USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 HIS : no HD1:sc= -0.586 X(o=-1.4,f=-1.8) USER MOD Set 1.2: A 86 CYS SG : rot -130:sc= 0 USER MOD Set 1.3: A 98 HIS : no HD1:sc= -0.846 X(o=-1.4,f=-1.8) USER MOD Set 2.1: A 79 ASN : amide:sc= 1.13 K(o=1.1,f=-3.3!) USER MOD Set 2.2: A 97 MET CE :methyl 162:sc=-0.00532 (180deg=-0.0865) USER MOD Set 3.1: A 1 MET N :NH3+ -162:sc= 0.883 (180deg=-0.0792) USER MOD Set 3.2: A 8 HIS : no HE2:sc= -1.51 K(o=-0.63,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0666 K(o=-0.067,f=-0.85) USER MOD Single : A 6 THR OG1 : rot 28:sc= 0.39 USER MOD Single : A 10 GLN : amide:sc= -0.0903 X(o=-0.09,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 1.97 K(o=2,f=-0.088) USER MOD Single : A 20 GLN : amide:sc= 0.687 K(o=0.69,f=-0.16) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.13) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 31 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.9!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot -27:sc= 0.79 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.138 F(o=-1.4,f=-0.14) USER MOD Single : A 46 GLN : amide:sc= 0.743 K(o=0.74,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.379 X(o=-0.38,f=-0.51) USER MOD Single : A 58 CYS SG : rot -170:sc= -0.227 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.329 F(o=-1.4,f=-0.33) USER MOD Single : A 68 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.42) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -1.83 X(o=-1.8,f=-1.3) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0.231 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.351 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.05) USER MOD Single : A 100 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 1.88 K(o=1.9,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.364 -13.213 9.214 1.00 0.00 N ATOM 2 CA MET A 1 -8.770 -12.954 9.573 1.00 0.00 C ATOM 3 C MET A 1 -9.535 -12.515 8.333 1.00 0.00 C ATOM 4 O MET A 1 -9.041 -11.682 7.570 1.00 0.00 O ATOM 5 CB MET A 1 -8.914 -11.903 10.681 1.00 0.00 C ATOM 6 CG MET A 1 -8.273 -12.357 11.993 1.00 0.00 C ATOM 7 SD MET A 1 -8.964 -13.882 12.681 1.00 0.00 S ATOM 8 CE MET A 1 -10.514 -13.246 13.373 1.00 0.00 C ATOM 0 H1 MET A 1 -6.917 -13.791 9.955 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.325 -13.722 8.308 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.856 -12.310 9.126 1.00 0.00 H new ATOM 0 HA MET A 1 -9.186 -13.883 9.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.453 -10.970 10.357 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.971 -11.695 10.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.205 -12.499 11.830 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.380 -11.560 12.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.067 -14.062 13.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.293 -12.484 14.121 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.116 -12.809 12.576 1.00 0.00 H new ATOM 18 N GLY A 2 -10.735 -13.059 8.117 1.00 0.00 N ATOM 19 CA GLY A 2 -11.519 -12.780 6.921 1.00 0.00 C ATOM 20 C GLY A 2 -11.944 -11.320 6.817 1.00 0.00 C ATOM 21 O GLY A 2 -12.092 -10.619 7.827 1.00 0.00 O ATOM 0 H GLY A 2 -11.186 -13.703 8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.935 -13.047 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.407 -13.413 6.919 1.00 0.00 H new ATOM 25 N ALA A 3 -12.148 -10.893 5.573 1.00 0.00 N ATOM 26 CA ALA A 3 -12.667 -9.595 5.191 1.00 0.00 C ATOM 27 C ALA A 3 -13.384 -9.743 3.852 1.00 0.00 C ATOM 28 O ALA A 3 -13.144 -10.691 3.093 1.00 0.00 O ATOM 29 CB ALA A 3 -11.524 -8.583 5.046 1.00 0.00 C ATOM 0 H ALA A 3 -11.942 -11.480 4.765 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.353 -9.235 5.958 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.931 -7.613 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.999 -8.489 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.829 -8.926 4.280 1.00 0.00 H new ATOM 35 N GLY A 4 -14.199 -8.747 3.523 1.00 0.00 N ATOM 36 CA GLY A 4 -14.703 -8.516 2.184 1.00 0.00 C ATOM 37 C GLY A 4 -15.054 -7.036 2.075 1.00 0.00 C ATOM 38 O GLY A 4 -15.081 -6.311 3.078 1.00 0.00 O ATOM 0 H GLY A 4 -14.533 -8.063 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.954 -8.788 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.581 -9.133 1.993 1.00 0.00 H new ATOM 42 N GLN A 5 -15.251 -6.563 0.843 1.00 0.00 N ATOM 43 CA GLN A 5 -15.417 -5.188 0.352 1.00 0.00 C ATOM 44 C GLN A 5 -14.476 -4.087 0.892 1.00 0.00 C ATOM 45 O GLN A 5 -14.589 -2.908 0.544 1.00 0.00 O ATOM 46 CB GLN A 5 -16.870 -4.773 0.536 1.00 0.00 C ATOM 47 CG GLN A 5 -17.460 -4.778 1.956 1.00 0.00 C ATOM 48 CD GLN A 5 -18.741 -3.945 2.015 1.00 0.00 C ATOM 49 OE1 GLN A 5 -18.803 -2.851 1.463 1.00 0.00 O ATOM 50 NE2 GLN A 5 -19.783 -4.401 2.690 1.00 0.00 N ATOM 0 H GLN A 5 -15.305 -7.219 0.064 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.115 -5.252 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.980 -3.766 0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.483 -5.431 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.672 -5.802 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.729 -4.380 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.735 -5.310 3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.635 -3.844 2.751 1.00 0.00 H new ATOM 59 N THR A 6 -13.541 -4.523 1.709 1.00 0.00 N ATOM 60 CA THR A 6 -12.495 -3.829 2.440 1.00 0.00 C ATOM 61 C THR A 6 -11.345 -4.815 2.739 1.00 0.00 C ATOM 62 O THR A 6 -11.517 -6.032 2.574 1.00 0.00 O ATOM 63 CB THR A 6 -13.068 -3.193 3.728 1.00 0.00 C ATOM 64 OG1 THR A 6 -14.322 -3.731 4.148 1.00 0.00 O ATOM 65 CG2 THR A 6 -13.258 -1.695 3.495 1.00 0.00 C ATOM 0 H THR A 6 -13.489 -5.523 1.905 1.00 0.00 H new ATOM 0 HA THR A 6 -12.096 -3.015 1.836 1.00 0.00 H new ATOM 0 HB THR A 6 -12.347 -3.412 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 6 -14.395 -4.662 3.850 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.662 -1.235 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.297 -1.240 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.950 -1.540 2.667 1.00 0.00 H new ATOM 73 N PRO A 7 -10.159 -4.314 3.129 1.00 0.00 N ATOM 74 CA PRO A 7 -8.985 -5.126 3.458 1.00 0.00 C ATOM 75 C PRO A 7 -9.093 -5.755 4.868 1.00 0.00 C ATOM 76 O PRO A 7 -10.178 -5.808 5.446 1.00 0.00 O ATOM 77 CB PRO A 7 -7.804 -4.160 3.319 1.00 0.00 C ATOM 78 CG PRO A 7 -8.396 -2.837 3.791 1.00 0.00 C ATOM 79 CD PRO A 7 -9.822 -2.897 3.257 1.00 0.00 C ATOM 0 HA PRO A 7 -8.874 -5.987 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.956 -4.466 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.448 -4.100 2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.374 -2.748 4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.849 -1.983 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.511 -2.394 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.897 -2.392 2.294 1.00 0.00 H new ATOM 87 N HIS A 8 -7.972 -6.262 5.414 1.00 0.00 N ATOM 88 CA HIS A 8 -7.928 -7.014 6.669 1.00 0.00 C ATOM 89 C HIS A 8 -8.596 -6.219 7.805 1.00 0.00 C ATOM 90 O HIS A 8 -8.313 -5.030 7.952 1.00 0.00 O ATOM 91 CB HIS A 8 -6.454 -7.279 7.051 1.00 0.00 C ATOM 92 CG HIS A 8 -6.272 -8.382 8.065 1.00 0.00 C ATOM 93 ND1 HIS A 8 -6.110 -8.195 9.419 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.291 -9.734 7.828 1.00 0.00 C ATOM 95 CE1 HIS A 8 -6.094 -9.402 10.002 1.00 0.00 C ATOM 96 NE2 HIS A 8 -6.205 -10.368 9.073 1.00 0.00 N ATOM 0 H HIS A 8 -7.055 -6.155 4.981 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.463 -7.953 6.529 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.896 -7.532 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.021 -6.360 7.447 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -6.018 -7.297 9.894 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.359 -10.217 6.864 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -6.005 -9.574 11.065 1.00 0.00 H new ATOM 104 N PRO A 9 -9.307 -6.873 8.742 1.00 0.00 N ATOM 105 CA PRO A 9 -10.022 -6.210 9.837 1.00 0.00 C ATOM 106 C PRO A 9 -9.121 -5.612 10.929 1.00 0.00 C ATOM 107 O PRO A 9 -9.625 -5.219 11.979 1.00 0.00 O ATOM 108 CB PRO A 9 -10.968 -7.277 10.392 1.00 0.00 C ATOM 109 CG PRO A 9 -10.201 -8.569 10.139 1.00 0.00 C ATOM 110 CD PRO A 9 -9.606 -8.298 8.766 1.00 0.00 C ATOM 0 HA PRO A 9 -10.548 -5.333 9.460 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.170 -7.127 11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.930 -7.271 9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.433 -8.745 10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.854 -9.442 10.139 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.705 -8.890 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.307 -8.565 7.975 1.00 0.00 H new ATOM 118 N GLN A 10 -7.799 -5.634 10.729 1.00 0.00 N ATOM 119 CA GLN A 10 -6.805 -5.064 11.629 1.00 0.00 C ATOM 120 C GLN A 10 -5.877 -4.065 10.917 1.00 0.00 C ATOM 121 O GLN A 10 -5.074 -3.426 11.599 1.00 0.00 O ATOM 122 CB GLN A 10 -6.014 -6.169 12.339 1.00 0.00 C ATOM 123 CG GLN A 10 -6.899 -7.073 13.215 1.00 0.00 C ATOM 124 CD GLN A 10 -6.117 -7.763 14.334 1.00 0.00 C ATOM 125 OE1 GLN A 10 -6.627 -7.980 15.432 1.00 0.00 O ATOM 126 NE2 GLN A 10 -4.863 -8.115 14.130 1.00 0.00 N ATOM 0 H GLN A 10 -7.382 -6.066 9.904 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.342 -4.495 12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.505 -6.780 11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.242 -5.714 12.960 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.700 -6.476 13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.371 -7.829 12.588 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.425 -7.942 13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.330 -8.560 14.877 1.00 0.00 H new ATOM 135 N LEU A 11 -5.971 -3.905 9.588 1.00 0.00 N ATOM 136 CA LEU A 11 -5.341 -2.777 8.895 1.00 0.00 C ATOM 137 C LEU A 11 -5.809 -1.453 9.517 1.00 0.00 C ATOM 138 O LEU A 11 -6.932 -1.366 10.022 1.00 0.00 O ATOM 139 CB LEU A 11 -5.676 -2.887 7.396 1.00 0.00 C ATOM 140 CG LEU A 11 -5.245 -1.695 6.512 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.984 -2.222 5.099 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.316 -0.599 6.395 1.00 0.00 C ATOM 0 H LEU A 11 -6.477 -4.543 8.975 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.257 -2.801 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.207 -3.790 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.753 -3.017 7.294 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.364 -1.255 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.678 -1.398 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.193 -2.972 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.895 -2.672 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.945 0.206 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.221 -1.020 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.543 -0.205 7.386 1.00 0.00 H new ATOM 154 N ILE A 12 -4.968 -0.417 9.449 1.00 0.00 N ATOM 155 CA ILE A 12 -5.287 0.943 9.878 1.00 0.00 C ATOM 156 C ILE A 12 -4.960 1.844 8.691 1.00 0.00 C ATOM 157 O ILE A 12 -3.966 1.628 8.002 1.00 0.00 O ATOM 158 CB ILE A 12 -4.448 1.341 11.119 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.341 0.267 12.228 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.929 2.675 11.723 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.657 -0.046 12.937 1.00 0.00 C ATOM 0 H ILE A 12 -4.020 -0.506 9.083 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.334 1.033 10.169 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.439 1.451 10.723 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.952 -0.652 11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.614 0.599 12.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.318 2.923 12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.838 3.465 10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.971 2.582 12.028 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.488 -0.808 13.698 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.040 0.859 13.409 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.383 -0.412 12.211 1.00 0.00 H new ATOM 173 N TRP A 13 -5.785 2.850 8.436 1.00 0.00 N ATOM 174 CA TRP A 13 -5.538 3.798 7.364 1.00 0.00 C ATOM 175 C TRP A 13 -4.529 4.871 7.803 1.00 0.00 C ATOM 176 O TRP A 13 -4.357 5.115 9.001 1.00 0.00 O ATOM 177 CB TRP A 13 -6.885 4.386 6.946 1.00 0.00 C ATOM 178 CG TRP A 13 -7.904 3.356 6.545 1.00 0.00 C ATOM 179 CD1 TRP A 13 -9.010 3.008 7.245 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.887 2.482 5.373 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.731 2.069 6.530 1.00 0.00 N ATOM 182 CE2 TRP A 13 -9.084 1.709 5.369 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.978 2.262 4.315 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -9.398 0.812 4.337 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -7.291 1.379 3.261 1.00 0.00 C ATOM 186 CH2 TRP A 13 -8.500 0.662 3.267 1.00 0.00 C ATOM 0 H TRP A 13 -6.639 3.030 8.964 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.085 3.305 6.504 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.284 4.975 7.771 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.728 5.071 6.112 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -9.286 3.403 8.212 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.631 1.690 6.826 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -6.029 2.778 4.