USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1014 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: B 20 SER OG : rot 180:sc= -0.218 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -162:sc= 0.154 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 50:sc= 0.939 USER MOD Set 2.2: B 18 THR OG1 : rot 96:sc= 0.849 USER MOD Set 3.1: A 77 ASN : amide:sc= -6.95! K(o=-13!,f=-8.7) USER MOD Set 3.2: A 84 CYS SG : rot -66:sc= -1.82! USER MOD Set 3.3: A 89 GLN : amide:sc= -4.69! C(o=-13!,f=-9.4!) USER MOD Set 4.1: A 45 HIS : no HE2:sc= -4.35! C(o=-17!,f=-34!) USER MOD Set 4.2: A 46 THR OG1 : rot 82:sc= 0.934 USER MOD Set 4.3: A 52 LYS NZ :NH3+ -111:sc= -3.12! (180deg=-2.74!) USER MOD Set 4.4: A 60 CYS SG : rot 12:sc= -10.9! USER MOD Set 5.1: A 19 SER OG : rot 70:sc= -0.0274 USER MOD Set 5.2: A 22 HIS : no HD1:sc= -0.204 X(o=-2.1,f=-2.2) USER MOD Set 5.3: A 31 CYS SG : rot -177:sc= -2.26! USER MOD Set 5.4: A 36 CYS SG : rot -141:sc= 0.409 USER MOD Single : A 1 ALA N :NH3+ -166:sc= -0.0126 (180deg=-0.277) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 4 SER OG : rot 180:sc= -0.143 USER MOD Single : A 8 SER OG : rot 150:sc= -0.244 USER MOD Single : A 14 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.8) USER MOD Single : A 18 GLN : amide:sc=-0.00441 K(o=-0.0044,f=-1.4!) USER MOD Single : A 25 GLN : amide:sc= -5.8! C(o=-5.8!,f=-4!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.0637 USER MOD Single : A 28 ASN : amide:sc= -0.063 K(o=-0.063,f=-2.4) USER MOD Single : A 30 ASN : amide:sc= -0.0142 K(o=-0.014,f=-1.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 1.15 K(o=1.2,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= 0.5 (180deg=-7.29!) USER MOD Single : A 39 MET CE :methyl -155:sc= -0.17 (180deg=-1.78) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -5.47! (180deg=-5.7!) USER MOD Single : A 44 GLN : amide:sc= -0.984 X(o=-0.98,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -173:sc= -0.287 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 72:sc= 0.866 USER MOD Single : A 54 ASN : amide:sc= -0.0173 K(o=-0.017,f=-1.7!) USER MOD Single : A 57 CYS SG : rot -107:sc= -3.3 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.355 K(o=-0.35,f=-1.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 74 CYS SG : rot -81:sc= 0.747 USER MOD Single : A 75 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.47) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.7!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -154:sc= -0.139 (180deg=-0.835) USER MOD Single : B 1 MET N :NH3+ -163:sc= -0.0286 (180deg=-0.474) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 6 SER OG : rot 17:sc= 0.218! USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.6!) USER MOD Single : B 30 ASN : amide:sc= -3.29 K(o=-3.3,f=-8.3!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.373 -4.293 19.698 1.00 0.00 N ATOM 2 CA ALA A 1 -17.485 -4.986 18.384 1.00 0.00 C ATOM 3 C ALA A 1 -17.038 -4.041 17.274 1.00 0.00 C ATOM 4 O ALA A 1 -16.485 -4.474 16.263 1.00 0.00 O ATOM 5 CB ALA A 1 -18.938 -5.410 18.155 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.445 -4.991 20.466 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.456 -3.807 19.757 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.140 -3.597 19.790 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.849 -5.871 18.379 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.022 -5.917 17.194 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.249 -6.087 18.951 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.579 -4.528 18.157 1.00 0.00 H new ATOM 13 N THR A 2 -17.286 -2.749 17.467 1.00 0.00 N ATOM 14 CA THR A 2 -16.904 -1.753 16.472 1.00 0.00 C ATOM 15 C THR A 2 -15.391 -1.726 16.293 1.00 0.00 C ATOM 16 O THR A 2 -14.889 -1.756 15.170 1.00 0.00 O ATOM 17 CB THR A 2 -17.393 -0.369 16.906 1.00 0.00 C ATOM 18 OG1 THR A 2 -18.765 -0.447 17.267 1.00 0.00 O ATOM 19 CG2 THR A 2 -17.223 0.620 15.753 1.00 0.00 C ATOM 0 H THR A 2 -17.745 -2.370 18.295 1.00 0.00 H new ATOM 0 HA THR A 2 -17.365 -2.021 15.521 1.00 0.00 H new ATOM 0 HB THR A 2 -16.809 -0.028 17.761 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.080 0.438 17.547 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.572 1.605 16.064 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.170 0.679 15.476 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.806 0.283 14.896 1.00 0.00 H new ATOM 27 N GLN A 3 -14.665 -1.670 17.409 1.00 0.00 N ATOM 28 CA GLN A 3 -13.203 -1.639 17.371 1.00 0.00 C ATOM 29 C GLN A 3 -12.638 -3.033 17.625 1.00 0.00 C ATOM 30 O GLN A 3 -13.004 -3.695 18.597 1.00 0.00 O ATOM 31 CB GLN A 3 -12.676 -0.676 18.437 1.00 0.00 C ATOM 32 CG GLN A 3 -13.097 0.755 18.088 1.00 0.00 C ATOM 33 CD GLN A 3 -12.602 1.720 19.159 1.00 0.00 C ATOM 34 OE1 GLN A 3 -11.878 1.320 20.071 1.00 0.00 O ATOM 35 NE2 GLN A 3 -12.955 2.976 19.105 1.00 0.00 N ATOM 0 H GLN A 3 -15.063 -1.645 18.348 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.887 -1.300 16.384 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.066 -0.952 19.416 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.590 -0.742 18.497 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.689 1.036 17.117 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.182 0.814 18.007 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.555 3.305 18.349 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.631 3.628 19.819 1.00 0.00 H new ATOM 44 N SER A 4 -11.747 -3.470 16.744 1.00 0.00 N ATOM 45 CA SER A 4 -11.132 -4.788 16.870 1.00 0.00 C ATOM 46 C SER A 4 -10.008 -4.926 15.853 1.00 0.00 C ATOM 47 O SER A 4 -9.732 -3.987 15.107 1.00 0.00 O ATOM 48 CB SER A 4 -12.197 -5.876 16.653 1.00 0.00 C ATOM 49 OG SER A 4 -12.077 -6.405 15.338 1.00 0.00 O ATOM 0 H SER A 4 -11.434 -2.933 15.935 1.00 0.00 H new ATOM 0 HA SER A 4 -10.713 -4.905 17.869 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.074 -6.671 17.388 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.193 -5.458 16.798 1.00 0.00 H new ATOM 0 HG SER A 4 -12.755 -7.099 15.202 1.00 0.00 H new ATOM 55 N PRO A 5 -9.363 -6.061 15.787 1.00 0.00 N ATOM 56 CA PRO A 5 -8.265 -6.277 14.813 1.00 0.00 C ATOM 57 C PRO A 5 -8.785 -5.990 13.425 1.00 0.00 C ATOM 58 O PRO A 5 -8.082 -5.457 12.571 1.00 0.00 O ATOM 59 CB PRO A 5 -7.890 -7.751 15.005 1.00 0.00 C ATOM 60 CG PRO A 5 -8.286 -8.025 16.410 1.00 0.00 C ATOM 61 CD PRO A 5 -9.590 -7.256 16.602 1.00 0.00 C ATOM 0 HA PRO A 5 -7.398 -5.631 14.955 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.421 -8.396 14.305 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.825 -7.919 14.848 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.427 -9.092 16.581 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.521 -7.688 17.110 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.454 -7.826 16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.767 -7.008 17.649 1.00 0.00 H new ATOM 69 N GLY A 6 -10.055 -6.315 13.239 1.00 0.00 N ATOM 70 CA GLY A 6 -10.710 -6.066 11.977 1.00 0.00 C ATOM 71 C GLY A 6 -10.637 -4.578 11.675 1.00 0.00 C ATOM 72 O GLY A 6 -10.488 -4.164 10.528 1.00 0.00 O ATOM 0 H GLY A 6 -10.646 -6.750 13.947 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.229 -6.637 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.749 -6.392 12.020 1.00 0.00 H new ATOM 76 N ASP A 7 -10.694 -3.781 12.739 1.00 0.00 N ATOM 77 CA ASP A 7 -10.592 -2.333 12.612 1.00 0.00 C ATOM 78 C ASP A 7 -9.125 -1.956 12.488 1.00 0.00 C ATOM 79 O ASP A 7 -8.774 -0.940 11.885 1.00 0.00 O ATOM 80 CB ASP A 7 -11.214 -1.643 13.828 1.00 0.00 C ATOM 81 CG ASP A 7 -11.351 -0.146 13.564 1.00 0.00 C ATOM 82 OD1 ASP A 7 -10.595 0.364 12.754 1.00 0.00 O ATOM 83 OD2 ASP A 7 -12.208 0.469 14.177 1.00 0.00 O ATOM 0 H ASP A 7 -10.810 -4.114 13.696 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.134 -2.006 11.725 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.192 -2.074 14.041 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.594 -1.810 14.708 1.00 0.00 H new ATOM 88 N SER A 8 -8.269 -2.812 13.041 1.00 0.00 N ATOM 89 CA SER A 8 -6.835 -2.603 12.968 1.00 0.00 C ATOM 90 C SER A 8 -6.365 -2.888 11.551 1.00 0.00 C ATOM 91 O SER A 8 -5.465 -2.226 11.032 1.00 0.00 O ATOM 92 CB SER A 8 -6.103 -3.501 13.968 1.00 0.00 C ATOM 93 OG SER A 8 -4.789 -2.998 14.174 1.00 0.00 O ATOM 0 H SER A 8 -8.548 -3.655 13.543 1.00 0.00 H new ATOM 0 HA SER A 8 -6.609 -1.568 13.226 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.646 -3.531 14.913 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.059 -4.523 13.593 1.00 0.00 H new ATOM 0 HG SER A 8 -4.494 -3.215 15.083 1.00 0.00 H new ATOM 99 N ARG A 9 -7.007 -3.867 10.925 1.00 0.00 N ATOM 100 CA ARG A 9 -6.687 -4.225 9.560 1.00 0.00 C ATOM 101 C ARG A 9 -7.137 -3.110 8.641 1.00 0.00 C ATOM 102 O ARG A 9 -6.473 -2.775 7.658 1.00 0.00 O ATOM 103 CB ARG A 9 -7.348 -5.550 9.162 1.00 0.00 C ATOM 104 CG ARG A 9 -6.685 -6.706 9.918 1.00 0.00 C ATOM 105 CD ARG A 9 -7.310 -8.030 9.472 1.00 0.00 C ATOM 106 NE ARG A 9 -6.729 -9.142 10.219 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.249 -9.547 11.378 1.00 0.00 C ATOM 108 NH1 ARG A 9 -8.298 -8.947 11.871 1.00 0.00 N ATOM 109 NH2 ARG A 9 -6.709 -10.544 12.021 1.00 0.00 N ATOM 0 H ARG A 9 -7.751 -4.423 11.346 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.609 -4.361 9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.414 -5.518 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.255 -5.705 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.612 -6.714 9.724 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.814 -6.574 10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.388 -8.002 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.147 -8.176 8.404 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.908 -9.619 9.846 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.722 -8.166 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.694 -9.259 12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.889 -11.014 11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.106 -10.854 12.908 1.00 0.00 H new ATOM 123 N ARG A 10 -8.261 -2.520 9.002 1.00 0.00 N ATOM 124 CA ARG A 10 -8.807 -1.397 8.248 1.00 0.00 C ATOM 125 C ARG A 10 -7.941 -0.168 8.481 1.00 0.00 C ATOM 126 O ARG A 10 -7.743 0.660 7.589 1.00 0.00 O ATOM 127 CB ARG A 10 -10.256 -1.115 8.652 1.00 0.00 C ATOM 128 CG ARG A 10 -11.173 -2.245 8.151 1.00 0.00 C ATOM 129 CD ARG A 10 -11.279 -2.231 6.617 1.00 0.00 C ATOM 130 NE ARG A 10 -12.553 -2.811 6.205 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.815 -3.061 4.927 1.00 0.00 C ATOM 132 NH1 ARG A 10 -11.925 -2.791 4.012 1.00 0.00 N ATOM 133 NH2 ARG A 10 -13.963 -3.580 4.587 1.00 0.00 N ATOM 0 H ARG A 10 -8.817 -2.796 9.812 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.803 -1.649 7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.330 -1.030 9.736 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.579 -0.161 8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.784 -3.208 8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.165 -2.134 8.588 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.197 -1.209 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.454 -2.795 6.181 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.256 -3.029 6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.027 -2.387 4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.128 -2.984 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.658 -3.793 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.165 -3.772 3.606 1.00 0.00 H new ATOM 147 N LEU A 11 -7.411 -0.071 9.690 1.00 0.00 N ATOM 148 CA LEU A 11 -6.537 1.031 10.046 1.00 0.00 C ATOM 149 C LEU A 11 -5.150 0.750 9.490 1.00 0.00 C ATOM 150 O LEU A 11 -4.379 1.672 9.217 1.00 0.00 O ATOM 151 CB LEU A 11 -6.466 1.186 11.570 1.00 0.00 C ATOM 152 CG LEU A 11 -7.759 1.844 12.107 1.00 0.00 C ATOM 153 CD1 LEU A 11 -7.969 1.485 13.590 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.668 3.371 11.981 1.00 0.00 C ATOM 0 H LEU A 11 -7.572 -0.743 10.440 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.928 1.957 9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.327 0.210 12.035 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.602 1.793 11.840 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.597 1.472 11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.883 1.956 13.952 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.052 0.403 13.694 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.121 1.842 14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.584 3.823 12.362 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.817 3.734 12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.538 3.643 10.933 1.00 0.00 H new ATOM 166 N SER A 12 -4.843 -0.537 9.311 1.00 0.00 N ATOM 167 CA SER A 12 -3.553 -0.919 8.766 1.00 0.00 C ATOM 168 C SER A 12 -3.442 -0.427 7.332 1.00 0.00 C ATOM 169 O SER A 12 -2.437 0.178 6.950 1.00 0.00 O ATOM 170 CB SER A 12 -3.378 -2.437 8.822 1.00 0.00 C ATOM 171 OG SER A 12 -2.103 -2.782 8.297 1.00 0.00 O ATOM 0 H SER A 12 -5.463 -1.315 9.533 1.00 0.00 H new ATOM 0 HA SER A 12 -2.764 -0.462 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.468 -2.787 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.165 -2.927 8.249 1.00 0.00 H new ATOM 0 HG SER A 12 -1.414 -2.230 8.723 1.00 0.00 H new ATOM 177 N ILE A 13 -4.487 -0.671 6.535 1.00 0.00 N ATOM 178 CA