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -10.317 0.245 4.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -6.597 1.253 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.738 -0.003 2.450 1.00 0.00 H new ATOM 197 N PRO A 14 -3.887 5.560 6.846 1.00 0.00 N ATOM 198 CA PRO A 14 -3.880 5.212 5.433 1.00 0.00 C ATOM 199 C PRO A 14 -3.097 3.921 5.146 1.00 0.00 C ATOM 200 O PRO A 14 -2.393 3.412 6.024 1.00 0.00 O ATOM 201 CB PRO A 14 -3.227 6.370 4.732 1.00 0.00 C ATOM 202 CG PRO A 14 -2.310 6.979 5.779 1.00 0.00 C ATOM 203 CD PRO A 14 -3.045 6.719 7.090 1.00 0.00 C ATOM 0 HA PRO A 14 -4.898 5.028 5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.667 6.040 3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.966 7.091 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.325 6.511 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.158 8.045 5.608 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.343 6.529 7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.643 7.583 7.382 1.00 0.00 H new ATOM 211 N ALA A 15 -3.199 3.423 3.909 1.00 0.00 N ATOM 212 CA ALA A 15 -2.543 2.203 3.465 1.00 0.00 C ATOM 213 C ALA A 15 -1.920 2.373 2.081 1.00 0.00 C ATOM 214 O ALA A 15 -2.135 3.383 1.413 1.00 0.00 O ATOM 215 CB ALA A 15 -3.549 1.054 3.463 1.00 0.00 C ATOM 0 H ALA A 15 -3.753 3.871 3.179 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.734 1.975 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.057 0.140 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.939 0.910 4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.370 1.291 2.787 1.00 0.00 H new ATOM 221 N LEU A 16 -1.141 1.370 1.682 1.00 0.00 N ATOM 222 CA LEU A 16 -0.292 1.322 0.507 1.00 0.00 C ATOM 223 C LEU A 16 -0.349 -0.091 -0.061 1.00 0.00 C ATOM 224 O LEU A 16 0.252 -0.999 0.522 1.00 0.00 O ATOM 225 CB LEU A 16 1.151 1.683 0.908 1.00 0.00 C ATOM 226 CG LEU A 16 1.428 3.192 0.930 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.736 3.462 1.684 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.557 3.736 -0.496 1.00 0.00 C ATOM 0 H LEU A 16 -1.087 0.504 2.219 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.631 2.034 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.358 1.271 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.842 1.206 0.212 1.00 0.00 H new ATOM 0 HG LEU A 16 0.596 3.689 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.932 4.534 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.649 3.094 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.557 2.950 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.753 4.808 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.380 3.233 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.630 3.555 -1.040 1.00 0.00 H new ATOM 240 N LEU A 17 -1.094 -0.293 -1.150 1.00 0.00 N ATOM 241 CA LEU A 17 -1.113 -1.558 -1.896 1.00 0.00 C ATOM 242 C LEU A 17 0.106 -1.602 -2.827 1.00 0.00 C ATOM 243 O LEU A 17 0.597 -0.531 -3.204 1.00 0.00 O ATOM 244 CB LEU A 17 -2.416 -1.607 -2.716 1.00 0.00 C ATOM 245 CG LEU A 17 -2.732 -2.914 -3.467 1.00 0.00 C ATOM 246 CD1 LEU A 17 -3.325 -3.960 -2.529 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.719 -2.635 -4.603 1.00 0.00 C ATOM 0 H LEU A 17 -1.707 0.421 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.072 -2.413 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.246 -1.397 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.385 -0.798 -3.446 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.798 -3.303 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.538 -4.871 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.614 -4.180 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.248 -3.577 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.939 -3.563 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.641 -2.225 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.281 -1.918 -5.297 1.00 0.00 H new ATOM 259 N LYS A 18 0.595 -2.779 -3.248 1.00 0.00 N ATOM 260 CA LYS A 18 1.655 -2.849 -4.261 1.00 0.00 C ATOM 261 C LYS A 18 1.369 -3.947 -5.298 1.00 0.00 C ATOM 262 O LYS A 18 1.977 -5.022 -5.250 1.00 0.00 O ATOM 263 CB LYS A 18 3.008 -2.965 -3.523 1.00 0.00 C ATOM 264 CG LYS A 18 4.118 -2.194 -4.244 1.00 0.00 C ATOM 265 CD LYS A 18 4.766 -2.954 -5.395 1.00 0.00 C ATOM 266 CE LYS A 18 5.808 -3.959 -4.931 1.00 0.00 C ATOM 267 NZ LYS A 18 7.130 -3.344 -4.704 1.00 0.00 N ATOM 0 H LYS A 18 0.276 -3.685 -2.906 1.00 0.00 H new ATOM 0 HA LYS A 18 1.695 -1.942 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.902 -2.584 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.289 -4.015 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.706 -1.261 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.889 -1.929 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.993 -3.475 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.233 -2.242 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.468 -4.430 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.902 -4.749 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.802 -4.072 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.471 -2.917 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.050 -2.608 -3.973 1.00 0.00 H new ATOM 281 N GLN A 19 0.466 -3.670 -6.254 1.00 0.00 N ATOM 282 CA GLN A 19 -0.106 -4.622 -7.204 1.00 0.00 C ATOM 283 C GLN A 19 0.978 -5.504 -7.812 1.00 0.00 C ATOM 284 O GLN A 19 1.932 -4.996 -8.400 1.00 0.00 O ATOM 285 CB GLN A 19 -0.890 -3.896 -8.303 1.00 0.00 C ATOM 286 CG GLN A 19 -2.184 -3.285 -7.769 1.00 0.00 C ATOM 287 CD GLN A 19 -3.433 -3.933 -8.327 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.005 -3.461 -9.302 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.880 -5.015 -7.729 1.00 0.00 N ATOM 0 H GLN A 19 0.101 -2.727 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.799 -5.262 -6.658 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.269 -3.111 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.123 -4.596 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.195 -3.369 -6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.199 -2.221 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.387 -5.390 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.720 -5.479 -8.075 1.00 0.00 H new ATOM 298 N GLN A 20 0.875 -6.814 -7.615 1.00 0.00 N ATOM 299 CA GLN A 20 1.962 -7.729 -7.848 1.00 0.00 C ATOM 300 C GLN A 20 2.231 -7.866 -9.348 1.00 0.00 C ATOM 301 O GLN A 20 1.515 -8.587 -10.051 1.00 0.00 O ATOM 302 CB GLN A 20 1.653 -9.034 -7.108 1.00 0.00 C ATOM 303 CG GLN A 20 2.920 -9.841 -6.877 1.00 0.00 C ATOM 304 CD GLN A 20 3.249 -10.715 -8.070 1.00 0.00 C ATOM 305 OE1 GLN A 20 4.164 -10.421 -8.841 1.00 0.00 O ATOM 306 NE2 GLN A 20 2.521 -11.804 -8.240 1.00 0.00 N ATOM 0 H GLN A 20 0.021 -7.265 -7.286 1.00 0.00 H new ATOM 0 HA GLN A 20 2.904 -7.360 -7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.180 -8.811 -6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.942 -9.624 -7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.752 -9.165 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.799 -10.464 -5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.770 -12.022 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.710 -12.427 -9.026 1.00 0.00 H new ATOM 315 N GLY A 21 3.247 -7.145 -9.826 1.00 0.00 N ATOM 316 CA GLY A 21 3.641 -6.973 -11.217 1.00 0.00 C ATOM 317 C GLY A 21 3.884 -5.488 -11.503 1.00 0.00 C ATOM 318 O GLY A 21 4.919 -5.149 -12.075 1.00 0.00 O ATOM 0 H GLY A 21 3.861 -6.627 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.545 -7.546 -11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.863 -7.358 -11.876 1.00 0.00 H new ATOM 322 N CYS A 22 2.965 -4.617 -11.075 1.00 0.00 N ATOM 323 CA CYS A 22 2.883 -3.197 -11.415 1.00 0.00 C ATOM 324 C CYS A 22 4.012 -2.346 -10.838 1.00 0.00 C ATOM 325 O CYS A 22 4.423 -1.374 -11.461 1.00 0.00 O ATOM 326 CB CYS A 22 1.546 -2.675 -10.867 1.00 0.00 C ATOM 327 SG CYS A 22 0.155 -3.326 -11.830 1.00 0.00 S ATOM 0 H CYS A 22 2.215 -4.903 -10.445 1.00 0.00 H new ATOM 0 HA CYS A 22 2.967 -3.114 -12.499 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.438 -2.966 -9.822 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.536 -1.585 -10.897 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.961 -2.870 -11.343 1.00 0.00 H new ATOM 333 N ASN A 23 4.526 -2.667 -9.649 1.00 0.00 N ATOM 334 CA ASN A 23 5.562 -1.933 -8.895 1.00 0.00 C ATOM 335 C ASN A 23 5.107 -0.576 -8.351 1.00 0.00 C ATOM 336 O ASN A 23 5.635 -0.116 -7.337 1.00 0.00 O ATOM 337 CB ASN A 23 6.853 -1.734 -9.698 1.00 0.00 C ATOM 338 CG ASN A 23 7.178 -2.961 -10.511 1.00 0.00 C ATOM 339 OD1 ASN A 23 7.648 -3.962 -9.968 1.00 0.00 O ATOM 340 ND2 ASN A 23 6.871 -2.927 -11.792 1.00 0.00 N ATOM 0 H ASN A 23 4.214 -3.499 -9.149 1.00 0.00 H new ATOM 0 HA ASN A 23 5.759 -2.584 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.746 -0.874 -10.359 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.677 -1.514 -9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.021 -3.751 -12.374 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.484 -2.077 -12.201 1.00 0.00 H new ATOM 347 N GLU A 24 4.137 0.055 -9.003 1.00 0.00 N ATOM 348 CA GLU A 24 3.405 1.233 -8.578 1.00 0.00 C ATOM 349 C GLU A 24 2.832 1.003 -7.174 1.00 0.00 C ATOM 350 O GLU A 24 2.027 0.097 -6.968 1.00 0.00 O ATOM 351 CB GLU A 24 2.277 1.459 -9.591 1.00 0.00 C ATOM 352 CG GLU A 24 1.557 2.801 -9.380 1.00 0.00 C ATOM 353 CD GLU A 24 0.067 2.778 -9.757 1.00 0.00 C ATOM 354 OE1 GLU A 24 -0.404 1.742 -10.280 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.618 3.777 -9.451 1.00 0.00 O ATOM 0 H GLU A 24 3.820 -0.274 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 24 4.054 2.108 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.687 1.425 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.555 0.646 -9.513 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.652 3.092 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.059 3.567 -9.971 1.00 0.00 H new ATOM 362 N LEU A 25 3.251 1.771 -6.176 1.00 0.00 N ATOM 363 CA LEU A 25 2.592 1.802 -4.875 1.00 0.00 C ATOM 364 C LEU A 25 1.284 2.560 -5.059 1.00 0.00 C ATOM 365 O LEU A 25 1.287 3.600 -5.713 1.00 0.00 O ATOM 366 CB LEU A 25 3.458 2.515 -3.820 1.00 0.00 C ATOM 367 CG LEU A 25 4.450 1.625 -3.046 1.00 0.00 C ATOM 368 CD1 LEU A 25 3.723 0.613 -2.159 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.483 0.921 -3.930 1.00 0.00 C ATOM 0 H LEU A 25 4.058 2.391 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 25 2.424 0.785 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.021 3.306 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.796 2.997 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 25 5.012 2.313 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.454 0.003 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.101 1.142 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.096 -0.029 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.142 0.316 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.971 0.280 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.072 1.666 -4.465 1.00 0.00 H new ATOM 381 N LEU A 26 0.217 2.043 -4.463 1.00 0.00 N ATOM 382 CA LEU A 26 -1.160 2.530 -4.532 1.00 0.00 C ATOM 383 C LEU A 26 -1.515 3.189 -3.193 1.00 0.00 C ATOM 384 O LEU A 26 -1.881 2.463 -2.258 1.00 0.00 O ATOM 385 CB LEU A 26 -2.165 1.424 -4.922 1.00 0.00 C ATOM 386 CG LEU A 26 -3.211 1.800 -5.981 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.058 2.999 -5.548 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.582 2.036 -7.356 1.00 0.00 C ATOM 0 H LEU A 26 0.294 1.213 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.231 3.270 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.603 0.564 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.689 1.105 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.878 0.943 -6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.785 3.231 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.581 2.759 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.412 3.862 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.361 2.299 -8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.859 2.849 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.078 1.128 -7.686 1.00 0.00 H new ATOM 400 N PRO A 27 -1.237 4.484 -2.984 1.00 0.00 N ATOM 401 CA PRO A 27 -1.630 5.176 -1.762 1.00 0.00 C ATOM 402 C PRO A 27 -3.159 5.172 -1.633 1.00 0.00 C ATOM 403 O PRO A 27 -3.873 5.213 -2.636 1.00 0.00 O ATOM 404 CB PRO A 27 -1.074 6.594 -1.911 1.00 0.00 C ATOM 405 CG PRO A 27 -1.139 6.818 -3.414 1.00 0.00 C ATOM 406 CD PRO A 27 -0.794 5.449 -3.985 1.00 0.00 C ATOM 0 HA PRO A 27 -1.245 4.700 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.673 7.324 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.055 6.672 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.129 7.148 -3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.430 7.580 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.296 5.284 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.277 5.359 -4.169 1.00 0.00 H new ATOM 414 N LEU A 28 -3.667 5.123 -0.401 1.00 0.00 N ATOM 415 CA LEU A 28 -5.084 5.146 -0.072 1.00 0.00 C ATOM 416 C LEU A 28 -5.207 6.062 1.144 1.00 0.00 C ATOM 417 O LEU A 28 -4.629 5.727 2.181 1.00 0.00 O ATOM 418 CB LEU A 28 -5.577 3.715 0.249 1.00 0.00 C ATOM 419 CG LEU A 28 -5.491 2.741 -0.949 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.121 1.332 -0.493 1.00 0.00 C ATOM 421 CD2 LEU A 28 -6.798 2.724 -1.744 1.00 0.00 C ATOM 0 H LEU A 28 -3.073 5.064 0.426 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.695 5.509 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.988 3.314 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.611 3.765 0.591 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.699 3.102 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.069 0.671 -1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.152 1.354 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.878 0.963 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.707 2.030 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.614 2.406 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.006 3.724 -2.124 1.00 0.00 H new ATOM 433 N ARG A 29 -5.906 7.203 1.071 1.00 0.00 N ATOM 434 CA ARG A 29 -5.992 8.195 2.161 1.00 0.00 C ATOM 435 C ARG A 29 -7.023 7.862 3.232 1.00 0.00 C ATOM 436 O ARG A 29 -6.740 8.066 4.411 1.00 0.00 O ATOM 437 CB ARG A 29 -6.387 9.578 1.602 1.00 0.00 C ATOM 438 CG ARG A 29 -5.370 10.312 0.711 1.00 0.00 C ATOM 439 CD ARG A 29 -6.147 11.075 -0.375 1.00 0.00 C ATOM 440 NE ARG A 29 -5.315 11.956 -1.211 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.023 13.250 -1.015 1.00 0.00 C ATOM 442 NH1 ARG A 29 -5.251 13.842 0.155 1.00 0.00 N ATOM 443 NH2 ARG A 29 -4.493 13.955 -2.011 1.00 0.00 N ATOM 0 H ARG A 29 -6.437 7.470 0.242 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.000 8.189 2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.307 9.457 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.620 10.226 2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.771 11.002 1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.680 9.601 0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.652 10.354 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.923 11.674 0.103 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.910 11.528 -2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.656 13.310 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.021 14.828 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.313 13.510 -2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.266 14.940 -1.874 1.00 0.00 H new ATOM 457 N THR A 30 -8.200 7.343 2.894 1.00 0.00 N ATOM 458 CA THR A 30 -9.098 6.759 3.891 1.00 0.00 C ATOM 459 C THR A 30 -9.841 5.587 3.257 1.00 0.00 C ATOM 460 O THR A 30 -9.622 5.251 2.094 1.00 0.00 O ATOM 461 CB THR A 30 -9.978 7.836 4.559 1.00 0.00 C ATOM 462 OG1 THR A 30 -10.615 7.308 5.702 1.00 0.00 O ATOM 463 CG2 THR A 30 -11.006 8.493 3.635 1.00 0.00 C ATOM 0 H THR A 30 -8.556 7.314 1.939 1.00 0.00 H new ATOM 0 HA THR A 30 -8.538 6.344 4.729 1.00 0.00 H new ATOM 0 HB THR A 30 -9.291 8.634 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.169 8.002 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.576 9.235 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.492 8.979 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.684 7.733 3.246 1.00 0.00 H new ATOM 471 N ASN A 31 -10.747 4.981 4.017 1.00 0.00 N ATOM 472 CA ASN A 31 -11.561 3.832 3.642 1.00 0.00 C ATOM 473 C ASN A 31 -12.394 4.087 2.375 1.00 0.00 C ATOM 474 O ASN A 31 -12.694 3.150 1.632 1.00 0.00 O ATOM 475 CB ASN A 31 -12.436 3.479 4.858 1.00 0.00 C ATOM 476 CG ASN A 31 -12.825 2.008 4.915 1.00 0.00 C ATOM 477 OD1 ASN A 31 -12.492 1.305 5.868 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.537 1.515 3.923 1.00 0.00 N ATOM 0 H ASN A 31 -10.944 5.298 4.966 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.920 2.990 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.900 3.741 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.341 4.086 4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.821 0.536 3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.804 2.113 3.141 1.00 0.00 H new ATOM 485 N ASP A 32 -12.711 5.354 2.086 1.00 0.00 N ATOM 486 CA ASP A 32 -13.387 5.772 0.851 1.00 0.00 C ATOM 487 C ASP A 32 -12.478 5.586 -0.369 1.00 0.00 C ATOM 488 O ASP A 32 -12.952 5.384 -1.483 1.00 0.00 O ATOM 489 CB ASP A 32 -13.767 7.265 0.882 1.00 0.00 C ATOM 490 CG ASP A 32 -14.632 7.711 2.058 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.541 6.965 2.491 1.00 0.00 O ATOM 492 OD2 ASP A 32 -14.364 8.824 2.563 1.00 0.00 O ATOM 0 H ASP A 32 -12.502 6.131 2.713 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.279 5.150 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.849 7.853 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.293 7.505 -0.042 1.00 0.00 H new ATOM 497 N ASP A 33 -11.162 5.690 -0.186 1.00 0.00 N ATOM 498 CA ASP A 33 -10.181 5.603 -1.266 1.00 0.00 C ATOM 499 C ASP A 33 -10.100 4.169 -1.800 1.00 0.00 C ATOM 500 O ASP A 33 -9.971 3.939 -3.002 1.00 0.00 O ATOM 501 CB ASP A 33 -8.821 6.131 -0.781 1.00 0.00 C ATOM 502 CG ASP A 33 -8.001 6.816 -1.878 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.395 6.801 -3.065 1.00 0.00 O ATOM 504 OD2 ASP A 33 -6.966 7.419 -1.514 1.00 0.00 O ATOM 0 H ASP A 33 -10.742 5.839 0.731 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.495 6.232 -2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.985 6.837 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.244 5.302 -0.372 1.00 0.00 H new ATOM 509 N TRP A 34 -10.293 3.186 -0.911 1.00 0.00 N ATOM 510 CA TRP A 34 -10.437 1.783 -1.293 1.00 0.00 C ATOM 511 C TRP A 34 -11.656 1.574 -2.210 1.00 0.00 C ATOM 512 O TRP A 34 -11.596 0.743 -3.121 1.00 0.00 O ATOM 513 CB TRP A 34 -10.476 0.922 -0.019 1.00 0.00 C ATOM 514 CG TRP A 34 -10.555 -0.575 -0.202 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.689 -1.299 -0.370 1.00 0.00 C ATOM 516 CD2 TRP A 34 -9.476 -1.560 -0.208 1.00 0.00 C ATOM 517 NE1 TRP A 34 -11.377 -2.638 -0.547 1.00 0.00 N ATOM 518 CE2 TRP A 34 -10.022 -2.856 -0.444 1.00 0.00 C ATOM 519 CE3 TRP A 34 -8.081 -1.485 -0.044 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -9.224 -4.009 -0.529 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -7.267 -2.626 -0.153 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.830 -3.890 -0.400 1.00 0.00 C ATOM 0 H TRP A 34 -10.353 3.346 0.095 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.578 1.466 -1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.584 1.144 0.567 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -11.334 1.236 0.575 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -12.689 -0.892 -0.366 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.064 -3.369 -0.730 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.625 -0.530 0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.677 -4.976 -0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.197 -2.530 -0.046 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.198 -4.761 -0.490 1.00 0.00 H new ATOM 533 N GLN A 35 -12.733 2.352 -2.029 1.00 0.00 N ATOM 534 CA GLN A 35 -13.889 2.315 -2.937 1.00 0.00 C ATOM 535 C GLN A 35 -13.517 2.840 -4.328 1.00 0.00 C ATOM 536 O GLN A 35 -13.924 2.244 -5.325 1.00 0.00 O ATOM 537 CB GLN A 35 -15.097 3.122 -2.428 1.00 0.00 C ATOM 538 CG GLN A 35 -15.692 2.671 -1.090 1.00 0.00 C ATOM 539 CD GLN A 35 -16.922 1.787 -1.273 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.831 0.594 -1.568 1.00 0.00 O ATOM 541 NE2 GLN A 35 -18.121 2.342 -1.155 1.00 0.00 N ATOM 0 H GLN A 35 -12.828 3.016 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.176 1.265 -2.985 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.798 4.166 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.881 3.080 -3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.936 2.126 -0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.961 3.547 -0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -18.204 3.329 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.960 1.782 -1.308 1.00 0.00 H new ATOM 550 N ARG A 36 -12.751 3.940 -4.427 1.00 0.00 N ATOM 551 CA ARG A 36 -12.353 4.496 -5.728 1.00 0.00 C ATOM 552 C ARG A 36 -11.677 3.422 -6.577 1.00 0.00 C ATOM 553 O ARG A 36 -12.007 3.267 -7.751 1.00 0.00 O ATOM 554 CB ARG A 36 -11.405 5.698 -5.571 1.00 0.00 C ATOM 555 CG ARG A 36 -12.087 7.058 -5.408 1.00 0.00 C ATOM 556 CD ARG A 36 -12.659 7.306 -4.008 1.00 0.00 C ATOM 557 NE ARG A 36 -12.925 8.739 -3.811 1.00 0.00 N ATOM 558 CZ ARG A 36 -13.938 9.423 -4.347 1.00 0.00 C ATOM 559 NH1 ARG A 36 -14.972 8.797 -4.896 1.00 0.00 N ATOM 560 NH2 ARG A 36 -13.900 10.746 -4.337 1.00 0.00 N ATOM 0 H ARG A 36 -12.397 4.459 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.260 4.842 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.767 5.525 -4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.753 5.740 -6.443 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.368 7.843 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.893 7.138 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.580 6.737 -3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.957 6.953 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.279 9.255 -3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.001 7.778 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.738 9.335 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.103 11.230 -3.923 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.667 11.281 -4.743 1.00 0.00 H new ATOM 574 N PHE A 37 -10.780 2.639 -5.977 1.00 0.00 N ATOM 575 CA PHE A 37 -10.101 1.567 -6.688 1.00 0.00 C ATOM 576 C PHE A 37 -11.108 0.574 -7.263 1.00 0.00 C ATOM 577 O PHE A 37 -11.004 0.215 -8.428 1.00 0.00 O ATOM 578 CB PHE A 37 -9.173 0.841 -5.713 1.00 0.00 C ATOM 579 CG PHE A 37 -8.258 -0.216 -6.306 1.00 0.00 C ATOM 580 CD1 PHE A 37 -8.791 -1.441 -6.757 1.00 0.00 C ATOM 581 CD2 PHE A 37 -6.864 -0.018 -6.322 1.00 0.00 C ATOM 582 CE1 PHE A 37 -7.944 -2.433 -7.275 1.00 0.00 C ATOM 583 CE2 PHE A 37 -6.023 -1.005 -6.864 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.565 -2.207 -7.345 1.00 0.00 C ATOM 0 H PHE A 37 -10.510 2.731 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.530 1.994 -7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.554 1.586 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.787 0.369 -4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.855 -1.617 -6.704 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.442 0.891 -5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.356 -3.370 -7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.957 -0.838 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.916 -2.959 -7.770 1.00 0.00 H new ATOM 594 N CYS A 38 -12.065 0.058 -6.489 1.00 0.00 N ATOM 595 CA CYS A 38 -12.992 -0.945 -7.016 1.00 0.00 C ATOM 596 C CYS A 38 -14.033 -0.364 -7.969 1.00 0.00 C ATOM 597 O CYS A 38 -14.653 -1.127 -8.705 1.00 0.00 O ATOM 598 CB CYS A 38 -13.607 -1.720 -5.859 1.00 0.00 C ATOM 599 SG CYS A 38 -14.852 -0.782 -4.940 1.00 0.00 S ATOM 0 H CYS A 38 -12.217 0.312 -5.513 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.426 -1.641 -7.635 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -14.063 -2.632 -6.245 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -12.815 -2.024 -5.175 1.00 0.00 H new ATOM 0 HG CYS A 38 -14.595 0.489 -5.035 1.00 0.00 H new ATOM 605 N ALA A 39 -14.176 0.957 -7.991 1.00 0.00 N ATOM 606 CA ALA A 39 -14.906 1.660 -9.033 1.00 0.00 C ATOM 607 C ALA A 39 -14.138 1.634 -10.359 1.00 0.00 C ATOM 608 O ALA A 39 -14.796 1.576 -11.399 1.00 0.00 O ATOM 609 CB ALA A 39 -15.217 3.103 -8.615 1.00 0.00 C ATOM 0 H ALA A 39 -13.784 1.573 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.853 1.140 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.763 3.604 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.824 3.097 -7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.285 3.635 -8.424 1.00 0.00 H new ATOM 615 N ASP A 40 -12.794 1.682 -10.371 1.00 0.00 N ATOM 616 CA ASP A 40 -12.036 1.938 -11.616 1.00 0.00 C ATOM 617 C ASP A 40 -11.047 0.851 -12.047 1.00 0.00 C ATOM 618 O ASP A 40 -10.615 0.767 -13.194 1.00 0.00 O ATOM 619 CB ASP A 40 -11.299 3.287 -11.531 1.00 0.00 C ATOM 620 CG ASP A 40 -11.285 3.997 -12.892 1.00 0.00 C ATOM 621 OD1 ASP A 40 -12.312 3.967 -13.616 1.00 0.00 O ATOM 622 OD2 ASP A 40 -10.243 4.559 -13.287 1.00 0.00 O ATOM 0 H ASP A 40 -12.212 1.549 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.805 1.946 -12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.784 3.923 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.276 3.125 -11.192 1.00 0.00 H new ATOM 627 N SER A 41 -10.746 -0.027 -11.111 1.00 0.00 N ATOM 628 CA SER A 41 -9.794 -1.133 -11.134 1.00 0.00 C ATOM 629 C SER A 41 -10.400 -2.359 -10.449 1.00 0.00 C ATOM 630 O SER A 41 -9.705 -3.341 -10.189 1.00 0.00 O ATOM 631 CB SER A 41 -8.468 -0.683 -10.502 1.00 0.00 C ATOM 632 OG SER A 41 -7.932 0.437 -11.193 1.00 0.00 O ATOM 0 H SER A 41 -11.216 0.019 -10.207 1.00 0.00 H new ATOM 0 HA SER A 41 -9.576 -1.426 -12.161 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.628 -0.427 -9.455 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.753 -1.505 -10.523 1.00 0.00 H new ATOM 