ILE A 13 -4.473 -0.219 5.158 1.00 0.00 C ATOM 179 C ILE A 13 -4.601 1.306 5.086 1.00 0.00 C ATOM 180 O ILE A 13 -4.063 1.924 4.179 1.00 0.00 O ATOM 181 CB ILE A 13 -5.599 -0.865 4.340 1.00 0.00 C ATOM 182 CG1 ILE A 13 -6.956 -0.447 4.901 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.474 -2.390 4.369 1.00 0.00 C ATOM 184 CD1 ILE A 13 -8.075 -1.118 4.105 1.00 0.00 C ATOM 0 H ILE A 13 -5.331 -1.168 6.819 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.517 -0.522 4.730 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.517 -0.526 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.027 -0.727 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.062 0.637 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.280 -2.832 3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.514 -2.685 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.538 -2.741 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.041 -0.816 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.009 -0.816 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.974 -2.201 4.177 1.00 0.00 H new ATOM 196 N GLN A 14 -5.327 1.902 6.036 1.00 0.00 N ATOM 197 CA GLN A 14 -5.523 3.330 6.064 1.00 0.00 C ATOM 198 C GLN A 14 -4.175 4.041 6.148 1.00 0.00 C ATOM 199 O GLN A 14 -3.940 5.032 5.473 1.00 0.00 O ATOM 200 CB GLN A 14 -6.373 3.701 7.280 1.00 0.00 C ATOM 201 CG GLN A 14 -6.934 5.100 7.078 1.00 0.00 C ATOM 202 CD GLN A 14 -7.650 5.577 8.338 1.00 0.00 C ATOM 203 OE1 GLN A 14 -7.142 5.397 9.445 1.00 0.00 O ATOM 204 NE2 GLN A 14 -8.804 6.179 8.235 1.00 0.00 N ATOM 0 H GLN A 14 -5.787 1.401 6.796 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.032 3.640 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.184 2.984 7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.770 3.664 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.127 5.789 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.627 5.102 6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.222 6.327 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.287 6.502 9.073 1.00 0.00 H new ATOM 213 N ARG A 15 -3.292 3.501 6.981 1.00 0.00 N ATOM 214 CA ARG A 15 -1.960 4.054 7.155 1.00 0.00 C ATOM 215 C ARG A 15 -1.136 3.796 5.908 1.00 0.00 C ATOM 216 O ARG A 15 -0.383 4.661 5.449 1.00 0.00 O ATOM 217 CB ARG A 15 -1.286 3.424 8.378 1.00 0.00 C ATOM 218 CG ARG A 15 -1.958 3.938 9.654 1.00 0.00 C ATOM 219 CD ARG A 15 -1.300 3.292 10.875 1.00 0.00 C ATOM 220 NE ARG A 15 -1.955 3.745 12.097 1.00 0.00 N ATOM 221 CZ ARG A 15 -1.553 3.320 13.290 1.00 0.00 C ATOM 222 NH1 ARG A 15 -0.544 2.497 13.385 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.165 3.728 14.368 1.00 0.00 N ATOM 0 H ARG A 15 -3.480 2.675 7.549 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.034 5.130 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.360 2.338 8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.224 3.671 8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.870 5.023 9.712 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.023 3.705 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.364 2.206 10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.241 3.548 10.905 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.735 4.399 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.064 2.180 12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.236 2.171 14.301 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.952 4.373 14.295 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.857 3.402 15.284 1.00 0.00 H new ATOM 237 N ALA A 16 -1.314 2.610 5.337 1.00 0.00 N ATOM 238 CA ALA A 16 -0.614 2.266 4.122 1.00 0.00 C ATOM 239 C ALA A 16 -1.165 3.141 3.018 1.00 0.00 C ATOM 240 O ALA A 16 -0.425 3.648 2.184 1.00 0.00 O ATOM 241 CB ALA A 16 -0.817 0.787 3.780 1.00 0.00 C ATOM 0 H ALA A 16 -1.932 1.883 5.697 1.00 0.00 H new ATOM 0 HA ALA A 16 0.457 2.429 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.281 0.549 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.435 0.170 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.880 0.588 3.642 1.00 0.00 H new ATOM 247 N ILE A 17 -2.481 3.330 3.063 1.00 0.00 N ATOM 248 CA ILE A 17 -3.176 4.166 2.108 1.00 0.00 C ATOM 249 C ILE A 17 -2.718 5.605 2.273 1.00 0.00 C ATOM 250 O ILE A 17 -2.367 6.266 1.306 1.00 0.00 O ATOM 251 CB ILE A 17 -4.685 4.049 2.372 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.225 2.693 1.796 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.468 5.264 1.798 1.00 0.00 C ATOM 254 CD1 ILE A 17 -6.130 2.910 0.574 1.00 0.00 C ATOM 0 H ILE A 17 -3.088 2.906 3.764 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.959 3.848 1.088 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.845 4.057 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.385 2.057 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.781 2.165 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.531 5.143 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.109 6.181 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.313 5.321 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.482 1.946 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.984 3.524 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.566 3.414 -0.211 1.00 0.00 H new ATOM 266 N GLN A 18 -2.704 6.085 3.512 1.00 0.00 N ATOM 267 CA GLN A 18 -2.275 7.453 3.756 1.00 0.00 C ATOM 268 C GLN A 18 -0.940 7.704 3.076 1.00 0.00 C ATOM 269 O GLN A 18 -0.707 8.785 2.551 1.00 0.00 O ATOM 270 CB GLN A 18 -2.171 7.730 5.265 1.00 0.00 C ATOM 271 CG GLN A 18 -3.559 8.050 5.840 1.00 0.00 C ATOM 272 CD GLN A 18 -3.504 8.058 7.364 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.436 7.879 7.949 1.00 0.00 O ATOM 274 NE2 GLN A 18 -4.600 8.251 8.046 1.00 0.00 N ATOM 0 H GLN A 18 -2.978 5.561 4.343 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.018 8.132 3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.749 6.863 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.494 8.565 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.898 9.020 5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.283 7.310 5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.484 8.399 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.572 8.254 9.066 1.00 0.00 H new ATOM 283 N SER A 19 -0.074 6.698 3.053 1.00 0.00 N ATOM 284 CA SER A 19 1.219 6.857 2.390 1.00 0.00 C ATOM 285 C SER A 19 1.106 6.488 0.920 1.00 0.00 C ATOM 286 O SER A 19 1.686 7.154 0.071 1.00 0.00 O ATOM 287 CB SER A 19 2.291 6.000 3.073 1.00 0.00 C ATOM 288 OG SER A 19 3.562 6.317 2.524 1.00 0.00 O ATOM 0 H SER A 19 -0.235 5.783 3.474 1.00 0.00 H new ATOM 0 HA SER A 19 1.517 7.903 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.290 6.183 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.073 4.942 2.930 1.00 0.00 H new ATOM 0 HG SER A 19 3.826 7.217 2.808 1.00 0.00 H new ATOM 294 N LEU A 20 0.352 5.441 0.606 1.00 0.00 N ATOM 295 CA LEU A 20 0.197 5.066 -0.795 1.00 0.00 C ATOM 296 C LEU A 20 -0.528 6.179 -1.549 1.00 0.00 C ATOM 297 O LEU A 20 -0.056 6.645 -2.586 1.00 0.00 O ATOM 298 CB LEU A 20 -0.538 3.704 -0.892 1.00 0.00 C ATOM 299 CG LEU A 20 -1.459 3.581 -2.129 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.628 3.497 -3.407 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.297 2.308 -1.999 1.00 0.00 C ATOM 0 H LEU A 20 -0.146 4.854 1.275 1.00 0.00 H new ATOM 0 HA LEU A 20 1.173 4.941 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.201 2.903 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.133 3.557 0.009 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.102 4.459 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.292 3.411 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.021 4.397 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.022 2.623 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.950 2.212 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.637 1.442 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.902 2.361 -1.094 1.00 0.00 H new ATOM 313 N VAL A 21 -1.674 6.607 -1.022 1.00 0.00 N ATOM 314 CA VAL A 21 -2.431 7.671 -1.665 1.00 0.00 C ATOM 315 C VAL A 21 -1.586 8.950 -1.689 1.00 0.00 C ATOM 316 O VAL A 21 -1.503 9.621 -2.718 1.00 0.00 O ATOM 317 CB VAL A 21 -3.779 7.909 -0.928 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.263 9.361 -1.079 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.850 6.965 -1.489 1.00 0.00 C ATOM 0 H VAL A 21 -2.090 6.239 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.663 7.379 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.614 7.711 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.208 9.487 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.519 10.038 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.406 9.589 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.793 7.135 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.982 7.157 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.537 5.931 -1.343 1.00 0.00 H new ATOM 329 N HIS A 22 -0.958 9.287 -0.554 1.00 0.00 N ATOM 330 CA HIS A 22 -0.134 10.491 -0.500 1.00 0.00 C ATOM 331 C HIS A 22 1.114 10.338 -1.361 1.00 0.00 C ATOM 332 O HIS A 22 1.429 11.212 -2.162 1.00 0.00 O ATOM 333 CB HIS A 22 0.259 10.824 0.939 1.00 0.00 C ATOM 334 CG HIS A 22 0.854 12.206 0.990 1.00 0.00 C ATOM 335 ND1 HIS A 22 0.109 13.333 0.683 1.00 0.00 N ATOM 336 CD2 HIS A 22 2.106 12.663 1.322 1.00 0.00 C ATOM 337 CE1 HIS A 22 0.909 14.403 0.834 1.00 0.00 C ATOM 338 NE2 HIS A 22 2.138 14.051 1.221 1.00 0.00 N ATOM 0 H HIS A 22 -1.005 8.755 0.315 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.729 11.314 -0.895 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.615 10.769 1.588 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.978 10.093 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.938 12.041 1.616 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.596 15.422 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.930 14.667 1.403 1.00 0.00 H new ATOM 346 N ALA A 23 1.819 9.229 -1.195 1.00 0.00 N ATOM 347 CA ALA A 23 3.033 8.984 -1.977 1.00 0.00 C ATOM 348 C ALA A 23 2.716 8.830 -3.465 1.00 0.00 C ATOM 349 O ALA A 23 3.567 9.103 -4.314 1.00 0.00 O ATOM 350 CB ALA A 23 3.749 7.722 -1.486 1.00 0.00 C ATOM 0 H ALA A 23 1.580 8.489 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 23 3.682 9.849 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.648 7.559 -2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.024 7.844 -0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.085 6.864 -1.589 1.00 0.00 H new ATOM 356 N ALA A 24 1.499 8.385 -3.783 1.00 0.00 N ATOM 357 CA ALA A 24 1.107 8.197 -5.174 1.00 0.00 C ATOM 358 C ALA A 24 0.478 9.457 -5.737 1.00 0.00 C ATOM 359 O ALA A 24 0.139 9.505 -6.902 1.00 0.00 O ATOM 360 CB ALA A 24 0.119 7.054 -5.273 1.00 0.00 C ATOM 0 H ALA A 24 0.777 8.151 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 24 2.001 7.968 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.173 6.915 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.582 6.140 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.764 7.283 -4.676 1.00 0.00 H new ATOM 366 N GLN A 25 0.331 10.467 -4.896 1.00 0.00 N ATOM 367 CA GLN A 25 -0.244 11.748 -5.287 1.00 0.00 C ATOM 368 C GLN A 25 0.787 12.846 -5.116 1.00 0.00 C ATOM 369 O GLN A 25 0.849 13.783 -5.907 1.00 0.00 O ATOM 370 CB GLN A 25 -1.439 12.026 -4.382 1.00 0.00 C ATOM 371 CG GLN A 25 -2.572 11.045 -4.693 1.00 0.00 C ATOM 372 CD GLN A 25 -3.464 11.573 -5.791 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.640 12.782 -5.945 1.00 0.00 O ATOM 374 NE2 GLN A 25 -4.039 10.720 -6.566 1.00 0.00 N ATOM 0 H GLN A 25 0.608 10.423 -3.915 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.556 11.718 -6.331 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.143 11.933 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.784 13.050 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.153 10.084 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.162 10.870 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.885 9.721 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.648 11.043 -7.318 1.00 0.00 H new ATOM 383 N CYS A 26 1.626 12.698 -4.099 1.00 0.00 N ATOM 384 CA CYS A 26 2.691 13.661 -3.856 1.00 0.00 C ATOM 385 C CYS A 26 3.990 13.071 -4.368 1.00 0.00 C ATOM 386 O CYS A 26 4.788 12.525 -3.606 1.00 0.00 O ATOM 387 CB CYS A 26 2.807 13.968 -2.362 1.00 0.00 C ATOM 388 SG CYS A 26 4.086 15.222 -2.104 1.00 0.00 S ATOM 0 H CYS A 26 1.590 11.926 -3.433 1.00 0.00 H new ATOM 0 HA CYS A 26 2.470 14.594 -4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.851 14.323 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.055 13.061 -1.811 1.00 0.00 H new ATOM 0 HG CYS A 26 4.185 15.486 -0.835 1.00 0.00 H new ATOM 394 N ARG A 27 4.180 13.177 -5.673 1.00 0.00 N ATOM 395 CA ARG A 27 5.369 12.649 -6.317 1.00 0.00 C ATOM 396 C ARG A 27 6.479 13.699 -6.240 1.00 0.00 C ATOM 397 O ARG A 27 7.078 14.093 -7.238 1.00 0.00 O ATOM 398 CB ARG A 27 5.009 12.282 -7.768 1.00 0.00 C ATOM 399 CG ARG A 27 6.210 11.654 -8.513 1.00 0.00 C ATOM 400 CD ARG A 27 6.329 10.163 -8.174 1.00 0.00 C ATOM 401 NE ARG A 27 7.474 9.585 -8.871 1.00 0.00 N ATOM 402 CZ ARG A 27 8.701 9.647 -8.358 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.898 10.232 -7.208 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.706 9.126 -9.006 1.00 0.00 N ATOM 0 H ARG A 27 3.521 13.627 -6.309 1.00 0.00 H new ATOM 0 HA ARG A 27 5.732 11.749 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.173 11.582 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.678 13.175 -8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.085 11.780 -9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.129 12.171 -8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.444 10.034 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.416 9.642 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 27 7.331 9.124 -9.770 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.112 10.641 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.838 10.280 -6.814 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.552 8.671 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.646 9.174 -8.613 1.00 0.00 H new ATOM 418 N ASN A 28 6.721 14.169 -5.024 1.00 0.00 N ATOM 419 CA ASN A 28 7.745 15.180 -4.795 1.00 0.00 C ATOM 420 C ASN A 28 9.137 14.596 -5.020 1.00 0.00 C ATOM 421 O ASN A 28 10.005 15.250 -5.595 1.00 0.00 O ATOM 422 CB ASN A 28 7.640 15.708 -3.364 1.00 0.00 C ATOM 423 CG ASN A 28 8.652 16.828 -3.151 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.742 16.594 -2.629 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.352 18.041 -3.529 1.00 0.00 N ATOM 0 H ASN A 28 6.225 13.869 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 28 7.588 15.996 -5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.631 16.076 -3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.822 14.901 -2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.022 18.798 -3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.448 18.232 -3.961 1.00 0.00 H new ATOM 432 N ALA A 29 9.324 13.368 -4.527 1.00 0.00 N ATOM 433 CA ALA A 29 10.599 12.642 -4.614 1.00 0.00 C ATOM 434 C ALA A 29 11.375 12.795 -3.311 1.00 0.00 C ATOM 435 O ALA A 29 11.895 11.822 -2.765 1.00 0.00 O ATOM 436 CB ALA A 29 11.462 13.132 -5.787 1.00 0.00 C ATOM 0 H ALA A 29 8.590 12.844 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 29 10.365 11.592 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.394 12.568 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.922 12.984 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.682 14.192 -5.659 1.00 0.00 H new ATOM 442 N ASN A 30 11.445 14.029 -2.817 1.00 0.00 N ATOM 443 CA ASN A 30 12.156 14.321 -1.576 1.00 0.00 C ATOM 444 C ASN A 30 11.191 14.322 -0.395 1.00 0.00 C ATOM 445 O ASN A 30 11.518 14.839 0.675 1.00 0.00 O ATOM 446 CB ASN A 30 12.830 15.691 -1.678 1.00 0.00 C ATOM 447 CG ASN A 30 13.972 15.637 -2.686 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.451 14.556 -3.025 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.438 16.748 -3.189 1.00 0.00 N ATOM 0 H ASN A 30 11.017 14.843 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 30 12.909 13.549 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.101 16.442 -1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.210 15.992 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.201 16.721 -3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.039 17.643 -2.906 1.00 0.00 H new ATOM 456 N CYS A 31 9.997 13.753 -0.603 1.00 0.00 N ATOM 457 CA CYS A 31 8.968 13.699 0.443 1.00 0.00 C ATOM 458 C CYS A 31 9.598 13.586 1.835 1.00 0.00 C ATOM 459 O CYS A 31 10.544 12.824 2.035 1.00 0.00 O ATOM 460 CB CYS A 31 8.049 12.506 0.195 1.00 0.00 C ATOM 461 SG CYS A 31 6.584 12.646 1.251 1.00 0.00 S ATOM 0 H CYS A 31 9.720 13.324 -1.486 1.00 0.00 H new ATOM 0 HA CYS A 31 8.392 14.624 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.753 12.472 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.577 11.576 0.407 1.00 0.00 H new ATOM 0 HG CYS A 31 5.831 11.599 1.090 1.00 0.00 H new ATOM 467 N SER A 32 9.088 14.367 2.790 1.00 0.00 N ATOM 468 CA SER A 32 9.630 14.364 4.146 1.00 0.00 C ATOM 469 C SER A 32 8.946 13.343 5.039 1.00 0.00 C ATOM 470 O SER A 32 9.187 13.319 6.244 1.00 0.00 O ATOM 471 CB SER A 32 9.485 15.741 4.773 1.00 0.00 C ATOM 472 OG SER A 32 8.127 16.156 4.698 1.00 0.00 O ATOM 0 H SER A 32 8.305 15.005 2.649 1.00 0.00 H new ATOM 0 HA SER A 32 10.683 14.093 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.811 15.715 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.124 16.457 4.256 1.00 0.00 H new ATOM 0 HG SER A 32 8.033 17.043 5.104 1.00 0.00 H new ATOM 478 N LEU A 33 8.109 12.489 4.456 1.00 0.00 N ATOM 479 CA LEU A 33 7.430 11.454 5.226 1.00 0.00 C ATOM 480 C LEU A 33 8.154 10.129 5.005 1.00 0.00 C ATOM 481 O LEU A 33 8.031 9.530 3.939 1.00 0.00 O ATOM 482 CB LEU A 33 5.963 11.352 4.778 1.00 0.00 C ATOM 483 CG LEU A 33 5.170 12.602 5.272 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.290 13.163 4.148 1.00 0.00 C ATOM 485 CD2 LEU A 33 4.261 12.227 6.456 1.00 0.00 C ATOM 0 H LEU A 33 7.887 12.493 3.461 1.00 0.00 H new ATOM 0 HA LEU A 33 7.445 11.701 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.909 11.282 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.513 10.443 5.178 1.00 0.00 H new ATOM 0 HG LEU A 33 5.896 13.353 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.745 14.034 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.917 13.454 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.581 12.400 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.715 13.109 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.554 11.459 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.870 11.846 7.276 1.00 0.00 H new ATOM 497 N PRO A 34 8.931 9.657 5.960 1.00 0.00 N ATOM 498 CA PRO A 34 9.686 8.391 5.782 1.00 0.00 C ATOM 499 C PRO A 34 8.813 7.304 5.169 1.00 0.00 C ATOM 500 O PRO A 34 9.294 6.458 4.417 1.00 0.00 O ATOM 501 CB PRO A 34 10.130 8.029 7.203 1.00 0.00 C ATOM 502 CG PRO A 34 10.252 9.342 7.905 1.00 0.00 C ATOM 503 CD PRO A 34 9.187 10.254 7.289 1.00 0.00 C ATOM 0 HA PRO A 34 10.527 8.494 5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.402 7.383 7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.079 7.493 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.093 9.227 8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.249 9.763 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.282 10.279 7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.542 11.281 7.204 1.00 0.00 H new ATOM 511 N SER A 35 7.527 7.346 5.485 1.00 0.00 N ATOM 512 CA SER A 35 6.591 6.373 4.946 1.00 0.00 C ATOM 513 C SER A 35 6.471 6.543 3.437 1.00 0.00 C ATOM 514 O SER A 35 6.291 5.568 2.711 1.00 0.00 O ATOM 515 CB SER A 35 5.221 6.542 5.602 1.00 0.00 C ATOM 516 OG SER A 35 5.283 6.072 6.943 1.00 0.00 O ATOM 0 H SER A 35 7.111 8.039 6.108 1.00 0.00 H new ATOM 0 HA SER A 35 6.963 5.371 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.923 7.590 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.467 5.987 5.044 1.00 0.00 H new ATOM 0 HG SER A 35 4.407 6.180 7.368 1.00 0.00 H new ATOM 522 N CYS A 36 6.572 7.782 2.962 1.00 0.00 N ATOM 523 CA CYS A 36 6.475 8.027 1.524 1.00 0.00 C ATOM 524 C CYS A 36 7.712 7.493 0.805 1.00 0.00 C ATOM 525 O CYS A 36 7.601 6.713 -0.138 1.00 0.00 O ATOM 526 CB CYS A 36 6.323 9.523 1.254 1.00 0.00 C ATOM 527 SG CYS A 36 4.574 9.971 1.328 1.00 0.00 S ATOM 0 H CYS A 36 6.717 8.614 3.534 1.00 0.00 H new ATOM 0 HA CYS A 36 5.597 7.505 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.888 10.096 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.732 9.770 0.274 1.00 0.00 H new ATOM 0 HG CYS A 36 4.310 10.843 0.400 1.00 0.00 H new ATOM 533 N GLN A 37 8.885 7.929 1.247 1.00 0.00 N ATOM 534 CA GLN A 37 10.128 7.508 0.630 1.00 0.00 C ATOM 535 C GLN A 37 10.208 6.005 0.531 1.00 0.00 C ATOM 536 O GLN A 37 10.702 5.459 -0.454 1.00 0.00 O ATOM 537 CB GLN A 37 11.306 7.975 1.470 1.00 0.00 C ATOM 538 CG GLN A 37 11.318 9.504 1.536 1.00 0.00 C ATOM 539 CD GLN A 37 12.570 9.990 2.258 1.00 0.00 C ATOM 540 OE1 GLN A 37 13.497 9.214 2.486 1.00 0.00 O ATOM 541 NE2 GLN A 37 12.647 11.235 2.646 1.00 0.00 N ATOM 0 H GLN A 37 8.997 8.573 2.030 1.00 0.00 H new ATOM 0 HA GLN A 37 10.160 7.945 -0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.236 7.558 2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.239 7.613 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.286 9.919 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.428 9.860 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.877 11.877 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.477 11.565 3.139 1.00 0.00 H new ATOM 550 N LYS A 38 9.724 5.338 1.562 1.00 0.00 N ATOM 551 CA LYS A 38 9.749 3.901 1.591 1.00 0.00 C ATOM 552 C LYS A 38 8.656 3.361 0.673 1.00 0.00 C ATOM 553 O LYS A 38 8.809 2.295 0.071 1.00 0.00 O ATOM 554 CB LYS A 38 9.652 3.414 3.068 1.00 0.00 C ATOM 555 CG LYS A 38 8.741 2.180 3.228 1.00 0.00 C ATOM 556 CD LYS A 38 7.305 2.667 3.412 1.00 0.00 C ATOM 557 CE LYS A 38 6.329 1.496 3.317 1.00 0.00 C ATOM 558 NZ LYS A 38 4.969 1.957 3.710 1.00 0.00 N ATOM 0 H LYS A 38 9.311 5.774 2.386 1.00 0.00 H new ATOM 0 HA LYS A 38 10.689 3.507 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.650 3.174 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.272 4.225 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.815 1.537 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.054 1.586 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.202 3.157 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.066 3.410 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.313 1.103 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.653 0.684 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.641 1.411 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.002 2.967 3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.312 1.816 2.916 1.00 0.00 H new ATOM 572 N MET A 39 7.554 4.107 0.549 1.00 0.00 N ATOM 573 CA MET A 39 6.476 3.681 -0.323 1.00 0.00 C ATOM 574 C MET A 39 6.869 3.935 -1.762 1.00 0.00 C ATOM 575 O MET A 39 6.520 3.171 -2.658 1.00 0.00 O ATOM 576 CB MET A 39 5.144 4.379 0.008 1.00 0.00 C ATOM 577 CG MET A 39 4.350 3.619 1.095 1.00 0.00 C ATOM 578 SD MET A 39 4.068 1.888 0.617 1.00 0.00 S ATOM 579 CE MET A 39 3.147 2.209 -0.906 1.00 0.00 C ATOM 0 H MET A 39 7.394 4.990 1.034 1.00 0.00 H new ATOM 0 HA MET A 39 6.315 2.614 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.341 5.396 0.347 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.540 4.456 -0.896 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.895 3.654 2.038 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.393 4.113 1.262 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.507 1.356 -1.131 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.532 3.100 -0.779 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.846 2.365 -1.728 1.00 0.00 H new ATOM 589 N LYS A 40 7.625 4.996 -1.987 1.00 0.00 N ATOM 590 CA LYS A 40 8.073 5.263 -3.327 1.00 0.00 C ATOM 591 C LYS A 40 9.002 4.150 -3.708 1.00 0.00 C ATOM 592 O LYS A 40 8.935 3.604 -4.788 1.00 0.00 O ATOM 593 CB LYS A 40 8.760 6.618 -3.443 1.00 0.00 C ATOM 594 CG LYS A 40 7.713 7.718 -3.252 1.00 0.00 C ATOM 595 CD LYS A 40 8.365 9.093 -3.382 1.00 0.00 C ATOM 596 CE LYS A 40 7.321 10.171 -3.092 1.00 0.00 C ATOM 597 NZ LYS A 40 7.964 11.510 -3.163 1.00 0.00 N ATOM 0 H LYS A 40 7.930 5.663 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 40 7.219 5.307 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.545 6.709 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.238 6.717 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.922 7.611 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.246 7.620 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.199 9.181 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.771 9.223 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.506 10.108 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.886 10.016 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.278 12.240 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.780 11.538 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.284 11.690 -4.136 1.00 0.00 H new ATOM 611 N ARG A 41 9.827 3.776 -2.762 1.00 0.00 N ATOM 612 CA ARG A 41 10.738 2.684 -2.950 1.00 0.00 C ATOM 613 C ARG A 41 9.939 1.477 -3.400 1.00 0.00 C ATOM 614 O ARG A 41 10.381 0.735 -4.233 1.00 0.00 O ATOM 615 CB ARG A 41 11.444 2.401 -1.621 1.00 0.00 C ATOM 616 CG ARG A 41 12.819 1.770 -1.873 1.00 0.00 C ATOM 617 CD ARG A 41 13.506 1.505 -0.534 1.00 0.00 C ATOM 618 NE ARG A 41 13.894 2.761 0.099 1.00 0.00 N ATOM 619 CZ ARG A 41 15.032 3.373 -0.225 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.820 2.851 -1.126 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.359 4.492 0.359 1.00 0.00 N ATOM 0 H ARG A 41 9.883 4.220 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 41 11.490 2.920 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.559 3.327 -1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.835 1.732 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.708 0.839 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.431 2.435 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.834 0.952 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.387 0.881 -0.688 1.00 0.00 H new ATOM 0 HE ARG A 41 13.283 3.178 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.564 1.975 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.691 3.319 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.744 4.898 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.230 4.961 0.111 1.00 0.00 H new ATOM 635 N VAL A 42 8.748 1.326 -2.833 1.00 0.00 N ATOM 636 CA VAL A 42 7.841 0.227 -3.173 