0 HG SER A 41 -7.089 0.708 -10.773 1.00 0.00 H new ATOM 638 N LYS A 42 -11.712 -2.331 -10.170 1.00 0.00 N ATOM 639 CA LYS A 42 -12.587 -3.471 -9.886 1.00 0.00 C ATOM 640 C LYS A 42 -11.980 -4.474 -8.911 1.00 0.00 C ATOM 641 O LYS A 42 -12.146 -5.679 -9.080 1.00 0.00 O ATOM 642 CB LYS A 42 -13.088 -4.061 -11.208 1.00 0.00 C ATOM 643 CG LYS A 42 -14.549 -4.549 -11.194 1.00 0.00 C ATOM 644 CD LYS A 42 -14.921 -5.647 -10.186 1.00 0.00 C ATOM 645 CE LYS A 42 -14.263 -6.998 -10.493 1.00 0.00 C ATOM 646 NZ LYS A 42 -14.990 -7.771 -11.517 1.00 0.00 N ATOM 0 H LYS A 42 -12.222 -1.448 -10.135 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.463 -3.124 -9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.980 -3.307 -11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.445 -4.897 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.189 -3.688 -11.004 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.792 -4.913 -12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.629 -5.327 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.004 -5.771 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.240 -6.830 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.204 -7.584 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.500 -8.673 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.959 -7.958 -11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.024 -7.227 -12.403 1.00 0.00 H new ATOM 660 N HIS A 43 -11.267 -3.969 -7.911 1.00 0.00 N ATOM 661 CA HIS A 43 -10.621 -4.756 -6.859 1.00 0.00 C ATOM 662 C HIS A 43 -9.799 -5.934 -7.393 1.00 0.00 C ATOM 663 O HIS A 43 -9.685 -6.968 -6.727 1.00 0.00 O ATOM 664 CB HIS A 43 -11.576 -5.089 -5.702 1.00 0.00 C ATOM 665 CG HIS A 43 -12.701 -6.078 -5.951 1.00 0.00 C ATOM 666 ND1 HIS A 43 -12.669 -7.198 -6.737 1.00 0.00 N flip ATOM 667 CD2 HIS A 43 -13.923 -6.069 -5.319 1.00 0.00 C flip ATOM 668 CE1 HIS A 43 -13.879 -7.880 -6.589 1.00 0.00 C flip ATOM 669 NE2 HIS A 43 -14.603 -7.161 -5.714 1.00 0.00 N flip ATOM 0 H HIS A 43 -11.116 -2.966 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 43 -9.865 -4.113 -6.408 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.976 -5.471 -4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.025 -4.155 -5.364 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -14.275 -5.318 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -14.173 -8.797 -7.078 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.539 -7.409 -5.394 1.00 0.00 H new ATOM 677 N LEU A 44 -9.246 -5.792 -8.602 1.00 0.00 N ATOM 678 CA LEU A 44 -8.203 -6.683 -9.062 1.00 0.00 C ATOM 679 C LEU A 44 -7.120 -6.644 -8.002 1.00 0.00 C ATOM 680 O LEU A 44 -6.574 -5.582 -7.722 1.00 0.00 O ATOM 681 CB LEU A 44 -7.657 -6.294 -10.436 1.00 0.00 C ATOM 682 CG LEU A 44 -8.094 -7.315 -11.496 1.00 0.00 C ATOM 683 CD1 LEU A 44 -7.595 -6.822 -12.843 1.00 0.00 C ATOM 684 CD2 LEU A 44 -7.529 -8.719 -11.233 1.00 0.00 C ATOM 0 H LEU A 44 -9.510 -5.068 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.597 -7.690 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.015 -5.301 -10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.569 -6.241 -10.400 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.180 -7.399 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.890 -7.527 -13.620 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.028 -5.845 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.508 -6.740 -12.821 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.870 -9.400 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.440 -8.679 -11.236 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.876 -9.075 -10.263 1.00 0.00 H new ATOM 696 N LEU A 45 -6.878 -7.774 -7.357 1.00 0.00 N ATOM 697 CA LEU A 45 -5.941 -7.963 -6.266 1.00 0.00 C ATOM 698 C LEU A 45 -5.393 -9.351 -6.553 1.00 0.00 C ATOM 699 O LEU A 45 -6.187 -10.299 -6.644 1.00 0.00 O ATOM 700 CB LEU A 45 -6.676 -7.906 -4.908 1.00 0.00 C ATOM 701 CG LEU A 45 -7.219 -6.515 -4.510 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.062 -6.621 -3.232 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.103 -5.480 -4.339 1.00 0.00 C ATOM 0 H LEU A 45 -7.363 -8.638 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.164 -7.201 -6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.508 -8.609 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.994 -8.248 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.850 -6.166 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.439 -5.635 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.901 -7.295 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.446 -7.009 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.537 -4.520 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.418 -5.810 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.559 -5.373 -5.278 1.00 0.00 H new ATOM 715 N GLN A 46 -4.087 -9.451 -6.795 1.00 0.00 N ATOM 716 CA GLN A 46 -3.460 -10.672 -7.276 1.00 0.00 C ATOM 717 C GLN A 46 -2.438 -11.172 -6.257 1.00 0.00 C ATOM 718 O GLN A 46 -2.057 -10.435 -5.343 1.00 0.00 O ATOM 719 CB GLN A 46 -2.989 -10.458 -8.707 1.00 0.00 C ATOM 720 CG GLN A 46 -1.690 -9.684 -8.835 1.00 0.00 C ATOM 721 CD GLN A 46 -1.854 -8.501 -9.783 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.730 -8.635 -11.001 1.00 0.00 O ATOM 723 NE2 GLN A 46 -2.193 -7.331 -9.267 1.00 0.00 N ATOM 0 H GLN A 46 -3.433 -8.680 -6.661 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.159 -11.505 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.866 -11.430 -9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.768 -9.929 -9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.376 -9.328 -7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.904 -10.343 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.294 -7.229 -8.257 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.354 -6.531 -9.879 1.00 0.00 H new ATOM 732 N TYR A 47 -2.064 -12.451 -6.341 1.00 0.00 N ATOM 733 CA TYR A 47 -1.367 -13.084 -5.230 1.00 0.00 C ATOM 734 C TYR A 47 -0.009 -12.438 -5.056 1.00 0.00 C ATOM 735 O TYR A 47 0.767 -12.333 -6.013 1.00 0.00 O ATOM 736 CB TYR A 47 -1.279 -14.602 -5.402 1.00 0.00 C ATOM 737 CG TYR A 47 -2.625 -15.263 -5.635 1.00 0.00 C ATOM 738 CD1 TYR A 47 -3.742 -14.892 -4.857 1.00 0.00 C ATOM 739 CD2 TYR A 47 -2.770 -16.225 -6.653 1.00 0.00 C ATOM 740 CE1 TYR A 47 -5.009 -15.422 -5.138 1.00 0.00 C ATOM 741 CE2 TYR A 47 -4.026 -16.807 -6.895 1.00 0.00 C ATOM 742 CZ TYR A 47 -5.151 -16.396 -6.146 1.00 0.00 C ATOM 743 OH TYR A 47 -6.365 -16.954 -6.370 1.00 0.00 O ATOM 0 H TYR A 47 -2.229 -13.053 -7.148 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.939 -12.927 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.622 -14.827 -6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.820 -15.035 -4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.620 -14.196 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.916 -16.515 -7.247 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.873 -15.085 -4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.131 -17.568 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.296 -17.606 -7.098 1.00 0.00 H new ATOM 753 N GLY A 48 0.228 -11.942 -3.841 1.00 0.00 N ATOM 754 CA GLY A 48 1.448 -11.231 -3.515 1.00 0.00 C ATOM 755 C GLY A 48 1.275 -9.711 -3.432 1.00 0.00 C ATOM 756 O GLY A 48 2.267 -9.035 -3.153 1.00 0.00 O ATOM 0 H GLY A 48 -0.424 -12.026 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.827 -11.597 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.203 -11.461 -4.267 1.00 0.00 H new ATOM 760 N ASP A 49 0.055 -9.185 -3.642 1.00 0.00 N ATOM 761 CA ASP A 49 -0.244 -7.756 -3.854 1.00 0.00 C ATOM 762 C ASP A 49 0.260 -6.847 -2.732 1.00 0.00 C ATOM 763 O ASP A 49 0.628 -5.705 -2.968 1.00 0.00 O ATOM 764 CB ASP A 49 -1.763 -7.561 -4.011 1.00 0.00 C ATOM 765 CG ASP A 49 -2.142 -6.936 -5.352 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.753 -7.448 -6.426 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.903 -5.952 -5.352 1.00 0.00 O ATOM 0 H ASP A 49 -0.783 -9.766 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 49 0.287 -7.466 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.261 -8.525 -3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.129 -6.927 -3.203 1.00 0.00 H new ATOM 772 N LYS A 50 0.329 -7.385 -1.514 1.00 0.00 N ATOM 773 CA LYS A 50 0.764 -6.763 -0.263 1.00 0.00 C ATOM 774 C LYS A 50 0.029 -5.483 0.105 1.00 0.00 C ATOM 775 O LYS A 50 -0.529 -4.772 -0.719 1.00 0.00 O ATOM 776 CB LYS A 50 2.277 -6.551 -0.255 1.00 0.00 C ATOM 777 CG LYS A 50 2.948 -6.036 1.039 1.00 0.00 C ATOM 778 CD LYS A 50 4.399 -6.509 1.180 1.00 0.00 C ATOM 779 CE LYS A 50 4.453 -7.982 1.602 1.00 0.00 C ATOM 780 NZ LYS A 50 5.810 -8.541 1.469 1.00 0.00 N ATOM 0 H LYS A 50 0.057 -8.357 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 50 0.495 -7.475 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.745 -7.501 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.517 -5.849 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.923 -4.946 1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.374 -6.375 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.923 -6.378 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.916 -5.895 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.121 -8.076 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.760 -8.561 0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.805 -9.538 1.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.117 -8.475 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.467 -8.005 2.072 1.00 0.00 H new ATOM 794 N LEU A 51 0.018 -5.201 1.399 1.00 0.00 N ATOM 795 CA LEU A 51 -0.525 -3.986 1.949 1.00 0.00 C ATOM 796 C LEU A 51 0.372 -3.545 3.099 1.00 0.00 C ATOM 797 O LEU A 51 0.866 -4.395 3.855 1.00 0.00 O ATOM 798 CB LEU A 51 -1.972 -4.258 2.417 1.00 0.00 C ATOM 799 CG LEU A 51 -3.038 -3.862 1.382 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.401 -4.418 1.800 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.146 -2.348 1.197 1.00 0.00 C ATOM 0 H LEU A 51 0.397 -5.831 2.106 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.557 -3.186 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.077 -5.318 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.155 -3.711 3.342 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.728 -4.289 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.152 -4.134 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.347 -5.505 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.677 -4.012 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.913 -2.126 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.413 -1.884 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.188 -1.954 0.857 1.00 0.00 H new ATOM 813 N VAL A 52 0.593 -2.230 3.208 1.00 0.00 N ATOM 814 CA VAL A 52 1.375 -1.588 4.266 1.00 0.00 C ATOM 815 C VAL A 52 0.588 -0.367 4.783 1.00 0.00 C ATOM 816 O VAL A 52 0.175 0.498 4.021 1.00 0.00 O ATOM 817 CB VAL A 52 2.802 -1.259 3.758 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.665 -0.505 4.783 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.559 -2.549 3.386 1.00 0.00 C ATOM 0 H VAL A 52 0.217 -1.561 2.536 1.00 0.00 H new ATOM 0 HA VAL A 52 1.522 -2.258 5.113 1.00 0.00 H new ATOM 0 HB VAL A 52 2.650 -0.616 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.649 -0.310 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.186 0.440 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.773 -1.110 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.558 -2.295 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.637 -3.191 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.018 -3.074 2.599 1.00 0.00 H new ATOM 829 N ASP A 53 0.268 -0.352 6.073 1.00 0.00 N ATOM 830 CA ASP A 53 -0.434 0.628 6.893 1.00 0.00 C ATOM 831 C ASP A 53 0.547 1.483 7.692 1.00 0.00 C ATOM 832 O ASP A 53 1.742 1.197 7.788 1.00 0.00 O ATOM 833 CB ASP A 53 -1.382 -0.088 7.887 1.00 0.00 C ATOM 834 CG ASP A 53 -0.750 -1.118 8.832 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.454 -1.014 9.156 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.455 -2.081 9.196 1.00 0.00 O ATOM 0 H ASP A 53 0.537 -1.148 6.651 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.005 1.269 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.873 0.672 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.161 -0.589 7.312 1.00 0.00 H new ATOM 841 N SER A 54 -0.002 2.494 8.363 1.00 0.00 N ATOM 842 CA SER A 54 0.698 3.392 9.286 1.00 0.00 C ATOM 843 C SER A 54 1.366 2.688 10.487 1.00 0.00 C ATOM 844 O SER A 54 1.883 3.374 11.371 1.00 0.00 O ATOM 845 CB SER A 54 -0.303 4.440 9.799 1.00 0.00 C ATOM 846 OG SER A 54 0.210 5.752 9.715 1.00 0.00 O ATOM 0 H SER A 54 -0.992 2.722 8.275 1.00 0.00 H new ATOM 0 HA SER A 54 1.513 3.845 8.722 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.224 4.374 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.561 4.218 10.835 1.00 0.00 H new ATOM 0 HG SER A 54 -0.458 6.386 10.049 1.00 0.00 H new ATOM 852 N ASN A 55 1.322 1.357 10.588 1.00 0.00 N ATOM 853 CA ASN A 55 1.804 0.567 11.718 1.00 0.00 C ATOM 854 C ASN A 55 2.840 -0.462 11.253 1.00 0.00 C ATOM 855 O ASN A 55 3.314 -1.254 12.067 1.00 0.00 O ATOM 856 CB ASN A 55 0.633 -0.117 12.436 1.00 0.00 C ATOM 857 CG ASN A 55 -0.388 0.849 13.013 