1.00 0.00 C ATOM 637 C VAL A 42 7.191 0.454 -4.548 1.00 0.00 C ATOM 638 O VAL A 42 7.157 -0.453 -5.381 1.00 0.00 O ATOM 639 CB VAL A 42 6.752 0.091 -2.085 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.641 -0.847 -2.560 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.386 -0.475 -0.812 1.00 0.00 C ATOM 0 H VAL A 42 8.380 1.960 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 42 8.420 -0.695 -3.221 1.00 0.00 H new ATOM 0 HB VAL A 42 6.322 1.072 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.881 -0.933 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.189 -0.446 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.060 -1.831 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.624 -0.574 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.817 -1.453 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.169 0.199 -0.465 1.00 0.00 H new ATOM 651 N VAL A 43 6.676 1.665 -4.777 1.00 0.00 N ATOM 652 CA VAL A 43 6.036 1.990 -6.045 1.00 0.00 C ATOM 653 C VAL A 43 7.082 2.122 -7.151 1.00 0.00 C ATOM 654 O VAL A 43 6.978 1.495 -8.206 1.00 0.00 O ATOM 655 CB VAL A 43 5.240 3.288 -5.916 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.608 3.638 -7.265 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.135 3.096 -4.875 1.00 0.00 C ATOM 0 H VAL A 43 6.692 2.430 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 43 5.353 1.182 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 43 5.904 4.095 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.041 4.564 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.392 3.766 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.941 2.833 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.563 4.019 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.473 2.290 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.581 2.843 -3.913 1.00 0.00 H new ATOM 667 N GLN A 44 8.098 2.933 -6.885 1.00 0.00 N ATOM 668 CA GLN A 44 9.181 3.151 -7.827 1.00 0.00 C ATOM 669 C GLN A 44 9.808 1.811 -8.220 1.00 0.00 C ATOM 670 O GLN A 44 10.211 1.627 -9.370 1.00 0.00 O ATOM 671 CB GLN A 44 10.241 4.079 -7.208 1.00 0.00 C ATOM 672 CG GLN A 44 9.630 5.455 -6.931 1.00 0.00 C ATOM 673 CD GLN A 44 9.288 6.152 -8.246 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.135 6.250 -9.135 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.093 6.646 -8.422 1.00 0.00 N ATOM 0 H GLN A 44 8.192 3.455 -6.014 1.00 0.00 H new ATOM 0 HA GLN A 44 8.783 3.628 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.620 3.646 -6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.090 4.178 -7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.732 5.347 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.330 6.064 -6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.393 6.564 -7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.859 7.114 -9.297 1.00 0.00 H new ATOM 684 N HIS A 45 9.868 0.862 -7.273 1.00 0.00 N ATOM 685 CA HIS A 45 10.428 -0.466 -7.577 1.00 0.00 C ATOM 686 C HIS A 45 9.365 -1.336 -8.218 1.00 0.00 C ATOM 687 O HIS A 45 9.675 -2.208 -9.031 1.00 0.00 O ATOM 688 CB HIS A 45 10.973 -1.125 -6.290 1.00 0.00 C ATOM 689 CG HIS A 45 10.707 -2.603 -6.259 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.282 -3.483 -7.153 1.00 0.00 N ATOM 691 CD2 HIS A 45 9.898 -3.358 -5.447 1.00 0.00 C ATOM 692 CE1 HIS A 45 10.816 -4.709 -6.862 1.00 0.00 C ATOM 693 NE2 HIS A 45 9.968 -4.687 -5.831 1.00 0.00 N ATOM 0 H HIS A 45 9.545 0.983 -6.313 1.00 0.00 H new ATOM 0 HA HIS A 45 11.256 -0.354 -8.277 1.00 0.00 H new ATOM 0 HB2 HIS A 45 12.046 -0.948 -6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.514 -0.656 -5.420 1.00 0.00 H new ATOM 0 HD1 HIS A 45 11.939 -3.247 -7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.299 -2.975 -4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.094 -5.605 -7.398 1.00 0.00 H new ATOM 701 N THR A 46 8.120 -1.121 -7.838 1.00 0.00 N ATOM 702 CA THR A 46 7.050 -1.933 -8.391 1.00 0.00 C ATOM 703 C THR A 46 6.997 -1.811 -9.904 1.00 0.00 C ATOM 704 O THR A 46 6.879 -2.815 -10.606 1.00 0.00 O ATOM 705 CB THR A 46 5.708 -1.499 -7.778 1.00 0.00 C ATOM 706 OG1 THR A 46 5.590 -2.037 -6.468 1.00 0.00 O ATOM 707 CG2 THR A 46 4.509 -1.955 -8.633 1.00 0.00 C ATOM 0 H THR A 46 7.828 -0.411 -7.167 1.00 0.00 H new ATOM 0 HA THR A 46 7.244 -2.977 -8.145 1.00 0.00 H new ATOM 0 HB THR A 46 5.695 -0.410 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.084 -1.473 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.582 -1.627 -8.163 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.585 -1.518 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.511 -3.042 -8.712 1.00 0.00 H new ATOM 715 N LYS A 47 7.055 -0.594 -10.405 1.00 0.00 N ATOM 716 CA LYS A 47 6.983 -0.399 -11.840 1.00 0.00 C ATOM 717 C LYS A 47 8.256 -0.874 -12.532 1.00 0.00 C ATOM 718 O LYS A 47 8.198 -1.463 -13.613 1.00 0.00 O ATOM 719 CB LYS A 47 6.729 1.073 -12.179 1.00 0.00 C ATOM 720 CG LYS A 47 5.370 1.505 -11.624 1.00 0.00 C ATOM 721 CD LYS A 47 4.979 2.860 -12.219 1.00 0.00 C ATOM 722 CE LYS A 47 5.974 3.937 -11.778 1.00 0.00 C ATOM 723 NZ LYS A 47 5.386 5.285 -12.021 1.00 0.00 N ATOM 0 H LYS A 47 7.150 0.259 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 47 6.148 -0.997 -12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.519 1.694 -11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.753 1.216 -13.259 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.613 0.759 -11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.415 1.573 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.960 2.796 -13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.973 3.130 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.212 3.817 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.909 3.831 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.061 6.017 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.181 5.397 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.505 5.383 -11.477 1.00 0.00 H new ATOM 737 N GLY A 48 9.409 -0.613 -11.916 1.00 0.00 N ATOM 738 CA GLY A 48 10.674 -1.025 -12.508 1.00 0.00 C ATOM 739 C GLY A 48 10.593 -2.465 -13.000 1.00 0.00 C ATOM 740 O GLY A 48 11.392 -2.893 -13.832 1.00 0.00 O ATOM 0 H GLY A 48 9.490 -0.127 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.925 -0.365 -13.338 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.473 -0.931 -11.773 1.00 0.00 H new ATOM 744 N CYS A 49 9.619 -3.206 -12.477 1.00 0.00 N ATOM 745 CA CYS A 49 9.427 -4.609 -12.865 1.00 0.00 C ATOM 746 C CYS A 49 8.119 -4.805 -13.640 1.00 0.00 C ATOM 747 O CYS A 49 7.059 -4.339 -13.215 1.00 0.00 O ATOM 748 CB CYS A 49 9.402 -5.468 -11.615 1.00 0.00 C ATOM 749 SG CYS A 49 9.588 -7.212 -12.074 1.00 0.00 S ATOM 0 H CYS A 49 8.951 -2.864 -11.786 1.00 0.00 H new ATOM 0 HA CYS A 49 10.252 -4.901 -13.515 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.205 -5.171 -10.941 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.465 -5.320 -11.078 1.00 0.00 H new ATOM 0 HG CYS A 49 9.421 -7.958 -11.022 1.00 0.00 H new ATOM 755 N LYS A 50 8.198 -5.515 -14.768 1.00 0.00 N ATOM 756 CA LYS A 50 7.021 -5.785 -15.586 1.00 0.00 C ATOM 757 C LYS A 50 6.302 -7.045 -15.102 1.00 0.00 C ATOM 758 O LYS A 50 5.082 -7.153 -15.223 1.00 0.00 O ATOM 759 CB LYS A 50 7.436 -5.959 -17.053 1.00 0.00 C ATOM 760 CG LYS A 50 8.033 -4.655 -17.609 1.00 0.00 C ATOM 761 CD LYS A 50 6.919 -3.657 -17.956 1.00 0.00 C ATOM 762 CE LYS A 50 7.534 -2.401 -18.574 1.00 0.00 C ATOM 763 NZ LYS A 50 6.448 -1.443 -18.927 1.00 0.00 N ATOM 0 H LYS A 50 9.064 -5.911 -15.132 1.00 0.00 H new ATOM 0 HA LYS A 50 6.339 -4.940 -15.498 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.167 -6.763 -17.136 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.571 -6.251 -17.648 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.707 -4.215 -16.874 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.626 -4.870 -18.498 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.214 -4.110 -18.653 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.357 -3.396 -17.059 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.228 -1.939 -17.872 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.107 -2.663 -19.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.863 -0.587 -19.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.802 -1.887 -19.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.920 -1.186 -18.069 1.00 0.00 H new ATOM 777 N ARG A 51 7.060 -7.990 -14.551 1.00 0.00 N ATOM 778 CA ARG A 51 6.473 -9.227 -14.051 1.00 0.00 C ATOM 779 C ARG A 51 5.762 -8.975 -12.735 1.00 0.00 C ATOM 780 O ARG A 51 4.615 -9.381 -12.545 1.00 0.00 O ATOM 781 CB ARG A 51 7.564 -10.287 -13.851 1.00 0.00 C ATOM 782 CG ARG A 51 6.967 -11.551 -13.175 1.00 0.00 C ATOM 783 CD ARG A 51 7.315 -11.580 -11.677 1.00 0.00 C ATOM 784 NE ARG A 51 8.745 -11.807 -11.500 1.00 0.00 N ATOM 785 CZ ARG A 51 9.268 -13.022 -11.631 1.00 0.00 C ATOM 786 NH1 ARG A 51 8.500 -14.031 -11.941 1.00 0.00 N ATOM 787 NH2 ARG A 51 10.547 -13.205 -11.453 1.00 0.00 N ATOM 0 H ARG A 51 8.072 -7.923 -14.441 1.00 0.00 H new ATOM 0 HA ARG A 51 5.752 -9.589 -14.783 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.003 -10.553 -14.812 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.367 -9.881 -13.235 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.885 -11.561 -13.303 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.354 -12.447 -13.661 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.028 -10.638 -11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.749 -12.368 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 51 9.353 -11.021 -11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.500 -13.886 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.900 -14.964 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.147 -12.416 -11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.948 -14.138 -11.554 1.00 0.00 H new ATOM 801 N LYS A 52 6.449 -8.288 -11.833 1.00 0.00 N ATOM 802 CA LYS A 52 5.875 -7.971 -10.544 1.00 0.00 C ATOM 803 C LYS A 52 4.700 -7.020 -10.722 1.00 0.00 C ATOM 804 O LYS A 52 3.695 -7.115 -10.017 1.00 0.00 O ATOM 805 CB LYS A 52 6.962 -7.385 -9.610 1.00 0.00 C ATOM 806 CG LYS A 52 6.358 -6.331 -8.674 1.00 0.00 C ATOM 807 CD LYS A 52 7.351 -5.940 -7.580 1.00 0.00 C ATOM 808 CE LYS A 52 6.587 -5.239 -6.455 1.00 0.00 C ATOM 809 NZ LYS A 52 7.537 -4.798 -5.394 1.00 0.00 N ATOM 0 H LYS A 52 7.399 -7.944 -11.974 1.00 0.00 H new ATOM 0 HA LYS A 52 5.496 -8.879 -10.075 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.414 -8.184 -9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.758 -6.937 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.076 -5.448 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.446 -6.721 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.860 -6.825 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.119 -5.280 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.047 -4.379 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.844 -5.915 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.385 -5.364 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.514 -4.929 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.376 -3.793 -5.180 1.00 0.00 H new ATOM 823 N THR A 53 4.845 -6.086 -11.649 1.00 0.00 N ATOM 824 CA THR A 53 3.801 -5.111 -11.881 1.00 0.00 C ATOM 825 C THR A 53 2.493 -5.798 -12.259 1.00 0.00 C ATOM 826 O THR A 53 1.428 -5.184 -12.224 1.00 0.00 O ATOM 827 CB THR A 53 4.240 -4.119 -12.981 1.00 0.00 C ATOM 828 OG1 THR A 53 5.119 -3.157 -12.419 1.00 0.00 O ATOM 829 CG2 THR A 53 3.032 -3.397 -13.611 1.00 0.00 C ATOM 0 H THR A 53 5.667 -5.986 -12.245 1.00 0.00 H new ATOM 0 HA THR A 53 3.631 -4.555 -10.959 1.00 0.00 H new ATOM 0 HB THR A 53 4.743 -4.684 -13.766 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.984 -3.576 -12.230 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.381 -2.708 -14.380 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.362 -4.131 -14.058 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.498 -2.841 -12.840 1.00 0.00 H new ATOM 837 N ASN A 54 2.580 -7.069 -12.629 1.00 0.00 N ATOM 838 CA ASN A 54 1.394 -7.823 -13.020 1.00 0.00 C ATOM 839 C ASN A 54 0.801 -8.567 -11.828 1.00 0.00 C ATOM 840 O ASN A 54 -0.134 -9.352 -11.993 1.00 0.00 O ATOM 841 CB ASN A 54 1.759 -8.835 -14.107 1.00 0.00 C ATOM 842 CG ASN A 54 2.151 -8.109 -15.388 1.00 0.00 C ATOM 843 OD1 ASN A 54 1.877 -6.918 -15.536 1.00 0.00 O ATOM 844 ND2 ASN A 54 2.778 -8.760 -16.329 1.00 0.00 N ATOM 0 H ASN A 54 3.452 -7.597 -12.667 1.00 0.00 H new ATOM 0 HA ASN A 54 0.654 -7.117 -13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.584 -9.462 -13.769 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.913 -9.496 -14.298 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.043 -8.282 -17.190 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.004 -9.747 -16.203 1.00 0.00 H new ATOM 851 N GLY A 55 1.348 -8.342 -10.625 1.00 0.00 N ATOM 852 CA GLY A 55 0.845 -9.040 -9.433 1.00 0.00 C ATOM 853 C GLY A 55 1.820 -10.131 -9.028 1.00 0.00 C ATOM 854 O GLY A 55 1.621 -10.821 -8.028 1.00 0.00 O ATOM 0 H GLY A 55 2.120 -7.698 -10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.715 -8.333 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.134 -9.472 -9.639 1.00 0.00 H new ATOM 858 N GLY A 56 2.869 -10.289 -9.827 1.00 0.00 N ATOM 859 CA GLY A 56 3.870 -11.310 -9.570 1.00 0.00 C ATOM 860 C GLY A 56 4.198 -11.408 -8.087 1.00 0.00 C ATOM 861 O GLY A 56 4.091 -12.485 -7.498 1.00 0.00 O ATOM 0 H GLY A 56 3.046 -9.722 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.509 -12.274 -9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.777 -11.081 -10.130 1.00 0.00 H new ATOM 865 N CYS A 57 4.636 -10.295 -7.482 1.00 0.00 N ATOM 866 CA CYS A 57 5.005 -10.306 -6.092 1.00 0.00 C ATOM 867 C CYS A 57 3.800 -10.019 -5.188 1.00 0.00 C ATOM 868 O CYS A 57 2.837 -9.384 -5.618 1.00 0.00 O ATOM 869 CB CYS A 57 6.101 -9.249 -5.861 1.00 0.00 C ATOM 870 SG CYS A 57 7.508 -9.991 -4.984 1.00 0.00 S ATOM 0 H CYS A 57 4.737 -9.391 -7.944 1.00 0.00 H new ATOM 0 HA CYS A 57 5.377 -11.298 -5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.432 -8.842 -6.816 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.699 -8.417 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 57 7.520 -9.575 -3.752 1.00 0.00 H new ATOM 876 N PRO A 58 3.853 -10.426 -3.939 1.00 0.00 N ATOM 877 CA PRO A 58 2.753 -10.147 -2.969 1.00 0.00 C ATOM 878 C PRO A 58 2.534 -8.644 -2.829 1.00 0.00 C ATOM 879 O PRO A 58 1.431 -8.184 -2.532 1.00 0.00 O ATOM 880 CB PRO A 58 3.257 -10.756 -1.646 1.00 0.00 C ATOM 881 CG PRO A 58 4.285 -11.755 -2.053 1.00 0.00 C ATOM 882 CD PRO A 58 4.942 -11.189 -3.304 1.00 0.00 C ATOM 0 HA PRO A 58 1.797 -10.566 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.684 -9.992 -0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.445 -11.227 -1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.018 -11.906 -1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.830 -12.724 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.791 -10.551 -3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.314 -11.979 -3.956 1.00 0.00 H new ATOM 890 N ILE A 59 3.605 -7.888 -3.059 1.00 0.00 N ATOM 891 CA ILE A 59 3.537 -6.444 -2.979 1.00 0.00 C ATOM 892 C ILE A 59 2.623 -5.931 -4.072 1.00 0.00 C ATOM 893 O ILE A 59 1.757 -5.102 -3.821 1.00 0.00 O ATOM 894 CB ILE A 59 4.949 -5.831 -3.121 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.709 -5.952 -1.797 1.00 0.00 C ATOM 896 CG2 ILE A 59 4.880 -4.345 -3.529 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.136 -5.422 -1.987 1.00 0.00 C ATOM 0 H ILE A 59 4.525 -8.257 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 59 3.138 -6.151 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 59 5.471 -6.382 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.199 -5.386 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.734 -6.992 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.890 -3.945 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.366 -4.254 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.335 -3.784 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.683 -5.505 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.642 -6.007 -2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.098 -4.377 -2.293 1.00 0.00 H new ATOM 909 N CYS A 60 2.809 -6.433 -5.290 1.00 0.00 N ATOM 910 CA CYS A 60 1.980 -5.998 -6.388 1.00 0.00 C ATOM 911 C CYS A 60 0.611 -6.640 -6.282 1.00 0.00 C ATOM 912 O CYS A 60 -0.407 -5.991 -6.492 1.00 0.00 O ATOM 913 CB CYS A 60 2.647 -6.303 -7.743 1.00 0.00 C ATOM 914 SG CYS A 60 3.644 -4.888 -8.240 1.00 0.00 S ATOM 0 H CYS A 60 3.516 -7.128 -5.530 1.00 0.00 H new ATOM 0 HA CYS A 60 1.858 -4.916 -6.331 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.271 -7.193 -7.663 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.888 -6.512 -8.497 1.00 0.00 H new ATOM 0 HG CYS A 60 3.764 -4.068 -7.238 1.00 0.00 H new ATOM 920 N LYS A 61 0.584 -7.910 -5.926 1.00 0.00 N ATOM 921 CA LYS A 61 -0.693 -8.594 -5.783 1.00 0.00 C ATOM 922 C LYS A 61 -1.528 -7.900 -4.709 1.00 0.00 C ATOM 923 O LYS A 61 -2.708 -7.602 -4.912 1.00 0.00 O ATOM 924 CB LYS A 61 -0.461 -10.056 -5.403 1.00 0.00 C ATOM 925 CG LYS A 61 -1.710 -10.873 -5.737 1.00 0.00 C ATOM 926 CD LYS A 61 -1.582 -12.275 -5.151 1.00 0.00 C ATOM 927 CE LYS A 61 -0.432 -13.027 -5.830 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.570 -14.486 -5.563 1.00 0.00 N ATOM 0 H LYS A 61 1.408 -8.480 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.229 -8.558 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.400 -10.451 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.235 -10.135 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.596 -10.381 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.840 -10.931 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.403 -12.214 -4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.515 -12.821 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.444 -12.840 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.525 -12.666 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.209 -14.998 -6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.538 -14.656 -4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.478 -14.824 -5.942 1.00 0.00 H new ATOM 942 N GLN A 62 -0.897 -7.635 -3.569 1.00 0.00 N ATOM 943 CA GLN A 62 -1.577 -6.967 -2.466 1.00 0.00 C ATOM 944 C GLN A 62 -1.898 -5.516 -2.820 1.00 0.00 C ATOM 945 O GLN A 62 -2.985 -5.022 -2.521 1.00 0.00 O ATOM 946 CB GLN A 62 -0.702 -7.006 -1.210 1.00 0.00 C ATOM 947 CG GLN A 62 -1.480 -6.432 -0.023 1.00 0.00 C ATOM 948 CD GLN A 62 -0.658 -6.572 1.254 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.281 -7.367 1.304 1.00 0.00 O ATOM 950 NE2 GLN A 62 -0.957 -5.845 2.295 1.00 0.00 N ATOM 0 H GLN A 62 0.078 -7.871 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.512 -7.494 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.399 -8.031 -0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.210 -6.431 -1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.712 -5.382 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.430 -6.955 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.735 -5.187 2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.412 -5.934 3.153 1.00 0.00 H new ATOM 959 N LEU A 63 -0.943 -4.834 -3.453 1.00 0.00 N ATOM 960 CA LEU A 63 -1.143 -3.435 -3.834 1.00 0.00 C ATOM 961 C LEU A 63 -2.267 -3.317 -4.858 1.00 0.00 C ATOM 962 O LEU A 63 -3.091 -2.408 -4.777 1.00 0.00 O ATOM 963 CB LEU A 63 0.153 -2.840 -4.394 1.00 0.00 C ATOM 964 CG LEU A 63 -0.012 -1.343 -4.668 1.00 0.00 C ATOM 965 CD1 LEU A 63 -0.262 -0.567 -3.355 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.273 -0.835 -5.327 1.00 0.00 C ATOM 0 H LEU A 63 -0.035 -5.221 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.425 -2.873 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.967 -2.997 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.427 -3.355 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.870 -1.186 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.376 0.494 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.170 -0.938 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.584 -0.709 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.180 0.231 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.116 -1.003 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.439 -1.371 -6.261 1.00 0.00 H new ATOM 978 N ILE A 64 -2.311 -4.247 -5.809 1.00 0.00 N ATOM 979 CA ILE A 64 -3.360 -4.225 -6.817 1.00 0.00 C ATOM 980 C ILE A 64 -4.723 -4.338 -6.134 1.00 0.00 C ATOM 981 O ILE A 64 -5.664 -3.632 -6.490 1.00 0.00 O ATOM 982 CB ILE A 64 -3.153 -5.379 -7.813 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.983 -5.039 -8.744 1.00 0.00 C ATOM 984 CG2 ILE A 64 -4.419 -5.602 -8.649 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.556 -6.289 -9.522 1.00 0.00 C ATOM 0 H ILE A 64 -1.643 -5.012 -5.900 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.320 -3.285 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.936 -6.290 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.276 -4.251 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.144 -4.657 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.254 -6.422 -9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.251 -5.849 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.653 -4.694 -9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.724 -6.041 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.245 -7.065 -8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.395 -6.652 -10.116 1.00 0.00 H new ATOM 997 N ALA A 65 -4.817 -5.220 -5.145 1.00 0.00 N ATOM 998 CA ALA A 65 -6.067 -5.397 -4.415 1.00 0.00 C ATOM 999 C ALA A 65 -6.367 -4.165 -3.571 1.00 0.00 C ATOM 1000 O ALA A 65 -7.465 -3.615 -3.629 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.982 -6.629 -3.513 1.00 0.00 C ATOM 0 H ALA A 65 -4.052 -5.818 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.871 -5.537 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.921 -6.750 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.796 -7.514 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.168 -6.502 -2.800 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.374 -3.716 -2.809 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.548 -2.525 -1.986 1.00 0.00 C ATOM 1009 C LEU A 66 -5.931 -1.374 -2.898 1.00 0.00 C ATOM 1010 O LEU A 66 -6.814 -0.570 -2.590 1.00 0.00 O ATOM 1011 CB LEU A 66 -4.243 -2.219 -1.234 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.324 -0.862 -0.525 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.553 -0.808 0.385 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -3.059 -0.680 0.321 1.00 0.00 C ATOM 0 H LEU A 66 -4.454 -4.151 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.333 -2.679 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.047 -3.004 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.407 -2.219 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.405 -0.068 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.596 0.162 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.454 -0.951 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.486 -1.596 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.099 0.281 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.995 -1.481 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.182 -0.710 -0.325 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.277 -1.342 -4.048 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.549 -0.341 -5.059 1.00 0.00 C ATOM 1028 C ALA A 67 -6.965 -0.527 -5.584 1.00 0.00 C ATOM 1029 O ALA A 67 -7.645 0.440 -5.931 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.559 -0.499 -6.209 1.00 0.00 C ATOM 0 H ALA A 67 -4.547 -2.007 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.447 0.653 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.763 0.254 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.543 -0.371 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.663 -1.493 -6.644 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.399 -1.785 -5.651 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.737 -2.091 -6.144 1.00 0.00 C ATOM 1038 C ALA A 68 -9.793 -1.461 -5.243 1.00 0.00 C ATOM 1039 O ALA A 68 -10.741 -0.841 -5.725 1.00 0.00 O ATOM 1040 CB ALA A 68 -8.945 -3.606 -6.209 1.00 0.00 C ATOM 0 H ALA A 68 -6.850 -2.598 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.837 -1.676 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.948 -3.820 -6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.209 -4.046 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.827 -4.033 -5.213 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.621 -1.614 -3.933 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.569 -1.042 -2.987 1.00 0.00 C ATOM 1048 C TYR A 69 -10.603 0.482 -3.104 1.00 0.00 C ATOM 1049 O TYR A 69 -11.678 1.084 -3.136 1.00 0.00 O ATOM 1050 CB TYR A 69 -10.195 -1.443 -1.554 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.552 -2.896 -1.320 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.881 -3.255 -1.068 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.557 -3.880 -1.356 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -12.217 -4.597 -0.852 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.893 -5.223 -1.140 1.00 0.00 C ATOM 1056 CZ TYR A 69 -11.222 -5.581 -0.889 1.00 0.00 C ATOM 1057 OH TYR A 69 -11.553 -6.904 -0.677 1.00 0.00 O ATOM 0 H TYR A 69 -8.845 -2.122 -3.508 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.559 -1.431 -3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.128 -1.290 -1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.721 -0.810 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.649 -2.496 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.531 -3.604 -1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.243 -4.873 -0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.126 -5.982 -1.167 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.746 -7.457 -0.738 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.426 1.105 -3.160 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.358 2.564 -3.263 1.00 0.00 C ATOM 1069 C HIS A 70 -9.811 3.060 -4.638 1.00 0.00 C ATOM 1070 O HIS A 70 -10.620 3.982 -4.738 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.933 3.045 -2.993 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.888 4.545 -3.099 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.971 5.340 -2.758 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.902 5.408 -3.505 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.615 6.621 -2.965 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.363 6.719 -3.420 1.00 0.00 N ATOM 0 H HIS A 70 -8.522 0.634 -3.136 