1.00 0.00 C ATOM 858 OD1 ASN A 55 -0.470 1.074 14.215 1.00 0.00 O ATOM 859 ND2 ASN A 55 -1.221 1.449 12.183 1.00 0.00 N ATOM 0 H ASN A 55 0.930 0.776 9.847 1.00 0.00 H new ATOM 0 HA ASN A 55 2.289 1.238 12.427 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.131 -0.785 11.736 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.027 -0.737 13.241 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.925 2.093 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.161 1.268 11.181 1.00 0.00 H new ATOM 866 N PHE A 56 3.226 -0.429 9.969 1.00 0.00 N ATOM 867 CA PHE A 56 4.296 -1.219 9.371 1.00 0.00 C ATOM 868 C PHE A 56 4.036 -2.739 9.450 1.00 0.00 C ATOM 869 O PHE A 56 4.939 -3.527 9.190 1.00 0.00 O ATOM 870 CB PHE A 56 5.661 -0.740 9.898 1.00 0.00 C ATOM 871 CG PHE A 56 6.093 0.648 9.425 1.00 0.00 C ATOM 872 CD1 PHE A 56 5.384 1.818 9.782 1.00 0.00 C ATOM 873 CD2 PHE A 56 7.224 0.775 8.595 1.00 0.00 C ATOM 874 CE1 PHE A 56 5.807 3.083 9.335 1.00 0.00 C ATOM 875 CE2 PHE A 56 7.626 2.034 8.122 1.00 0.00 C ATOM 876 CZ PHE A 56 6.937 3.193 8.509 1.00 0.00 C ATOM 0 H PHE A 56 2.773 0.183 9.290 1.00 0.00 H new ATOM 0 HA PHE A 56 4.317 -1.043 8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.632 -0.742 10.988 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.421 -1.461 9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.506 1.740 10.406 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.787 -0.105 8.320 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.263 3.969 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 56 8.472 2.111 7.455 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.273 4.163 8.174 1.00 0.00 H new ATOM 886 N HIS A 57 2.804 -3.179 9.746 1.00 0.00 N ATOM 887 CA HIS A 57 2.331 -4.540 9.518 1.00 0.00 C ATOM 888 C HIS A 57 2.275 -4.821 8.020 1.00 0.00 C ATOM 889 O HIS A 57 1.403 -4.269 7.341 1.00 0.00 O ATOM 890 CB HIS A 57 0.914 -4.708 10.069 1.00 0.00 C ATOM 891 CG HIS A 57 0.669 -4.130 11.420 1.00 0.00 C ATOM 892 ND1 HIS A 57 -0.475 -3.459 11.774 1.00 0.00 N ATOM 893 CD2 HIS A 57 1.502 -4.195 12.497 1.00 0.00 C ATOM 894 CE1 HIS A 57 -0.364 -3.172 13.079 1.00 0.00 C ATOM 895 NE2 HIS A 57 0.808 -3.622 13.568 1.00 0.00 N ATOM 0 H HIS A 57 2.094 -2.576 10.162 1.00 0.00 H new ATOM 0 HA HIS A 57 3.016 -5.225 10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.216 -4.252 9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.682 -5.772 10.103 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.257 -3.224 11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.500 -4.607 12.519 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.112 -2.651 13.659 1.00 0.00 H new ATOM 903 N CYS A 58 3.152 -5.652 7.469 1.00 0.00 N ATOM 904 CA CYS A 58 2.897 -6.121 6.120 1.00 0.00 C ATOM 905 C CYS A 58 1.739 -7.112 6.165 1.00 0.00 C ATOM 906 O CYS A 58 1.676 -7.974 7.047 1.00 0.00 O ATOM 907 CB CYS A 58 4.155 -6.758 5.526 1.00 0.00 C ATOM 908 SG CYS A 58 5.440 -5.496 5.317 1.00 0.00 S ATOM 0 H CYS A 58 4.003 -5.999 7.911 1.00 0.00 H new ATOM 0 HA CYS A 58 2.628 -5.284 5.476 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.515 -7.552 6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.923 -7.217 4.565 1.00 0.00 H new ATOM 0 HG CYS A 58 6.424 -5.989 4.625 1.00 0.00 H new ATOM 914 N PHE A 59 0.865 -7.029 5.168 1.00 0.00 N ATOM 915 CA PHE A 59 -0.124 -8.051 4.860 1.00 0.00 C ATOM 916 C PHE A 59 0.039 -8.466 3.413 1.00 0.00 C ATOM 917 O PHE A 59 0.575 -7.676 2.652 1.00 0.00 O ATOM 918 CB PHE A 59 -1.536 -7.512 5.101 1.00 0.00 C ATOM 919 CG PHE A 59 -1.790 -7.157 6.548 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.715 -8.136 7.550 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.938 -5.812 6.906 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.734 -7.762 8.906 1.00 0.00 C ATOM 923 CE2 PHE A 59 -2.030 -5.443 8.260 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.890 -6.413 9.262 1.00 0.00 C ATOM 0 H PHE A 59 0.825 -6.229 4.537 1.00 0.00 H new ATOM 0 HA PHE A 59 0.026 -8.914 5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.693 -6.628 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.264 -8.258 4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.643 -9.179 7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.982 -5.054 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.628 -8.514 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.209 -4.412 8.528 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.902 -6.124 10.303 1.00 0.00 H new ATOM 934 N VAL A 60 -0.445 -9.629 2.985 1.00 0.00 N ATOM 935 CA VAL A 60 -0.493 -10.039 1.590 1.00 0.00 C ATOM 936 C VAL A 60 -1.651 -10.971 1.302 1.00 0.00 C ATOM 937 O VAL A 60 -2.137 -11.653 2.197 1.00 0.00 O ATOM 938 CB VAL A 60 0.889 -10.541 1.170 1.00 0.00 C ATOM 939 CG1 VAL A 60 1.632 -11.452 2.124 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.891 -11.267 -0.176 1.00 0.00 C ATOM 0 H VAL A 60 -0.825 -10.331 3.620 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.715 -9.184 0.952 1.00 0.00 H new ATOM 0 HB VAL A 60 1.414 -9.586 1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.594 -11.725 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.793 -10.935 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.044 -12.353 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.903 -11.595 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.232 -12.133 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.539 -10.590 -0.955 1.00 0.00 H new ATOM 950 N LEU A 61 -2.087 -10.939 0.047 1.00 0.00 N ATOM 951 CA LEU A 61 -3.204 -11.688 -0.486 1.00 0.00 C ATOM 952 C LEU A 61 -2.761 -13.124 -0.722 1.00 0.00 C ATOM 953 O LEU A 61 -1.729 -13.324 -1.371 1.00 0.00 O ATOM 954 CB LEU A 61 -3.621 -11.062 -1.823 1.00 0.00 C ATOM 955 CG LEU A 61 -4.902 -11.717 -2.384 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.145 -11.214 -1.643 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.052 -11.393 -3.864 1.00 0.00 C ATOM 0 H LEU A 61 -1.641 -10.355 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.042 -11.669 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.787 -9.993 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.811 -11.170 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.812 -12.794 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.033 -11.691 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.062 -11.460 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.225 -10.133 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.959 -11.860 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.117 -10.313 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.188 -11.774 -4.409 1.00 0.00 H new ATOM 969 N GLU A 62 -3.548 -14.094 -0.268 1.00 0.00 N ATOM 970 CA GLU A 62 -3.263 -15.514 -0.437 1.00 0.00 C ATOM 971 C GLU A 62 -4.179 -16.121 -1.503 1.00 0.00 C ATOM 972 O GLU A 62 -5.135 -15.472 -1.920 1.00 0.00 O ATOM 973 CB GLU A 62 -3.412 -16.264 0.877 1.00 0.00 C ATOM 974 CG GLU A 62 -2.509 -15.655 1.952 1.00 0.00 C ATOM 975 CD GLU A 62 -1.653 -16.700 2.675 1.00 0.00 C ATOM 976 OE1 GLU A 62 -2.212 -17.674 3.229 1.00 0.00 O ATOM 977 OE2 GLU A 62 -0.409 -16.575 2.683 1.00 0.00 O ATOM 0 H GLU A 62 -4.416 -13.912 0.236 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.229 -15.611 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.451 -16.230 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.158 -17.314 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.856 -14.913 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.125 -15.130 2.682 1.00 0.00 H new ATOM 984 N GLU A 63 -3.989 -17.391 -1.872 1.00 0.00 N ATOM 985 CA GLU A 63 -4.904 -18.118 -2.765 1.00 0.00 C ATOM 986 C GLU A 63 -6.270 -18.408 -2.117 1.00 0.00 C ATOM 987 O GLU A 63 -7.166 -18.963 -2.755 1.00 0.00 O ATOM 988 CB GLU A 63 -4.260 -19.404 -3.311 1.00 0.00 C ATOM 989 CG GLU A 63 -3.004 -19.091 -4.142 1.00 0.00 C ATOM 990 CD GLU A 63 -2.696 -20.086 -5.268 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.609 -20.700 -5.863 1.00 0.00 O ATOM 992 OE2 GLU A 63 -1.504 -20.189 -5.643 1.00 0.00 O ATOM 0 H GLU A 63 -3.194 -17.948 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.096 -17.454 -3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.996 -20.061 -2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.981 -19.941 -3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.115 -18.098 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.146 -19.050 -3.471 1.00 0.00 H new ATOM 999 N ASP A 64 -6.473 -18.038 -0.850 1.00 0.00 N ATOM 1000 CA ASP A 64 -7.807 -17.972 -0.245 1.00 0.00 C ATOM 1001 C ASP A 64 -8.495 -16.628 -0.508 1.00 0.00 C ATOM 1002 O ASP A 64 -9.597 -16.395 -0.017 1.00 0.00 O ATOM 1003 CB ASP A 64 -7.745 -18.294 1.263 1.00 0.00 C ATOM 1004 CG ASP A 64 -8.274 -19.693 1.594 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -9.032 -20.281 0.786 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -7.873 -20.236 2.644 1.00 0.00 O ATOM 0 H ASP A 64 -5.719 -17.776 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.420 -18.734 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.714 -18.210 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.325 -17.552 1.812 1.00 0.00 H new ATOM 1011 N ALA A 65 -7.837 -15.721 -1.238 1.00 0.00 N ATOM 1012 CA ALA A 65 -8.124 -14.296 -1.377 1.00 0.00 C ATOM 1013 C ALA A 65 -8.265 -13.556 -0.041 1.00 0.00 C ATOM 1014 O ALA A 65 -8.675 -12.389 -0.021 1.00 0.00 O ATOM 1015 CB ALA A 65 -9.317 -14.069 -2.302 1.00 0.00 C ATOM 0 H ALA A 65 -7.024 -15.991 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.246 -13.849 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.511 -13.000 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.097 -14.480 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.196 -14.565 -1.890 1.00 0.00 H new ATOM 1021 N HIS A 66 -7.941 -14.209 1.075 1.00 0.00 N ATOM 1022 CA HIS A 66 -7.781 -13.551 2.351 1.00 0.00 C ATOM 1023 C HIS A 66 -6.436 -12.851 2.392 1.00 0.00 C ATOM 1024 O HIS A 66 -5.597 -13.025 1.505 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.050 -14.513 3.513 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.031 -15.585 3.824 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -5.668 -15.545 3.646 1.00 0.00 N flip ATOM 1028 CD2 HIS A 66 -7.319 -16.738 4.524 1.00 0.00 C flip ATOM 1029 CE1 HIS A 66 -5.137 -16.654 4.309 1.00 0.00 C flip ATOM 1030 NE2 HIS A 66 -6.168 -17.374 4.778 1.00 0.00 N flip ATOM 0 H HIS A 66 -7.783 -15.216 1.109 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.533 -12.772 2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.183 -13.913 4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.001 -15.009 3.317 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.304 -17.071 4.817 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.089 -16.889 4.423 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.087 -18.271 5.256 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.209 -12.105 3.463 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.999 -11.356 3.684 1.00 0.00 C ATOM 1040 C TRP A 67 -4.296 -11.956 4.888 1.00 0.00 C ATOM 1041 O TRP A 67 -4.939 -12.306 5.882 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.353 -9.879 3.830 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.699 -9.253 2.516 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.904 -9.253 1.907 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.800 -8.588 1.594 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.792 -8.671 0.659 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.520 -8.194 0.433 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.439 -8.259 1.652 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.907 -7.498 -0.620 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.815 -7.579 0.601 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.545 -7.175 -0.526 1.00 0.00 C ATOM 0 H TRP A 67 -6.886 -12.007 4.219 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.305 -11.416 2.846 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.195 -9.774 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.512 -9.347 4.275 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.816 -9.648 2.331 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.557 -8.603 -0.012 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.862 -8.535 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.477 -7.214 -1.