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.036 2.975 -2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.612 2.729 -2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.244 2.597 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.918 5.115 -3.840 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.262 7.467 -2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.854 7.571 -3.655 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.277 2.453 -5.692 1.00 0.00 N ATOM 1085 CA ALA A 71 -9.627 2.857 -7.054 1.00 0.00 C ATOM 1086 C ALA A 71 -11.116 2.656 -7.320 1.00 0.00 C ATOM 1087 O ALA A 71 -11.684 3.285 -8.213 1.00 0.00 O ATOM 1088 CB ALA A 71 -8.806 2.064 -8.073 1.00 0.00 C ATOM 0 H ALA A 71 -8.606 1.687 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.398 3.918 -7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.078 2.376 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.745 2.250 -7.909 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.010 1.000 -7.955 1.00 0.00 H new ATOM 1094 N LYS A 72 -11.746 1.785 -6.538 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.175 1.524 -6.693 1.00 0.00 C ATOM 1096 C LYS A 72 -13.987 2.615 -5.999 1.00 0.00 C ATOM 1097 O LYS A 72 -14.828 3.261 -6.625 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.529 0.148 -6.107 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.234 -0.951 -7.143 1.00 0.00 C ATOM 1100 CD LYS A 72 -13.345 -2.343 -6.502 1.00 0.00 C ATOM 1101 CE LYS A 72 -12.964 -3.404 -7.533 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.022 -4.752 -6.900 1.00 0.00 N ATOM 0 H LYS A 72 -11.295 1.251 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.419 1.526 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.952 -0.030 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.582 0.122 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.934 -0.871 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.234 -0.812 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.689 -2.410 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.361 -2.513 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.643 -3.360 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.961 -3.212 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.763 -5.476 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.357 -4.789 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.987 -4.933 -6.556 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.731 2.827 -4.710 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.453 3.849 -3.980 1.00 0.00 C ATOM 1118 C HIS A 73 -14.340 5.176 -4.707 1.00 0.00 C ATOM 1119 O HIS A 73 -15.320 5.912 -4.820 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.903 3.971 -2.554 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.647 5.044 -1.809 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -15.846 4.800 -1.157 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -14.371 6.373 -1.601 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -16.242 5.956 -0.592 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -15.379 6.946 -0.832 1.00 0.00 N ATOM 0 H HIS A 73 -13.041 2.312 -4.163 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.505 3.568 -3.920 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.003 3.019 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.839 4.208 -2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.503 6.894 -1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -17.148 6.069 -0.015 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.445 7.915 -0.519 1.00 0.00 H new ATOM 1133 N CYS A 74 -13.158 5.459 -5.240 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.973 6.680 -6.000 1.00 0.00 C ATOM 1135 C CYS A 74 -13.576 6.467 -7.379 1.00 0.00 C ATOM 1136 O CYS A 74 -12.997 5.781 -8.220 1.00 0.00 O ATOM 1137 CB CYS A 74 -11.484 7.010 -6.122 1.00 0.00 C ATOM 1138 SG CYS A 74 -11.287 8.630 -6.906 1.00 0.00 S ATOM 0 H CYS A 74 -12.329 4.869 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.462 7.514 -5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.019 7.012 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.978 6.245 -6.711 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.411 8.507 -8.194 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.756 7.035 -7.599 1.00 0.00 N ATOM 1145 CA GLN A 75 -15.438 6.871 -8.873 1.00 0.00 C ATOM 1146 C GLN A 75 -14.831 7.788 -9.914 1.00 0.00 C ATOM 1147 O GLN A 75 -15.271 7.839 -11.061 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.931 7.183 -8.721 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.599 6.132 -7.831 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.635 4.787 -8.549 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -18.053 4.711 -9.704 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.224 3.715 -7.930 1.00 0.00 N ATOM 0 H GLN A 75 -15.255 7.607 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.321 5.837 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -17.061 8.174 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -17.409 7.199 -9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -17.053 6.038 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -18.612 6.447 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.878 3.780 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.249 2.812 -8.403 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.813 8.513 -9.489 1.00 0.00 N ATOM 1162 CA GLU A 76 -13.108 9.452 -10.360 1.00 0.00 C ATOM 1163 C GLU A 76 -11.693 8.983 -10.600 1.00 0.00 C ATOM 1164 O GLU A 76 -11.041 8.453 -9.700 1.00 0.00 O ATOM 1165 CB GLU A 76 -13.093 10.847 -9.726 1.00 0.00 C ATOM 1166 CG GLU A 76 -12.368 11.828 -10.653 1.00 0.00 C ATOM 1167 CD GLU A 76 -12.481 13.245 -10.099 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -13.317 13.459 -9.237 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.733 14.099 -10.550 1.00 0.00 O ATOM 0 H GLU A 76 -13.449 8.473 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.630 9.500 -11.316 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.113 11.187 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.595 10.811 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.319 11.547 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.799 11.784 -11.653 1.00 0.00 H new ATOM 1176 N ASN A 77 -11.215 9.184 -11.820 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.872 8.781 -12.157 1.00 0.00 C ATOM 1178 C ASN A 77 -8.906 9.820 -11.627 1.00 0.00 C ATOM 1179 O ASN A 77 -8.586 10.784 -12.324 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.718 8.662 -13.675 1.00 0.00 C ATOM 1181 CG ASN A 77 -8.264 8.376 -14.034 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -7.748 7.300 -13.732 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -7.569 9.285 -14.660 1.00 0.00 N ATOM 0 H ASN A 77 -11.737 9.620 -12.581 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.661 7.809 -11.710 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.357 7.864 -14.052 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.044 9.585 -14.155 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.594 9.106 -14.901 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.000 10.175 -14.909 1.00 0.00 H new ATOM 1190 N LYS A 78 -8.459 9.632 -10.383 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.542 10.581 -9.758 1.00 0.00 C ATOM 1192 C LYS A 78 -6.556 11.125 -10.788 1.00 0.00 C ATOM 1193 O LYS A 78 -6.598 12.318 -11.078 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.804 9.910 -8.589 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.717 9.796 -7.358 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.797 11.153 -6.629 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.634 11.022 -5.354 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.825 12.374 -4.756 1.00 0.00 N ATOM 0 H LYS A 78 -8.715 8.839 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.115 11.421 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.465 8.918 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.915 10.487 -8.335 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.714 9.479 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.334 9.033 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.794 11.499 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.239 11.902 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.600 10.572 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.136 10.363 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.393 12.293 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.898 12.786 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.317 12.988 -5.436 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.731 10.226 -11.359 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.754 10.562 -12.419 1.00 0.00 C ATOM 1214 C CYS A 79 -3.320 10.121 -12.079 1.00 0.00 C ATOM 1215 O CYS A 79 -2.726 9.370 -12.850 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.774 12.047 -12.822 1.00 0.00 C ATOM 1217 SG CYS A 79 -3.495 12.348 -14.066 1.00 0.00 S ATOM 0 H CYS A 79 -5.722 9.240 -11.098 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.085 9.985 -13.282 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.753 12.315 -13.219 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.602 12.675 -11.948 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.511 13.602 -14.410 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.728 10.548 -10.982 1.00 0.00 N ATOM 1224 CA PRO A 80 -1.334 10.139 -10.644 1.00 0.00 C ATOM 1225 C PRO A 80 -1.235 8.647 -10.314 1.00 0.00 C ATOM 1226 O PRO A 80 -0.208 8.026 -10.571 1.00 0.00 O ATOM 1227 CB PRO A 80 -1.001 10.995 -9.418 1.00 0.00 C ATOM 1228 CG PRO A 80 -2.314 11.205 -8.776 1.00 0.00 C ATOM 1229 CD PRO A 80 -3.275 11.431 -9.937 1.00 0.00 C ATOM 0 HA PRO A 80 -0.646 10.288 -11.476 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.305 10.487 -8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.538 11.940 -9.702 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.607 10.340 -8.181 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.295 12.063 -8.104 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.298 11.163 -9.674 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.290 12.474 -10.254 1.00 0.00 H new ATOM 1237 N VAL A 81 -2.308 8.085 -9.739 1.00 0.00 N ATOM 1238 CA VAL A 81 -2.326 6.670 -9.370 1.00 0.00 C ATOM 1239 C VAL A 81 -2.284 5.789 -10.635 1.00 0.00 C ATOM 1240 O VAL A 81 -3.252 5.772 -11.396 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.594 6.357 -8.567 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.427 5.018 -7.839 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.846 7.467 -7.537 1.00 0.00 C ATOM 0 H VAL A 81 -3.168 8.589 -9.522 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.449 6.456 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.441 6.298 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.330 4.799 -7.269 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.257 4.226 -8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.575 5.076 -7.161 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.748 7.239 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.997 7.532 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.972 8.419 -8.052 1.00 0.00 H new ATOM 1253 N PRO A 82 -1.200 5.075 -10.899 1.00 0.00 N ATOM 1254 CA PRO A 82 -1.095 4.214 -12.127 1.00 0.00 C ATOM 1255 C PRO A 82 -2.229 3.200 -12.276 1.00 0.00 C ATOM 1256 O PRO A 82 -2.836 3.075 -13.340 1.00 0.00 O ATOM 1257 CB PRO A 82 0.241 3.473 -11.937 1.00 0.00 C ATOM 1258 CG PRO A 82 1.041 4.332 -11.024 1.00 0.00 C ATOM 1259 CD PRO A 82 0.038 4.991 -10.087 1.00 0.00 C ATOM 0 HA PRO A 82 -1.155 4.825 -13.027 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.084 2.483 -11.508 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.751 3.331 -12.890 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.766 3.740 -10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.603 5.080 -11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.115 4.400 -9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.376 5.977 -9.769 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.467 2.449 -11.214 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.483 1.398 -11.236 1.00 0.00 C ATOM 1269 C PHE A 83 -4.868 1.947 -11.571 1.00 0.00 C ATOM 1270 O PHE A 83 -5.582 1.375 -12.394 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.533 0.690 -9.876 1.00 0.00 C ATOM 1272 CG PHE A 83 -2.144 0.640 -9.283 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -1.080 0.123 -10.033 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.919 1.116 -7.986 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.210 0.086 -9.486 1.00 0.00 C ATOM 1276 CE2 PHE A 83 -0.631 1.076 -7.437 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.434 0.561 -8.189 1.00 0.00 C ATOM 0 H PHE A 83 -1.975 2.543 -10.326 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.203 0.691 -12.017 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.208 1.219 -9.203 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.926 -0.320 -9.994 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.254 -0.247 -11.033 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.740 1.515 -7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.031 -0.309 -10.066 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.459 1.442 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.428 