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.758 -7.363 0.658 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.062 -6.619 -1.316 1.00 0.00 H new ATOM 1062 N HIS A 68 -2.980 -12.113 4.788 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.135 -12.837 5.717 1.00 0.00 C ATOM 1064 C HIS A 68 -1.103 -11.897 6.343 1.00 0.00 C ATOM 1065 O HIS A 68 -0.609 -11.033 5.623 1.00 0.00 O ATOM 1066 CB HIS A 68 -1.438 -13.946 4.909 1.00 0.00 C ATOM 1067 CG HIS A 68 -0.235 -14.587 5.557 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -0.175 -15.830 6.144 1.00 0.00 N ATOM 1069 CD2 HIS A 68 1.034 -14.071 5.556 1.00 0.00 C ATOM 1070 CE1 HIS A 68 1.103 -16.042 6.505 1.00 0.00 C ATOM 1071 NE2 HIS A 68 1.875 -14.991 6.183 1.00 0.00 N ATOM 0 H HIS A 68 -2.450 -11.715 4.012 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.722 -13.261 6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.169 -14.726 4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.129 -13.529 3.950 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.331 -13.119 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.461 -16.938 6.990 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.874 -14.887 6.361 1.00 0.00 H new ATOM 1079 N PRO A 69 -0.728 -12.072 7.625 1.00 0.00 N ATOM 1080 CA PRO A 69 0.225 -11.226 8.334 1.00 0.00 C ATOM 1081 C PRO A 69 1.654 -11.607 7.947 1.00 0.00 C ATOM 1082 O PRO A 69 2.198 -12.603 8.427 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.066 -11.438 9.821 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.547 -12.879 9.862 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.212 -13.112 8.515 1.00 0.00 C ATOM 0 HA PRO A 69 0.126 -10.171 8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.824 -11.290 10.433 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.825 -10.747 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.284 -13.568 10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.249 -13.037 10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.964 -14.100 8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.297 -13.069 8.607 1.00 0.00 H new ATOM 1093 N ALA A 70 2.260 -10.807 7.072 1.00 0.00 N ATOM 1094 CA ALA A 70 3.621 -10.979 6.578 1.00 0.00 C ATOM 1095 C ALA A 70 4.675 -10.391 7.531 1.00 0.00 C ATOM 1096 O ALA A 70 5.781 -10.065 7.094 1.00 0.00 O ATOM 1097 CB ALA A 70 3.704 -10.381 5.172 1.00 0.00 C ATOM 0 H ALA A 70 1.797 -9.990 6.673 1.00 0.00 H new ATOM 0 HA ALA A 70 3.852 -12.043 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.716 -10.500 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.002 -10.895 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.453 -9.321 5.212 1.00 0.00 H new ATOM 1103 N ALA A 71 4.348 -10.280 8.821 1.00 0.00 N ATOM 1104 CA ALA A 71 5.133 -9.729 9.919 1.00 0.00 C ATOM 1105 C ALA A 71 5.334 -8.206 9.778 1.00 0.00 C ATOM 1106 O ALA A 71 5.060 -7.622 8.721 1.00 0.00 O ATOM 1107 CB ALA A 71 6.432 -10.539 10.069 1.00 0.00 C ATOM 0 H ALA A 71 3.439 -10.606 9.150 1.00 0.00 H new ATOM 0 HA ALA A 71 4.586 -9.833 10.856 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.023 -10.131 10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.189 -11.580 10.280 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.006 -10.481 9.144 1.00 0.00 H new ATOM 1113 N PRO A 72 5.767 -7.513 10.850 1.00 0.00 N ATOM 1114 CA PRO A 72 6.078 -6.098 10.757 1.00 0.00 C ATOM 1115 C PRO A 72 7.350 -5.844 9.944 1.00 0.00 C ATOM 1116 O PRO A 72 8.060 -6.766 9.524 1.00 0.00 O ATOM 1117 CB PRO A 72 6.196 -5.577 12.191 1.00 0.00 C ATOM 1118 CG PRO A 72 6.614 -6.822 12.964 1.00 0.00 C ATOM 1119 CD PRO A 72 5.872 -7.943 12.238 1.00 0.00 C ATOM 0 HA PRO A 72 5.290 -5.566 10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.936 -4.781 12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.251 -5.172 12.554 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.694 -6.970 12.938 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.326 -6.761 14.013 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.414 -8.886 12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.886 -8.105 12.673 1.00 0.00 H new ATOM 1127 N LEU A 73 7.626 -4.559 9.747 1.00 0.00 N ATOM 1128 CA LEU A 73 8.677 -4.012 8.900 1.00 0.00 C ATOM 1129 C LEU A 73 9.531 -3.041 9.735 1.00 0.00 C ATOM 1130 O LEU A 73 9.006 -2.491 10.707 1.00 0.00 O ATOM 1131 CB LEU A 73 7.948 -3.289 7.742 1.00 0.00 C ATOM 1132 CG LEU A 73 8.717 -3.065 6.431 1.00 0.00 C ATOM 1133 CD1 LEU A 73 9.103 -4.387 5.756 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.826 -2.268 5.467 1.00 0.00 C ATOM 0 H LEU A 73 7.086 -3.825 10.205 1.00 0.00 H new ATOM 0 HA LEU A 73 9.349 -4.773 8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.048 -3.858 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.623 -2.315 8.109 1.00 0.00 H new ATOM 0 HG LEU A 73 9.633 -2.525 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.645 -4.180 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.737 -4.966 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.202 -4.956 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.360 -2.102 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.912 -2.828 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.572 -1.308 5.916 1.00 0.00 H new ATOM 1146 N PRO A 74 10.808 -2.775 9.399 1.00 0.00 N ATOM 1147 CA PRO A 74 11.526 -1.626 9.949 1.00 0.00 C ATOM 1148 C PRO A 74 11.005 -0.321 9.313 1.00 0.00 C ATOM 1149 O PRO A 74 10.395 -0.371 8.240 1.00 0.00 O ATOM 1150 CB PRO A 74 12.997 -1.875 9.588 1.00 0.00 C ATOM 1151 CG PRO A 74 12.899 -2.638 8.272 1.00 0.00 C ATOM 1152 CD PRO A 74 11.655 -3.503 8.464 1.00 0.00 C ATOM 0 HA PRO A 74 11.390 -1.519 11.025 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.549 -0.942 9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.509 -2.456 10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.794 -1.964 7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.787 -3.244 8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.142 -3.666 7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.918 -4.485 8.857 1.00 0.00 H new ATOM 1160 N PRO A 75 11.321 0.859 9.882 1.00 0.00 N ATOM 1161 CA PRO A 75 10.908 2.139 9.316 1.00 0.00 C ATOM 1162 C PRO A 75 11.435 2.347 7.897 1.00 0.00 C ATOM 1163 O PRO A 75 10.752 2.923 7.058 1.00 0.00 O ATOM 1164 CB PRO A 75 11.433 3.220 10.264 1.00 0.00 C ATOM 1165 CG PRO A 75 12.514 2.519 11.088 1.00 0.00 C ATOM 1166 CD PRO A 75 12.050 1.065 11.123 1.00 0.00 C ATOM 0 HA PRO A 75 9.822 2.178 9.228 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.842 4.067 9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.638 3.608 10.901 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.496 2.616 10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.590 2.940 12.091 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.898 0.384 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.414 0.877 11.988 1.00 0.00 H new ATOM 1174 N GLU A 76 12.652 1.881 7.624 1.00 0.00 N ATOM 1175 CA GLU A 76 13.312 2.120 6.349 1.00 0.00 C ATOM 1176 C GLU A 76 12.768 1.172 5.288 1.00 0.00 C ATOM 1177 O GLU A 76 12.788 1.483 4.101 1.00 0.00 O ATOM 1178 CB GLU A 76 14.819 1.909 6.515 1.00 0.00 C ATOM 1179 CG GLU A 76 15.365 2.724 7.685 1.00 0.00 C ATOM 1180 CD GLU A 76 16.888 2.774 7.697 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.501 1.781 8.158 1.00 0.00 O ATOM 1182 OE2 GLU A 76 17.463 3.821 7.316 1.00 0.00 O ATOM 0 H GLU A 76 13.204 1.329 8.280 1.00 0.00 H new ATOM 0 HA GLU A 76 13.119 3.144 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.025 0.851 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.332 2.196 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.971 3.739 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.011 2.293 8.621 1.00 0.00 H new ATOM 1189 N GLY A 77 12.251 0.024 5.731 1.00 0.00 N ATOM 1190 CA GLY A 77 11.788 -1.041 4.861 1.00 0.00 C ATOM 1191 C GLY A 77 10.610 -0.627 3.976 1.00 0.00 C ATOM 1192 O GLY A 77 10.441 -1.197 2.897 1.00 0.00 O ATOM 0 H GLY A 77 12.144 -0.188 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.612 -1.368 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.494 -1.896 5.469 1.00 0.00 H new ATOM 1196 N LEU A 78 9.832 0.377 4.396 1.00 0.00 N ATOM 1197 CA LEU A 78 8.821 1.049 3.579 1.00 0.00 C ATOM 1198 C LEU A 78 9.456 1.577 2.293 1.00 0.00 C ATOM 1199 O LEU A 78 8.915 1.425 1.196 1.00 0.00 O ATOM 1200 CB LEU A 78 8.221 2.202 4.405 1.00 0.00 C ATOM 1201 CG LEU A 78 7.410 3.228 3.589 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.164 2.614 2.939 1.00 0.00 C ATOM 1203 CD2 LEU A 78 6.988 4.378 4.503 1.00 0.00 C ATOM 0 H LEU A 78 9.892 0.754 5.342 1.00 0.00 H new ATOM 0 HA LEU A 78 8.032 0.350 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.576 1.781 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.030 2.723 4.916 1.00 0.00 H new ATOM 0 HG LEU A 78 8.053 3.586 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.631 3.381 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.463 1.812 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.511 2.212 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.414 5.106 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.374 3.990 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.875 4.859 4.916 1.00 0.00 H new ATOM 1215 N ASN A 79 10.607 2.224 2.424 1.00 0.00 N ATOM 1216 CA ASN A 79 11.222 2.990 1.359 1.00 0.00 C ATOM 1217 C ASN A 79 11.859 2.061 0.326 1.00 0.00 C ATOM 1218 O ASN A 79 12.124 2.493 -0.793 1.00 0.00 O ATOM 1219 CB ASN A 79 12.210 4.018 1.937 1.00 0.00 C ATOM 1220 CG ASN A 79 11.534 5.021 2.880 1.00 0.00 C ATOM 1221 OD1 ASN A 79 10.400 4.847 3.312 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.183 6.109 3.237 1.00 0.00 N ATOM 0 H ASN A 79 11.145 2.228 3.290 1.00 0.00 H new ATOM 0 HA ASN A 79 10.454 3.557 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.000 3.494 2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.686 4.558 1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.741 6.785 3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.128 6.276 2.891 1.00 0.00 H new ATOM 1229 N ASP A 80 12.063 0.775 0.636 1.00 0.00 N ATOM 1230 CA ASP A 80 12.347 -0.263 -0.365 1.00 0.00 C ATOM 1231 C ASP A 80 11.124 -0.525 -1.244 1.00 0.00 C ATOM 1232 O ASP A 80 11.255 -0.596 -2.465 1.00 0.00 O ATOM 1233 CB ASP A 80 12.803 -1.571 0.292 1.00 0.00 C ATOM 1234 CG ASP A 80 12.795 -2.762 -0.675 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.420 -2.705 -1.758 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.188 -3.802 -0.323 1.00 0.00 O ATOM 0 H ASP A 80 12.036 0.422 1.593 1.00 0.00 H new ATOM 0 HA ASP A 80 13.160 0.109 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.809 -1.440 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.152 -1.792 1.138 1.00 0.00 H new ATOM 1241 N LEU A 81 9.925 -0.642 -0.662 1.00 0.00 N ATOM 1242 CA LEU A 81 8.702 -0.796 -1.447 1.00 0.00 C ATOM 1243 C LEU A 81 8.564 0.398 -2.384 1.00 0.00 C ATOM 1244 O LEU A 81 8.503 0.210 -3.602 1.00 0.00 O ATOM 1245 CB LEU A 81 7.463 -0.934 -0.544 1.00 0.00 C ATOM 1246 CG LEU A 81 7.028 -2.386 -0.320 1.00 0.00 C ATOM 1247 CD1 LEU A 81 8.108 -3.217 0.382 1.00 0.00 C ATOM 1248 CD2 LEU A 81 5.765 -2.381 0.540 1.00 0.00 C ATOM 0 H LEU A 81 9.779 -0.633 0.347 1.00 0.00 H new ATOM 0 HA LEU A 81 8.769 -1.714 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.674 -0.473 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.636 -0.380 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 81 6.848 -2.841 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.751 -4.238 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.012 -3.227 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.330 -2.778 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.438 -3.406 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.978 -1.903 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.977 -1.830 0.026 1.00 0.00 H new ATOM 1260 N ILE A 82 8.553 1.605 -1.810 1.00 0.00 N ATOM 1261 CA ILE A 82 8.408 2.874 -2.524 1.00 0.00 C ATOM 1262 C ILE A 82 9.440 2.991 -3.650 1.00 0.00 C ATOM 1263 O ILE A 82 9.109 3.512 -4.715 1.00 0.00 O ATOM 1264 CB ILE A 82 8.465 4.045 -1.516 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.195 4.049 -0.627 1.00 0.00 C ATOM 1266 CG2 ILE A 82 8.708 5.411 -2.189 1.00 0.00 C ATOM 1267 CD1 ILE A 82 5.966 4.719 -1.263 1.00 0.00 C ATOM 0 H ILE A 82 8.648 1.728 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 82 7.434 2.914 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 82 9.333 3.882 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.941 3.019 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.425 4.558 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.737 6.191 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.658 5.389 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.901 5.619 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.127 4.674 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.195 5.761 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.703 4.198 -2.184 1.00 0.00 H new ATOM 1279 N ARG A 83 10.656 2.455 -3.485 1.00 0.00 N ATOM 1280 CA ARG A 83 11.670 2.425 -4.512 1.00 0.00 C ATOM 1281 C ARG A 83 11.132 1.929 -5.852 1.00 0.00 C ATOM 1282 O ARG A 83 11.536 2.472 -6.873 1.00 0.00 O ATOM 1283 CB ARG A 83 12.832 1.542 -4.023 1.00 0.00 C ATOM 1284 CG ARG A 83 14.147 2.183 -4.423 1.00 0.00 C ATOM 1285 CD ARG A 83 15.307 1.187 -4.344 1.00 0.00 C ATOM 1286 NE ARG A 83 16.562 1.818 -4.776 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.061 1.867 -6.014 1.00 0.00 C ATOM 1288 NH1 ARG A 83 16.436 1.280 -7.026 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.192 2.524 -6.236 1.00 0.00 N ATOM 0 H ARG A 83 10.955 2.024 -2.610 1.00 0.00 H new ATOM 0 HA ARG A 83 12.018 3.443 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.785 1.425 -2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.753 0.544 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.069 2.572 -5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.351 3.033 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.410 0.822 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.094 0.322 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 83 17.115 2.270 