0.531 -7.767 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.253 3.044 -10.931 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.568 3.618 -11.188 1.00 0.00 C ATOM 1289 C CYS A 84 -6.754 3.835 -12.685 1.00 0.00 C ATOM 1290 O CYS A 84 -7.793 3.502 -13.246 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.739 4.938 -10.422 1.00 0.00 C ATOM 1292 SG CYS A 84 -6.029 6.314 -11.367 1.00 0.00 S ATOM 0 H CYS A 84 -4.688 3.545 -10.245 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.332 2.924 -10.837 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.797 5.124 -10.236 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -6.252 4.867 -9.449 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.740 6.168 -11.444 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.732 4.374 -13.327 1.00 0.00 N ATOM 1299 CA LEU A 85 -5.785 4.609 -14.763 1.00 0.00 C ATOM 1300 C LEU A 85 -5.950 3.274 -15.494 1.00 0.00 C ATOM 1301 O LEU A 85 -6.660 3.173 -16.489 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.478 5.277 -15.227 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.459 6.770 -14.837 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.010 7.298 -14.852 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -5.301 7.596 -15.826 1.00 0.00 C ATOM 0 H LEU A 85 -4.859 4.656 -12.881 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.630 5.260 -14.988 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.625 4.768 -14.778 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.377 5.177 -16.308 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.879 6.868 -13.836 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.004 8.352 -14.576 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.409 6.733 -14.139 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.591 7.182 -15.852 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.277 8.646 -15.536 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.893 7.487 -16.831 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.331 7.240 -15.813 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.268 2.257 -14.992 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.310 0.937 -15.598 1.00 0.00 C ATOM 1319 C ASN A 86 -6.653 0.262 -15.383 1.00 0.00 C ATOM 1320 O ASN A 86 -7.054 -0.578 -16.181 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.206 0.061 -15.016 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.840 0.602 -15.431 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.736 1.340 -16.411 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.784 0.280 -14.738 1.00 0.00 N ATOM 0 H ASN A 86 -4.677 2.322 -14.163 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.160 1.063 -16.670 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.283 0.038 -13.929 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.322 -0.965 -15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.868 0.640 -15.007 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.873 -0.332 -13.927 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.330 0.605 -14.286 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.627 0.003 -13.974 1.00 0.00 C ATOM 1333 C ILE A 87 -9.790 0.887 -14.433 1.00 0.00 C ATOM 1334 O ILE A 87 -10.722 0.409 -15.080 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.718 -0.254 -12.468 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.666 -1.300 -12.082 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.113 -0.776 -12.113 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.536 -1.363 -10.561 1.00 0.00 C ATOM 0 H ILE A 87 -7.005 1.290 -13.604 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.704 -0.940 -14.515 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.539 0.674 -11.925 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.950 -2.277 -12.473 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.705 -1.045 -12.529 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.171 -0.957 -11.040 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.862 -0.037 -12.398 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.300 -1.707 -12.649 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.787 -2.108 -10.290 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.232 -0.388 -10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.496 -1.639 -10.125 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.747 2.171 -14.076 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.832 3.091 -14.448 1.00 0.00 C ATOM 1352 C LYS A 88 -10.786 3.521 -15.919 1.00 0.00 C ATOM 1353 O LYS A 88 -11.813 3.493 -16.599 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.831 4.331 -13.531 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.437 4.003 -12.147 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.958 3.789 -12.256 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.590 3.901 -10.867 1.00 0.00 C ATOM 1358 NZ LYS A 88 -15.038 3.559 -10.956 1.00 0.00 N ATOM 0 H LYS A 88 -8.990 2.595 -13.540 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.761 2.537 -14.313 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.811 4.694 -13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.401 5.134 -13.999 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.967 3.107 -11.742 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.228 4.815 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.393 4.530 -12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.168 2.809 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.088 3.229 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.466 4.912 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.471 3.634 -10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.511 4.217 -11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.144 2.587 -11.309 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.616 3.922 -16.419 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.517 4.354 -17.819 1.00 0.00 C ATOM 1374 C GLN A 89 -9.278 3.170 -18.740 1.00 0.00 C ATOM 1375 O GLN A 89 -9.401 3.300 -19.957 1.00 0.00 O ATOM 1376 CB GLN A 89 -8.385 5.364 -18.008 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.779 6.725 -17.430 1.00 0.00 C ATOM 1378 CD GLN A 89 -7.731 7.767 -17.814 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -6.845 7.488 -18.621 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -7.774 8.956 -17.275 1.00 0.00 N ATOM 0 H GLN A 89 -8.743 3.958 -15.893 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.466 4.826 -18.074 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.481 5.002 -17.518 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.154 5.466 -19.068 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.757 7.022 -17.807 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.862 6.661 -16.345 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.509 9.186 -16.606 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.073 9.654 -17.523 1.00 0.00 H new ATOM 1389 N LYS A 90 -8.924 2.033 -18.146 1.00 0.00 N ATOM 1390 CA LYS A 90 -8.647 0.799 -18.899 1.00 0.00 C ATOM 1391 C LYS A 90 -9.288 0.807 -20.292 1.00 0.00 C ATOM 1392 O LYS A 90 -8.553 0.752 -21.263 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.174 -0.405 -18.107 1.00 0.00 C ATOM 1394 CG LYS A 90 -8.373 -1.667 -18.468 1.00 0.00 C ATOM 1395 CD LYS A 90 -8.799 -2.830 -17.573 1.00 0.00 C ATOM 1396 CE LYS A 90 -7.954 -4.061 -17.911 1.00 0.00 C ATOM 1397 NZ LYS A 90 -8.349 -5.197 -17.030 1.00 0.00 N ATOM 1398 OXT LYS A 90 -10.505 0.867 -20.360 1.00 0.00 O ATOM 0 H LYS A 90 -8.820 1.935 -17.136 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.568 0.732 -19.035 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.096 -0.209 -17.038 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.230 -0.560 -18.326 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.536 -1.924 -19.515 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.306 -1.477 -18.349 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.671 -2.563 -16.524 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.857 -3.049 -17.719 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.093 -4.334 -18.957 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.896 -3.836 -17.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.774 -6.032 -17.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.195 -4.935 -16.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.355 -5.418 -17.178 1.00 0.00 H new TER 1412 LYS A 90 ATOM 1413 N MET B 1 -10.238 -19.158 14.417 1.00 0.00 N ATOM 1414 CA MET B 1 -11.395 -18.654 15.209 1.00 0.00 C ATOM 1415 C MET B 1 -12.462 -19.737 15.289 1.00 0.00 C ATOM 1416 O MET B 1 -13.074 -19.944 16.338 1.00 0.00 O ATOM 1417 CB MET B 1 -11.969 -17.407 14.534 1.00 0.00 C ATOM 1418 CG MET B 1 -10.945 -16.272 14.604 1.00 0.00 C ATOM 1419 SD MET B 1 -11.657 -14.769 13.886 1.00 0.00 S ATOM 1420 CE MET B 1 -11.683 -15.309 12.157 1.00 0.00 C ATOM 0 H1 MET B 1 -9.408 -18.558 14.595 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.025 -20.136 14.698 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.473 -19.132 13.404 1.00 0.00 H new ATOM 0 HA MET B 1 -11.067 -18.397 16.216 1.00 0.00 H new ATOM 0 HB2 MET B 1 -12.217 -17.624 13.495 1.00 0.00 H new ATOM 0 HB3 MET B 1 -12.894 -17.107 15.026 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.657 -16.092 15.640 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.040 -16.551 14.065 1.00 0.00 H new ATOM 0 HE1 MET B 1 -11.639 -14.438 11.503 1.00 0.00 H new ATOM 0 HE2 MET B 1 -10.824 -15.952 11.964 1.00 0.00 H new ATOM 0 HE3 MET B 1 -12.602 -15.863 11.962 1.00 0.00 H new ATOM 1432 N GLU B 2 -12.682 -20.428 14.176 1.00 0.00 N ATOM 1433 CA GLU B 2 -13.680 -21.489 14.136 1.00 0.00 C ATOM 1434 C GLU B 2 -13.282 -22.614 15.085 1.00 0.00 C ATOM 1435 O GLU B 2 -14.137 -23.227 15.725 1.00 0.00 O ATOM 1436 CB GLU B 2 -13.822 -22.025 12.710 1.00 0.00 C ATOM 1437 CG GLU B 2 -14.978 -23.025 12.651 1.00 0.00 C ATOM 1438 CD GLU B 2 -15.196 -23.485 11.214 1.00 0.00 C ATOM 1439 OE1 GLU B 2 -14.674 -22.839 10.320 1.00 0.00 O ATOM 1440 OE2 GLU B 2 -15.884 -24.475 11.026 1.00 0.00 O ATOM 0 H GLU B 2 -12.188 -20.274 13.297 1.00 0.00 H new ATOM 0 HA GLU B 2 -14.641 -21.084 14.454 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -14.003 -21.203 12.018 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -12.895 -22.506 12.397 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -14.760 -23.883 13.287 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -15.888 -22.565 13.036 1.00 0.00 H new ATOM 1447 N GLU B 3 -11.971 -22.853 15.193 1.00 0.00 N ATOM 1448 CA GLU B 3 -11.438 -23.881 16.093 1.00 0.00 C ATOM 1449 C GLU B 3 -9.963 -24.151 15.766 1.00 0.00 C ATOM 1450 O GLU B 3 -9.126 -24.204 16.668 1.00 0.00 O ATOM 1451 CB GLU B 3 -12.264 -25.204 16.020 1.00 0.00 C ATOM 1452 CG GLU B 3 -13.038 -25.426 17.329 1.00 0.00 C ATOM 1453 CD GLU B 3 -12.070 -25.781 18.452 1.00 0.00 C ATOM 1454 OE1 GLU B 3 -11.524 -26.872 18.416 1.00 0.00 O ATOM 1455 OE2 GLU B 3 -11.888 -24.956 19.333 1.00 0.00 O ATOM 0 H GLU B 3 -11.258 -22.347 14.667 1.00 0.00 H new ATOM 0 HA GLU B 3 -11.518 -23.505 17.113 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -12.960 -25.160 15.182 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -11.597 -26.047 15.837 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -13.595 -24.526 17.589 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -13.767 -26.226 17.199 1.00 0.00 H new ATOM 1462 N PRO B 4 -9.629 -24.323 14.509 1.00 0.00 N ATOM 1463 CA PRO B 4 -8.223 -24.593 14.085 1.00 0.00 C ATOM 1464 C PRO B 4 -7.275 -23.493 14.544 1.00 0.00 C ATOM 1465 O PRO B 4 -6.122 -23.768 14.852 1.00 0.00 O ATOM 1466 CB PRO B 4 -8.301 -24.655 12.547 1.00 0.00 C ATOM 1467 CG PRO B 4 -9.733 -24.955 12.247 1.00 0.00 C ATOM 1468 CD PRO B 4 -10.541 -24.282 13.355 1.00 0.00 C ATOM 0 HA PRO B 4 -7.830 -25.510 14.524 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.992 -23.711 12.097 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -7.644 -25.428 12.149 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -10.016 -24.570 11.268 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -9.912 -26.030 12.231 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -10.811 -23.259 13.092 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.470 -24.815 13.557 1.00 0.00 H new ATOM 1476 N GLN B 5 -7.795 -22.257 14.554 1.00 0.00 N ATOM 1477 CA GLN B 5 -7.052 -21.048 14.945 1.00 0.00 C ATOM 1478 C GLN B 5 -6.465 -20.370 13.716 1.00 0.00 C ATOM 1479 O GLN B 5 -5.501 -19.616 13.833 1.00 0.00 O ATOM 1480 CB GLN B 5 -5.911 -21.326 15.938 1.00 0.00 C ATOM 1481 CG GLN B 5 -6.479 -21.888 17.244 1.00 0.00 C ATOM 1482 CD GLN B 5 -5.340 -22.213 18.203 1.00 0.00 C ATOM 1483 OE1 GLN B 5 -4.175 -21.966 17.889 1.00 0.00 O ATOM 1484 NE2 GLN B 5 -5.605 -22.754 19.360 1.00 0.00 N ATOM 0 H GLN B 5 -8.760 -22.065 14.286 1.00 0.00 H new ATOM 0 HA GLN B 5 -7.776 -20.402 15.442 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -5.205 -22.034 15.504 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -5.359 -20.407 16.137 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -7.155 -21.164 17.699 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -7.063 -22.785 17.041 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -6.570 -22.958 19.619 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -4.847 -22.973 20.006 1.00 0.00 H new ATOM 1493 N SER B 6 -7.050 -20.663 12.544 1.00 0.00 N ATOM 1494 