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.561 0.782 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.831 1.327 -7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.673 2.986 -5.465 1.00 0.00 H new ATOM 0 HH22 ARG A 83 18.580 2.567 -7.178 1.00 0.00 H new ATOM 1303 N ALA A 84 10.247 0.927 -5.873 1.00 0.00 N ATOM 1304 CA ALA A 84 9.699 0.381 -7.112 1.00 0.00 C ATOM 1305 C ALA A 84 8.722 1.357 -7.781 1.00 0.00 C ATOM 1306 O ALA A 84 8.839 1.580 -8.982 1.00 0.00 O ATOM 1307 CB ALA A 84 9.124 -1.022 -6.863 1.00 0.00 C ATOM 0 H ALA A 84 9.893 0.474 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 84 10.503 0.259 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.718 -1.419 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.914 -1.680 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.331 -0.963 -6.117 1.00 0.00 H new ATOM 1313 N HIS A 85 7.836 2.006 -7.018 1.00 0.00 N ATOM 1314 CA HIS A 85 6.991 3.100 -7.509 1.00 0.00 C ATOM 1315 C HIS A 85 7.877 4.188 -8.119 1.00 0.00 C ATOM 1316 O HIS A 85 7.737 4.560 -9.281 1.00 0.00 O ATOM 1317 CB HIS A 85 6.130 3.651 -6.356 1.00 0.00 C ATOM 1318 CG HIS A 85 5.340 4.909 -6.646 1.00 0.00 C ATOM 1319 ND1 HIS A 85 3.971 5.058 -6.831 1.00 0.00 N ATOM 1320 CD2 HIS A 85 5.888 6.165 -6.648 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.730 6.375 -6.983 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.870 7.077 -6.874 1.00 0.00 N ATOM 0 H HIS A 85 7.684 1.785 -6.034 1.00 0.00 H new ATOM 0 HA HIS A 85 6.316 2.735 -8.283 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.432 2.872 -6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.783 3.846 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.931 6.402 -6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.757 6.806 -7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 85 4.968 8.090 -6.944 1.00 0.00 H new ATOM 1330 N CYS A 86 8.839 4.684 -7.345 1.00 0.00 N ATOM 1331 CA CYS A 86 9.616 5.830 -7.772 1.00 0.00 C ATOM 1332 C CYS A 86 10.514 5.482 -8.954 1.00 0.00 C ATOM 1333 O CYS A 86 10.827 6.378 -9.737 1.00 0.00 O ATOM 1334 CB CYS A 86 10.490 6.313 -6.615 1.00 0.00 C ATOM 1335 SG CYS A 86 9.489 7.036 -5.294 1.00 0.00 S ATOM 0 H CYS A 86 9.093 4.311 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 86 8.922 6.612 -8.079 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.069 5.478 -6.220 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.204 7.052 -6.979 1.00 0.00 H new ATOM 0 HG CYS A 86 9.973 8.198 -4.969 1.00 0.00 H new ATOM 1341 N ALA A 87 10.947 4.222 -9.067 1.00 0.00 N ATOM 1342 CA ALA A 87 11.786 3.753 -10.154 1.00 0.00 C ATOM 1343 C ALA A 87 10.999 3.490 -11.428 1.00 0.00 C ATOM 1344 O ALA A 87 11.611 3.549 -12.493 1.00 0.00 O ATOM 1345 CB ALA A 87 12.527 2.473 -9.750 1.00 0.00 C ATOM 0 H ALA A 87 10.716 3.494 -8.390 1.00 0.00 H new ATOM 0 HA ALA A 87 12.500 4.551 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.151 2.137 -10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.154 2.674 -8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.803 1.696 -9.502 1.00 0.00 H new ATOM 1351 N THR A 88 9.695 3.221 -11.337 1.00 0.00 N ATOM 1352 CA THR A 88 8.899 2.900 -12.513 1.00 0.00 C ATOM 1353 C THR A 88 8.250 4.161 -13.092 1.00 0.00 C ATOM 1354 O THR A 88 7.884 4.159 -14.265 1.00 0.00 O ATOM 1355 CB THR A 88 7.942 1.729 -12.184 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.583 1.002 -13.341 1.00 0.00 O ATOM 1357 CG2 THR A 88 6.675 2.148 -11.437 1.00 0.00 C ATOM 0 H THR A 88 9.173 3.220 -10.461 1.00 0.00 H new ATOM 0 HA THR A 88 9.526 2.536 -13.327 1.00 0.00 H new ATOM 0 HB THR A 88 8.516 1.091 -11.512 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.980 0.270 -13.094 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.059 1.270 -11.245 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.948 2.614 -10.490 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.114 2.859 -12.043 1.00 0.00 H new ATOM 1365 N LEU A 89 8.167 5.250 -12.318 1.00 0.00 N ATOM 1366 CA LEU A 89 7.606 6.523 -12.770 1.00 0.00 C ATOM 1367 C LEU A 89 8.692 7.580 -12.987 1.00 0.00 C ATOM 1368 O LEU A 89 8.501 8.499 -13.778 1.00 0.00 O ATOM 1369 CB LEU A 89 6.552 7.016 -11.767 1.00 0.00 C ATOM 1370 CG LEU A 89 5.413 6.018 -11.476 1.00 0.00 C ATOM 1371 CD1 LEU A 89 4.424 6.620 -10.482 1.00 0.00 C ATOM 1372 CD2 LEU A 89 4.652 5.591 -12.739 1.00 0.00 C ATOM 0 H LEU A 89 8.491 5.269 -11.351 1.00 0.00 H new ATOM 0 HA LEU A 89 7.127 6.357 -13.735 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.051 7.259 -10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.117 7.941 -12.145 1.00 0.00 H new ATOM 0 HG LEU A 89 5.885 5.129 -11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.625 5.905 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.940 6.852 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.999 7.533 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.863 4.889 -12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.210 6.468 -13.212 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.341 5.112 -13.435 1.00 0.00 H new ATOM 1384 N GLY A 90 9.861 7.437 -12.354 1.00 0.00 N ATOM 1385 CA GLY A 90 10.944 8.412 -12.441 1.00 0.00 C ATOM 1386 C GLY A 90 10.690 9.589 -11.514 1.00 0.00 C ATOM 1387 O GLY A 90 10.726 10.744 -11.941 1.00 0.00 O ATOM 0 H GLY A 90 10.080 6.635 -11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.889 7.936 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.038 8.766 -13.468 1.00 0.00 H new ATOM 1391 N HIS A 91 10.455 9.281 -10.234 1.00 0.00 N ATOM 1392 CA HIS A 91 10.254 10.289 -9.199 1.00 0.00 C ATOM 1393 C HIS A 91 11.476 10.378 -8.289 1.00 0.00 C ATOM 1394 O HIS A 91 11.890 11.474 -7.908 1.00 0.00 O ATOM 1395 CB HIS A 91 8.975 9.982 -8.410 1.00 0.00 C ATOM 1396 CG HIS A 91 7.719 10.075 -9.247 1.00 0.00 C ATOM 1397 ND1 HIS A 91 7.447 11.031 -10.202 1.00 0.00 N ATOM 1398 CD2 HIS A 91 6.612 9.276 -9.145 1.00 0.00 C ATOM 1399 CE1 HIS A 91 6.204 10.814 -10.663 1.00 0.00 C ATOM 1400 NE2 HIS A 91 5.658 9.755 -10.047 1.00 0.00 N ATOM 0 H HIS A 91 10.400 8.322 -9.890 1.00 0.00 H new ATOM 0 HA HIS A 91 10.131 11.265 -9.669 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.049 8.980 -7.988 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.898 10.676 -7.573 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.078 11.773 -10.505 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.497 8.428 -8.486 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.714 11.407 -11.421 1.00 0.00 H new ATOM 1408 N CYS A 92 12.129 9.250 -7.993 1.00 0.00 N ATOM 1409 CA CYS A 92 13.222 9.161 -7.022 1.00 0.00 C ATOM 1410 C CYS A 92 12.834 9.758 -5.650 1.00 0.00 C ATOM 1411 O CYS A 92 11.655 9.912 -5.330 1.00 0.00 O ATOM 1412 CB CYS A 92 14.509 9.758 -7.624 1.00 0.00 C ATOM 1413 SG CYS A 92 14.855 9.015 -9.245 1.00 0.00 S ATOM 0 H CYS A 92 11.908 8.356 -8.431 1.00 0.00 H new ATOM 0 HA CYS A 92 13.426 8.111 -6.813 1.00 0.00 H new ATOM 0 HB2 CYS A 92 14.403 10.838 -7.727 1.00 0.00 H new ATOM 0 HB3 CYS A 92 15.348 9.583 -6.950 1.00 0.00 H new ATOM 0 HG CYS A 92 15.942 9.533 -9.737 1.00 0.00 H new ATOM 1419 N CYS A 93 13.832 10.011 -4.803 1.00 0.00 N ATOM 1420 CA CYS A 93 13.708 10.554 -3.453 1.00 0.00 C ATOM 1421 C CYS A 93 13.741 12.085 -3.454 1.00 0.00 C ATOM 1422 O CYS A 93 13.846 12.716 -4.512 1.00 0.00 O ATOM 1423 CB CYS A 93 14.838 9.966 -2.582 1.00 0.00 C ATOM 1424 SG CYS A 93 16.396 9.805 -3.501 1.00 0.00 S ATOM 0 H CYS A 93 14.804 9.832 -5.057 1.00 0.00 H new ATOM 0 HA CYS A 93 12.741 10.269 -3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.995 10.605 -1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 93 14.535 8.988 -2.208 1.00 0.00 H new ATOM 0 HG CYS A 93 17.310 9.309 -2.721 1.00 0.00 H new ATOM 1430 N THR A 94 13.625 12.677 -2.262 1.00 0.00 N ATOM 1431 CA THR A 94 13.594 14.115 -2.043 1.00 0.00 C ATOM 1432 C THR A 94 14.502 14.456 -0.856 1.00 0.00 C ATOM 1433 O THR A 94 15.656 14.848 -1.034 1.00 0.00 O ATOM 1434 CB THR A 94 12.133 14.562 -1.837 1.00 0.00 C ATOM 1435 OG1 THR A 94 11.508 13.816 -0.811 1.00 0.00 O ATOM 1436 CG2 THR A 94 11.284 14.351 -3.088 1.00 0.00 C ATOM 0 H THR A 94 13.548 12.144 -1.396 1.00 0.00 H new ATOM 0 HA THR A 94 13.975 14.658 -2.908 1.00 0.00 H new ATOM 0 HB THR A 94 12.189 15.621 -1.585 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.583 14.122 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.263 14.680 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.702 14.929 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.280 13.293 -3.351 1.00 0.00 H new ATOM 1444 N SER A 95 14.028 14.221 0.365 1.00 0.00 N ATOM 1445 CA SER A 95 14.755 14.358 1.615 1.00 0.00 C ATOM 1446 C SER A 95 14.521 13.111 2.474 1.00 0.00 C ATOM 1447 O SER A 95 13.810 12.189 2.068 1.00 0.00 O ATOM 1448 CB SER A 95 14.325 15.657 2.306 1.00 0.00 C ATOM 1449 OG SER A 95 14.687 16.781 1.521 1.00 0.00 O ATOM 0 H SER A 95 13.067 13.911 0.512 1.00 0.00 H new ATOM 0 HA SER A 95 15.829 14.428 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.247 15.651 2.467 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.793 15.726 3.288 1.00 0.00 H new ATOM 0 HG SER A 95 14.404 17.602 1.975 1.00 0.00 H new ATOM 1455 N LYS A 96 15.152 13.081 3.650 1.00 0.00 N ATOM 1456 CA LYS A 96 15.099 12.047 4.680 1.00 0.00 C ATOM 1457 C LYS A 96 15.206 10.612 4.160 1.00 0.00 C ATOM 1458 O LYS A 96 14.668 9.696 4.779 1.00 0.00 O ATOM 1459 CB LYS A 96 14.051 12.344 5.751 1.00 0.00 C ATOM 1460 CG LYS A 96 12.617 11.989 5.391 1.00 0.00 C ATOM 1461 CD LYS A 96 11.880 13.050 4.566 1.00 0.00 C ATOM 1462 CE LYS A 96 10.435 13.163 5.043 1.00 0.00 C ATOM 1463 NZ LYS A 96 9.671 14.153 4.261 1.00 0.00 N ATOM 0 H LYS A 96 15.766 13.847 3.928 1.00 0.00 H new ATOM 0 HA LYS A 96 16.035 12.104 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.322 11.803 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.093 13.407 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.618 11.052 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.059 11.812 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.381 14.013 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.904 12.784 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.951 12.189 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.422 13.444 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.658 14.057 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.988 15.112 4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.828 13.990 3.246 1.00 0.00 H new ATOM 1477 N MET A 97 15.975 10.412 3.091 1.00 0.00 N ATOM 1478 CA MET A 97 16.178 9.134 2.427 1.00 0.00 C ATOM 1479 C MET A 97 14.819 8.606 1.960 1.00 0.00 C ATOM 1480 O MET A 97 14.290 7.660 2.530 1.00 0.00 O ATOM 1481 CB MET A 97 16.952 8.177 3.356 1.00 0.00 C ATOM 1482 CG MET A 97 17.359 6.891 2.630 1.00 0.00 C ATOM 1483 SD MET A 97 17.427 5.409 3.666 1.00 0.00 S ATOM 1484 CE MET A 97 15.653 5.122 3.939 1.00 0.00 C ATOM 0 H MET A 97 16.494 11.171 2.649 1.00 0.00 H new ATOM 0 HA MET A 97 16.798 9.236 1.537 1.00 0.00 H new ATOM 0 HB2 MET A 97 17.842 8.678 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 97 16.334 7.928 4.219 1.00 0.00 H new ATOM 0 HG2 MET A 97 16.655 6.714 1.816 1.00 0.00 H new ATOM 0 HG3 MET A 97 18.339 7.043 2.177 1.00 0.00 H new ATOM 0 HE1 MET A 97 15.498 4.097 4.276 1.00 0.00 H new ATOM 0 HE2 MET A 97 15.285 5.813 4.698 1.00 0.00 H new ATOM 0 HE3 MET A 97 15.111 5.284 3.007 1.00 0.00 H new ATOM 1494 N HIS A 98 14.267 9.217 0.909 1.00 0.00 N ATOM 1495 CA HIS A 98 12.912 9.030 0.386 1.00 0.00 C ATOM 1496 C HIS A 98 11.862 9.674 1.287 1.00 0.00 C ATOM 1497 O HIS A 98 11.268 10.676 0.891 1.00 0.00 O ATOM 1498 CB HIS A 98 12.554 7.570 0.002 1.00 0.00 C ATOM 1499 CG HIS A 98 12.854 7.194 -1.427 1.00 0.00 C ATOM 1500 ND1 HIS A 98 13.920 6.442 -1.869 1.00 0.00 N ATOM 1501 CD2 HIS A 98 12.087 7.508 -2.517 1.00 0.00 C ATOM 1502 CE1 HIS A 98 13.805 6.319 -3.202 1.00 0.00 C ATOM 1503 NE2 HIS A 98 12.709 6.958 -3.648 1.00 0.00 N ATOM 0 H HIS A 98 14.791 9.902 0.364 1.00 0.00 H new ATOM 0 HA HIS A 98 12.903 9.562 -0.565 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.097 6.893 0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.492 7.412 0.188 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.169 8.077 -2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.499 5.780 -3.830 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.393 7.029 -4.615 1.00 0.00 H new ATOM 1511 N LEU A 99 11.556 9.058 2.426 1.00 0.00 N ATOM 1512 CA LEU A 99 10.326 9.277 3.180 1.00 0.00 C ATOM 1513 C LEU A 99 10.582 9.037 4.653 1.00 0.00 C ATOM 1514 O LEU A 99 11.460 8.251 5.012 1.00 0.00 O ATOM 1515 CB LEU A 99 9.258 8.275 2.724 1.00 0.00 C ATOM 1516 CG LEU A 99 8.716 8.517 1.310 1.00 0.00 C ATOM 1517 CD1 LEU A 99 7.875 7.306 0.932 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.878 9.793 1.256 1.00 0.00 C ATOM 0 H LEU A 99 12.175 8.374 2.861 1.00 0.00 H new ATOM 0 HA LEU A 99 9.990 10.300 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.678 7.270 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.426 8.306 3.428 1.00 0.00 H new ATOM 0 HG LEU A 99 9.539 8.647 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.471 7.442 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.496 6.410 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.055 7.197 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.506 9.941 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.036 9.705 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.494 10.645 1.545 1.00 0.00 H new ATOM 1530 N HIS A 100 9.763 9.686 5.481 1.00 0.00 N ATOM 1531 CA HIS A 100 9.765 9.463 6.914 1.00 0.00 C ATOM 1532 C HIS A 100 8.908 8.252 7.292 1.00 0.00 C ATOM 1533 O HIS A 100 9.256 7.507 8.203 1.00 0.00 O ATOM 1534 CB HIS A 100 9.279 10.727 7.635 1.00 0.00 C ATOM 1535 CG HIS A 100 9.297 10.630 9.141 1.00 0.00 C ATOM 1536 ND1 HIS A 100 8.422 11.274 9.983 1.00 0.00 N ATOM 1537 CD2 HIS A 100 10.151 9.889 9.918 1.00 0.00 C ATOM 1538 CE1 HIS A 100 8.748 10.935 11.240 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.793 10.097 11.254 1.00 0.00 N ATOM 0 H HIS A 100 9.082 10.379 5.170 1.00 0.00 H new ATOM 0 HA HIS A 100 10.786 9.246 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.902 11.567 7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.263 10.949 7.309 1.00 0.00 H new ATOM 0 HD2 HIS A 100 10.954 9.260 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.236 11.290 12.122 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.239 9.691 12.076 1.00 0.00 H new ATOM 1547 N SER A 101 7.759 8.094 6.637 1.00 0.00 N ATOM 1548 CA SER A 101 6.746 7.099 6.982 1.00 0.00 C ATOM 1549 C SER A 101 5.646 7.063 5.914 1.00 0.00 C ATOM 1550 O SER A 101 5.732 7.761 4.898 1.00 0.00 O ATOM 1551 CB SER A 101 6.167 7.406 8.377 1.00 0.00 C ATOM 1552 OG SER A 101 5.525 8.666 8.403 1.00 0.00 O ATOM 0 H SER A 101 7.501 8.667 5.834 1.00 0.00 H new ATOM 0 HA SER A 101 7.207 6.112 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.457 6.628 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.967 7.388 9.117 1.00 0.00 H new ATOM 0 HG SER A 101 5.167 8.832 9.300 1.00 0.00 H new ATOM 1558 N VAL A 102 4.605 6.258 6.161 1.00 0.00 N ATOM 1559 CA VAL A 102 3.435 6.114 5.304 1.00 0.00 C ATOM 1560 C VAL A 102 2.795 7.472 5.050 1.00 0.00 C ATOM 1561 O VAL A 102 2.431 7.760 3.918 1.00 0.00 O ATOM 1562 CB VAL A 102 2.423 5.143 5.949 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.147 4.947 5.102 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.078 3.787 6.221 1.00 0.00 C ATOM 0 H VAL A 102 4.558 5.671 6.994 1.00 0.00 H new ATOM 0 HA VAL A 102 3.747 5.701 4.345 1.00 0.00 H new ATOM 0 HB VAL A 102 2.116 5.601 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.476 4.254 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.646 5.906 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.416 4.542 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.350 3.116 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.430 3.358 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.921 3.920 6.899 1.00 0.00 H new ATOM 1574 N MET A 103 2.625 8.297 6.080 1.00 0.00 N ATOM 1575 CA MET A 103 1.870 9.536 5.974 1.00 0.00 C ATOM 1576 C MET A 103 2.537 10.472 4.974 1.00 0.00 C ATOM 1577 O MET A 103 1.878 11.013 4.083 1.00 0.00 O ATOM 1578 CB MET A 103 1.789 10.142 7.372 1.00 0.00 C ATOM 1579 CG MET A 103 0.818 11.316 7.475 1.00 0.00 C ATOM 1580 SD MET A 103 -0.236 11.217 8.948 1.00 0.00 S ATOM 1581 CE MET A 103 -1.531 10.103 8.336 1.00 0.00 C ATOM 0 H MET A 103 3.008 8.123 7.009 1.00 0.00 H new ATOM 0 HA MET A 103 0.861 9.357 5.603 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.486 9.368 8.077 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.782 10.476 7.672 1.00 0.00 H new ATOM 0 HG2 MET A 103 1.382 12.249 7.497 1.00 0.00 H new ATOM 0 HG3 MET A 103 0.191 11.344 6.584 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.267 9.934 9.122 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.020 10.553 7.472 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.085 9.151 8.046 1.00 0.00 H new ATOM 1591 N ASP A 104 3.859 10.592 5.094 1.00 0.00 N ATOM 1592 CA ASP A 104 4.710 11.316 4.162 1.00 0.00 C ATOM 1593 C ASP A 104 4.588 10.714 2.765 1.00 0.00 C ATOM 1594 O ASP A 104 4.518 11.460 1.792 1.00 0.00 O ATOM 1595 CB ASP A 104 6.170 11.299 4.644 1.00 0.00 C ATOM 1596 CG ASP A 104 6.461 12.400 5.660 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.800 12.490 6.717 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.366 13.217 5.394 1.00 0.00 O ATOM 0 H ASP A 104 4.378 10.174 5.866 1.00 0.00 H new ATOM 0 HA ASP A 104 4.383 12.355 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.391 10.329 5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.834 11.415 3.787 1.00 0.00 H new ATOM 1603 N ALA A 105 4.516 9.381 2.657 1.00 0.00 N ATOM 1604 CA ALA A 105 4.363 8.680 1.389 1.00 0.00 C ATOM 1605 C ALA A 105 3.059 9.058 0.693 1.00 0.00 C ATOM 1606 O ALA A 105 3.091 9.452 -0.466 1.00 0.00 O ATOM 1607 CB ALA A 105 4.426 7.158 1.590 1.00 0.00 C ATOM 0 H ALA A 105 4.564 8.757 3.462 1.00 0.00 H new ATOM 0 HA ALA A 105 5.192 8.986 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.309 6.659 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.389 6.888 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.625 6.846 2.260 1.00 0.00 H new ATOM 1613 N ILE A 106 1.917 8.932 1.374 1.00 0.00 N ATOM 1614 CA ILE A 106 0.605 9.230 0.803 1.00 0.00 C ATOM 1615 C ILE A 106 0.627 10.651 0.232 1.00 0.00 C ATOM 1616 O ILE A 106 0.199 10.858 -0.903 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.493 9.069 1.878 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.596 7.643 2.449 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.884 9.539 1.412 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -1.092 6.555 1.503 1.00 0.00 C ATOM 0 H ILE A 106 1.879 8.618 2.344 1.00 0.00 H new ATOM 0 HA ILE A 106 0.378 8.531 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.162 9.729 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.389 7.352 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.261 7.671 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.605 9.397 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.841 10.595 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.192 8.958 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.118 5.600 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.094 6.805 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.419 6.481 0.649 1.00 0.00 H new ATOM 1632 N ASP A 107 1.147 11.604 1.015 1.00 0.00 N ATOM 1633 CA ASP A 107 1.241 13.005 0.629 1.00 0.00 C ATOM 1634 C ASP A 107 2.088 13.174 -0.623 1.00 0.00 C ATOM 1635 O ASP A 107 1.643 13.795 -1.588 1.00 0.00 O ATOM 1636 CB ASP A 107 1.813 13.829 1.775 1.00 0.00 C ATOM 1637 CG ASP A 107 1.715 15.332 1.511 1.00 0.00 C ATOM 1638 OD1 ASP A 107 2.683 15.906 0.964 1.00 0.00 O ATOM 1639 OD2 ASP A 107 0.711 15.956 1.942 1.00 0.00 O ATOM 0 H ASP A 107 1.518 11.414 1.946 1.00 0.00 H new ATOM 0 HA ASP A 107 0.237 13.364 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.280 13.588 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.857 13.556 1.931 1.00 0.00 H new ATOM 1644 N PHE A 108 3.288 12.589 -0.578 1.00 0.00 N ATOM 1645 CA PHE A 108 4.279 12.571 -1.642 1.00 0.00 C ATOM 1646 C PHE A 108 3.656 12.054 -2.931 1.00 0.00 C ATOM 1647 O PHE A 108 3.544 12.804 -3.888 1.00 0.00 O ATOM 1648 CB PHE A 108 5.506 11.740 -1.219 1.00 0.00 C ATOM 1649 CG PHE A 108 6.687 11.741 -2.179 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.109 12.928 -2.812 1.00 0.00 C ATOM 1651 CD2 PHE A 108 7.386 10.542 -2.425 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.219 12.911 -3.673 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.506 10.531 -3.273 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.926 11.718 -3.894 1.00 0.00 C ATOM 0 H PHE A 108 3.606 12.088 0.252 1.00 0.00 H new ATOM 0 HA PHE A 108 4.625 13.588 -1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.851 12.108 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.186 10.708 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.578 13.852 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.058 9.625 -1.958 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.530 13.820 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 108 9.043 9.610 -3.447 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.791 11.714 -4.540 1.00 0.00 H new ATOM 1664 N LEU A 109 3.234 10.792 -2.971 1.00 0.00 N ATOM 1665 CA LEU A 109 2.642 10.134 -4.115 1.00 0.00 C ATOM 1666 C LEU A 109 1.474 10.931 -4.693 1.00 0.00 C ATOM 1667 O LEU A 109 1.427 11.130 -5.905 1.00 0.00 O ATOM 1668 CB LEU A 109 2.231 8.720 -3.684 1.00 0.00 C ATOM 1669 CG LEU A 109 3.406 7.726 -3.662 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.476 7.843 -2.571 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.851 6.300 -3.585 1.00 0.00 C ATOM 0 H LEU A 109 3.303 10.176 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 109 3.369 10.070 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.784 8.766 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.463 8.349 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 109 3.932 7.983 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.225 7.063 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.954 8.820 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.011 7.729 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.677 5.589 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.258 6.189 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.222 6.107 -4.454 1.00 0.00 H new ATOM 1683 N ASN A 110 0.569 11.443 -3.853 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.545 12.251 -4.349 1.00 0.00 C ATOM 1685 C ASN A 110 -0.056 13.561 -4.971 1.00 0.00 C ATOM 1686 O ASN A 110 -0.670 14.045 -5.919 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.559 12.561 -3.237 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.586 11.465 -3.041 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.712 11.556 -3.524 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.274 10.467 -2.239 1.00 0.00 N ATOM 0 H ASN A 110 0.586 11.314 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.039 11.658 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.024 12.720 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.073 13.493 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.971 9.758 -2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.335 10.404 -1.845 1.00 0.00 H new ATOM 1697 N ALA A 111 1.022 14.153 -4.447 1.00 0.00 N ATOM 1698 CA ALA A 111 1.614 15.374 -4.979 1.00 0.00 C ATOM 1699 C ALA A 111 2.517 15.118 -6.195 1.00 0.00 C ATOM 1700 O ALA A 111 2.805 16.060 -6.936 1.00 0.00 O ATOM 1701 CB ALA A 111 2.408 16.079 -3.873 1.00 0.00 C ATOM 0 H ALA A 111 1.511 13.788 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 111 0.798 16.009 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.851 16.992 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.740 16.328 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.197 15.418 -3.514 1.00 0.00 H new ATOM 1707 N LEU A 112 2.975 13.882 -6.404 1.00 0.00 N ATOM 1708 CA LEU A 112 3.728 13.472 -7.586 1.00 0.00 C ATOM 1709 C LEU A 112 2.806 13.273 -8.776 1.00 0.00 C ATOM 1710 O LEU A 112 3.233 13.385 -9.926 1.00 0.00 O ATOM 1711 CB LEU A 112 4.447 12.143 -7.313 1.00 0.00 C ATOM 1712 CG LEU A 112 5.675 12.270 -6.398 1.00 0.00 C ATOM 1713 CD1 LEU A 112 6.153 10.872 -5.986 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.768 13.059 -7.117 1.00 0.00 C ATOM 0 H LEU A 112 2.828 13.122 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 112 4.448 14.259 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.741 11.447 -6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.759 11.709 -8.263 1.00 0.00 H new ATOM 0 HG LEU A 112 5.415 12.814 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.024 10.962 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.354 10.357 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.421 10.302 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.639 13.149 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.050 12.539 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.396 14.053 -7.365 1.00 0.00 H new ATOM 1726 N GLU A 113 1.561 12.913 -8.494 1.00 0.00 N ATOM 1727 CA GLU A 113 0.534 12.794 -9.514 1.00 0.00 C ATOM 1728 C GLU A 113 0.092 14.155 -10.044 1.00 0.00 C ATOM 1729 O GLU A 113 0.297 15.198 -9.408 1.00 0.00 O ATOM 1730 CB GLU A 113 -0.672 11.997 -8.992 1.00 0.00 C ATOM 1731 CG GLU A 113 -0.611 10.539 -9.458 1.00 0.00 C ATOM 1732 CD GLU A 113 -0.935 10.331 -10.945 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -0.435 11.097 -11.804 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -1.668 9.362 -11.261 1.00 0.00 O ATOM 0 H GLU A 113 1.237 12.696 -7.551 1.00 0.00 H new ATOM 0 HA GLU A 113 0.975 12.248 -10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.693 12.034 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.596 12.456 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.387 10.149 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.308 9.951 -8.862 1.00 0.00 H new ATOM 1741 N GLY A 114 -0.558 14.117 -11.207 1.00 0.00 N ATOM 1742 CA GLY A 114 -1.177 15.281 -11.812 1.00 0.00 C ATOM 1743 C GLY A 114 -2.542 15.555 -11.208 1.00 0.00 C ATOM 1744 O GLY A 114 -2.985 14.923 -10.220 1.00 0.00 O ATOM 0 H GLY A 114 -0.667 13.264 -11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.534 16.151 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.277 15.126 -12.886 1.00 0.00 H new TER 1748 GLY A 114