CA SER B 6 -6.595 -20.102 11.258 1.00 0.00 C ATOM 1495 C SER B 6 -5.695 -18.882 11.447 1.00 0.00 C ATOM 1496 O SER B 6 -6.065 -17.931 12.132 1.00 0.00 O ATOM 1497 CB SER B 6 -7.809 -19.703 10.420 1.00 0.00 C ATOM 1498 OG SER B 6 -8.446 -18.582 11.018 1.00 0.00 O ATOM 0 H SER B 6 -7.848 -21.292 12.459 1.00 0.00 H new ATOM 0 HA SER B 6 -6.013 -20.872 10.751 1.00 0.00 H new ATOM 0 HB2 SER B 6 -7.499 -19.460 9.404 1.00 0.00 H new ATOM 0 HB3 SER B 6 -8.507 -20.537 10.350 1.00 0.00 H new ATOM 0 HG SER B 6 -7.836 -18.163 11.660 1.00 0.00 H new ATOM 1504 N ASP B 7 -4.512 -18.922 10.838 1.00 0.00 N ATOM 1505 CA ASP B 7 -3.552 -17.820 10.941 1.00 0.00 C ATOM 1506 C ASP B 7 -3.643 -16.867 9.741 1.00 0.00 C ATOM 1507 O ASP B 7 -3.422 -15.665 9.891 1.00 0.00 O ATOM 1508 CB ASP B 7 -2.127 -18.383 11.047 1.00 0.00 C ATOM 1509 CG ASP B 7 -2.137 -19.693 11.827 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -2.453 -19.655 13.006 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -1.830 -20.713 11.236 1.00 0.00 O ATOM 0 H ASP B 7 -4.193 -19.705 10.267 1.00 0.00 H new ATOM 0 HA ASP B 7 -3.796 -17.250 11.837 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -1.718 -18.548 10.050 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -1.478 -17.661 11.543 1.00 0.00 H new ATOM 1516 N PRO B 8 -3.946 -17.364 8.565 1.00 0.00 N ATOM 1517 CA PRO B 8 -4.042 -16.514 7.339 1.00 0.00 C ATOM 1518 C PRO B 8 -4.974 -15.313 7.520 1.00 0.00 C ATOM 1519 O PRO B 8 -4.737 -14.248 6.950 1.00 0.00 O ATOM 1520 CB PRO B 8 -4.577 -17.480 6.270 1.00 0.00 C ATOM 1521 CG PRO B 8 -4.150 -18.832 6.734 1.00 0.00 C ATOM 1522 CD PRO B 8 -4.222 -18.780 8.259 1.00 0.00 C ATOM 0 HA PRO B 8 -3.081 -16.070 7.078 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.662 -17.415 6.185 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -4.166 -17.250 5.287 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -4.804 -19.608 6.336 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -3.140 -19.062 6.396 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -5.201 -19.087 8.626 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -3.488 -19.441 8.719 1.00 0.00 H new ATOM 1530 N SER B 9 -6.037 -15.486 8.311 1.00 0.00 N ATOM 1531 CA SER B 9 -6.994 -14.398 8.548 1.00 0.00 C ATOM 1532 C SER B 9 -6.784 -13.763 9.912 1.00 0.00 C ATOM 1533 O SER B 9 -7.182 -12.624 10.149 1.00 0.00 O ATOM 1534 CB SER B 9 -8.422 -14.930 8.444 1.00 0.00 C ATOM 1535 OG SER B 9 -8.629 -15.471 7.145 1.00 0.00 O ATOM 0 H SER B 9 -6.256 -16.357 8.794 1.00 0.00 H new ATOM 0 HA SER B 9 -6.829 -13.634 7.788 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.593 -15.696 9.201 1.00 0.00 H new ATOM 0 HB3 SER B 9 -9.136 -14.128 8.635 1.00 0.00 H new ATOM 0 HG SER B 9 -9.544 -15.815 7.076 1.00 0.00 H new ATOM 1541 N VAL B 10 -6.152 -14.507 10.797 1.00 0.00 N ATOM 1542 CA VAL B 10 -5.875 -14.022 12.154 1.00 0.00 C ATOM 1543 C VAL B 10 -4.436 -13.539 12.252 1.00 0.00 C ATOM 1544 O VAL B 10 -3.544 -14.296 12.630 1.00 0.00 O ATOM 1545 CB VAL B 10 -6.080 -15.150 13.158 1.00 0.00 C ATOM 1546 CG1 VAL B 10 -5.962 -14.598 14.581 1.00 0.00 C ATOM 1547 CG2 VAL B 10 -7.468 -15.769 12.968 1.00 0.00 C ATOM 0 H VAL B 10 -5.816 -15.452 10.611 1.00 0.00 H new ATOM 0 HA VAL B 10 -6.555 -13.199 12.374 1.00 0.00 H new ATOM 0 HB VAL B 10 -5.319 -15.913 12.997 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -6.109 -15.406 15.298 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.972 -14.163 14.722 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -6.721 -13.831 14.738 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -7.609 -16.575 13.688 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -8.231 -15.006 13.123 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -7.553 -16.167 11.957 1.00 0.00 H new ATOM 1557 N GLU B 11 -4.214 -12.281 11.885 1.00 0.00 N ATOM 1558 CA GLU B 11 -2.873 -11.702 11.904 1.00 0.00 C ATOM 1559 C GLU B 11 -2.747 -10.641 13.007 1.00 0.00 C ATOM 1560 O GLU B 11 -3.094 -9.480 12.789 1.00 0.00 O ATOM 1561 CB GLU B 11 -2.604 -11.066 10.542 1.00 0.00 C ATOM 1562 CG GLU B 11 -2.750 -12.140 9.458 1.00 0.00 C ATOM 1563 CD GLU B 11 -2.769 -11.490 8.078 1.00 0.00 C ATOM 1564 OE1 GLU B 11 -3.684 -10.728 7.816 1.00 0.00 O ATOM 1565 OE2 GLU B 11 -1.866 -11.764 7.304 1.00 0.00 O ATOM 0 H GLU B 11 -4.944 -11.642 11.571 1.00 0.00 H new ATOM 0 HA GLU B 11 -2.145 -12.487 12.110 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -3.304 -10.250 10.362 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.602 -10.638 10.517 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.925 -12.849 9.524 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.669 -12.705 9.616 1.00 0.00 H new ATOM 1572 N PRO B 12 -2.273 -11.007 14.182 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.123 -10.048 15.321 1.00 0.00 C ATOM 1574 C PRO B 12 -1.512 -8.708 14.882 1.00 0.00 C ATOM 1575 O PRO B 12 -0.309 -8.635 14.623 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.185 -10.792 16.274 1.00 0.00 C ATOM 1577 CG PRO B 12 -1.501 -12.233 16.053 1.00 0.00 C ATOM 1578 CD PRO B 12 -1.825 -12.362 14.563 1.00 0.00 C ATOM 0 HA PRO B 12 -3.081 -9.780 15.767 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.140 -10.576 16.053 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.358 -10.501 17.310 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -0.656 -12.865 16.326 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.346 -12.547 16.666 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -0.951 -12.671 13.989 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -2.602 -13.105 14.385 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.292 -7.650 14.793 1.00 0.00 N ATOM 1587 CA PRO B 13 -1.764 -6.316 14.376 1.00 0.00 C ATOM 1588 C PRO B 13 -0.554 -5.894 15.211 1.00 0.00 C ATOM 1589 O PRO B 13 -0.631 -5.811 16.436 1.00 0.00 O ATOM 1590 CB PRO B 13 -2.952 -5.361 14.600 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.171 -6.229 14.554 1.00 0.00 C ATOM 1592 CD PRO B 13 -3.741 -7.603 15.066 1.00 0.00 C ATOM 0 HA PRO B 13 -1.410 -6.319 13.345 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -2.870 -4.849 15.559 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -2.988 -4.591 13.829 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -4.966 -5.815 15.174 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.561 -6.297 13.538 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -3.950 -7.716 16.130 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.270 -8.404 14.550 1.00 0.00 H new ATOM 1600 N LEU B 14 0.560 -5.621 14.533 1.00 0.00 N ATOM 1601 CA LEU B 14 1.790 -5.199 15.206 1.00 0.00 C ATOM 1602 C LEU B 14 2.021 -3.705 14.994 1.00 0.00 C ATOM 1603 O LEU B 14 3.078 -3.177 15.341 1.00 0.00 O ATOM 1604 CB LEU B 14 2.982 -5.983 14.653 1.00 0.00 C ATOM 1605 CG LEU B 14 2.667 -7.483 14.655 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.868 -8.250 14.096 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.376 -7.957 16.086 1.00 0.00 C ATOM 0 H LEU B 14 0.637 -5.684 13.518 1.00 0.00 H new ATOM 0 HA LEU B 14 1.690 -5.397 16.273 1.00 0.00 H new ATOM 0 HB2 LEU B 14 3.208 -5.651 13.639 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.868 -5.788 15.257 1.00 0.00 H new ATOM 0 HG LEU B 14 1.790 -7.668 14.035 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.649 -9.318 14.095 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.068 -7.920 13.077 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.743 -8.059 14.718 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.153 -9.024 16.078 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.247 -7.773 16.714 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.520 -7.411 16.483 1.00 0.00 H new ATOM 1619 N SER B 15 1.028 -3.039 14.398 1.00 0.00 N ATOM 1620 CA SER B 15 1.111 -1.606 14.103 1.00 0.00 C ATOM 1621 C SER B 15 1.768 -1.390 12.744 1.00 0.00 C ATOM 1622 O SER B 15 1.420 -0.463 12.013 1.00 0.00 O ATOM 1623 CB SER B 15 1.899 -0.862 15.195 1.00 0.00 C ATOM 1624 OG SER B 15 1.438 0.483 15.266 1.00 0.00 O ATOM 0 H SER B 15 0.152 -3.473 14.109 1.00 0.00 H new ATOM 0 HA SER B 15 0.098 -1.203 14.080 1.00 0.00 H new ATOM 0 HB2 SER B 15 1.767 -1.356 16.157 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.965 -0.883 14.970 1.00 0.00 H new ATOM 0 HG SER B 15 1.935 0.963 15.961 1.00 0.00 H new ATOM 1630 N GLN B 16 2.708 -2.271 12.406 1.00 0.00 N ATOM 1631 CA GLN B 16 3.409 -2.204 11.126 1.00 0.00 C ATOM 1632 C GLN B 16 2.944 -3.362 10.261 1.00 0.00 C ATOM 1633 O GLN B 16 3.650 -3.806 9.353 1.00 0.00 O ATOM 1634 CB GLN B 16 4.921 -2.298 11.344 1.00 0.00 C ATOM 1635 CG GLN B 16 5.417 -1.032 12.047 1.00 0.00 C ATOM 1636 CD GLN B 16 6.919 -1.127 12.293 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.372 -1.982 13.054 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.723 -0.297 11.686 1.00 0.00 N ATOM 0 H GLN B 16 3.002 -3.043 13.004 1.00 0.00 H new ATOM 0 HA GLN B 16 3.189 -1.255 10.636 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.158 -3.176 11.944 1.00 0.00 H new ATOM 0 HB3 GLN B 16 5.430 -2.418 10.388 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.195 -0.156 11.437 1.00 0.00 H new ATOM 0 HG3 GLN B 16 4.892 -0.902 12.994 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.345 0.410 11.056 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.729 -0.356 11.842 1.00 0.00 H new ATOM 1647 N GLU B 17 1.754 -3.859 10.575 1.00 0.00 N ATOM 1648 CA GLU B 17 1.182 -4.986 9.857 1.00 0.00 C ATOM 1649 C GLU B 17 1.436 -4.878 8.358 1.00 0.00 C ATOM 1650 O GLU B 17 2.386 -5.463 7.839 1.00 0.00 O ATOM 1651 CB GLU B 17 -0.325 -5.064 10.122 1.00 0.00 C ATOM 1652 CG GLU B 17 -0.916 -6.280 9.403 1.00 0.00 C ATOM 1653 CD GLU B 17 -2.386 -6.443 9.774 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -2.936 -5.523 10.357 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -2.941 -7.488 9.473 1.00 0.00 O ATOM 0 H GLU B 17 1.166 -3.496 11.325 1.00 0.00 H new ATOM 0 HA GLU B 17 1.665 -5.894 10.218 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.512 -5.137 11.193 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.812 -4.153 9.775 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.816 -6.159 8.324 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.362 -7.178 9.675 1.00 0.00 H new ATOM 1662 N THR B 18 0.571 -4.150 7.657 1.00 0.00 N ATOM 1663 CA THR B 18 0.717 -4.016 6.214 1.00 0.00 C ATOM 1664 C THR B 18 2.132 -3.621 5.850 1.00 0.00 C ATOM 1665 O THR B 18 2.773 -4.312 5.058 1.00 0.00 O ATOM 1666 CB THR B 18 -0.261 -2.965 5.680 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.588 -3.336 6.024 1.00 0.00 O ATOM 1668 CG2 THR B 18 -0.136 -2.873 4.159 1.00 0.00 C ATOM 0 H THR B 18 -0.224 -3.653 8.057 1.00 0.00 H new ATOM 0 HA THR B 18 0.495 -4.982 5.760 1.00 0.00 H new ATOM 0 HB THR B 18 -0.027 -1.996 6.121 1.00 0.00 H new ATOM 0 HG1 THR B 18 -1.851 -2.880 6.851 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.833 -2.125 3.781 1.00 0.00 H new ATOM 0 HG22 THR B 18 0.882 -2.587 3.894 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.368 -3.841 3.716 1.00 0.00 H new ATOM 1676 N PHE B 19 2.621 -2.523 6.432 1.00 0.00 N ATOM 1677 CA PHE B 19 3.977 -2.062 6.147 1.00 0.00 C ATOM 1678 C PHE B 19 4.910 -3.251 5.988 1.00 0.00 C ATOM 1679 O PHE B 19 5.598 -3.389 4.962 1.00 0.00 O ATOM 1680 CB PHE B 19 4.466 -1.163 7.288 1.00 0.00 C ATOM 1681 CG PHE B 19 3.715 0.147 7.234 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.474 0.265 7.866 1.00 0.00 C ATOM 1683 CD2 PHE B 19 4.256 1.239 6.543 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.769 1.471 7.805 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.550 2.447 6.480 1.00 0.00 C ATOM 1686 CZ PHE B 19 2.308 2.564 7.116 1.00 0.00 C ATOM 0 H PHE B 19 2.104 -1.945 7.095 1.00 0.00 H new ATOM 0 HA PHE B 19 3.972 -1.493 5.218 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.304 -1.651 8.249 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.538 -0.987 7.197 1.00 0.00 H new ATOM 0 HD1 PHE B 19 2.059 -0.576 8.402 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.217 1.149 6.059 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.808 1.559 8.290 1.00 0.00 H new ATOM 0 HE2 PHE B 19 3.963 3.287 5.942 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.766 3.497 7.075 1.00 0.00 H new ATOM 1696 N SER B 20 4.921 -4.107 7.019 1.00 0.00 N ATOM 1697 CA SER B 20 5.761 -5.301 7.032 1.00 0.00 C ATOM 1698 C SER B 20 5.909 -5.863 5.630 1.00 0.00 C ATOM 1699 O SER B 20 7.006 -5.951 5.098 1.00 0.00 O ATOM 1700 CB SER B 20 5.129 -6.363 7.933 1.00 0.00 C ATOM 1701 OG SER B 20 6.095 -7.367 8.222 1.00 0.00 O ATOM 0 H SER B 20 4.352 -3.989 7.857 1.00 0.00 H new ATOM 0 HA SER B 20 6.746 -5.028 7.412 1.00 0.00 H new ATOM 0 HB2 SER B 20 4.773 -5.908 8.857 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.263 -6.806 7.441 1.00 0.00 H new ATOM 0 HG SER B 20 5.695 -8.049 8.801 1.00 0.00 H new ATOM 1707 N ASP B 21 4.786 -6.233 5.048 1.00 0.00 N ATOM 1708 CA ASP B 21 4.772 -6.799 3.711 1.00 0.00 C ATOM 1709 C ASP B 21 5.280 -5.817 2.651 1.00 0.00 C ATOM 1710 O ASP B 21 6.051 -6.189 1.769 1.00 0.00 O ATOM 1711 CB ASP B 21 3.339 -7.209 3.363 1.00 0.00 C ATOM 1712 CG ASP B 21 2.931 -8.434 4.176 1.00 0.00 C ATOM 1713 OD1 ASP B 21 3.783 -8.980 4.856 1.00 0.00 O ATOM 1714 OD2 ASP B 21 1.770 -8.805 4.107 1.00 0.00 O ATOM 0 H ASP B 21 3.866 -6.152 5.481 1.00 0.00 H new ATOM 0 HA ASP B 21 5.442 -7.659 3.709 1.00 0.00 H new ATOM 0 HB2 ASP B 21 2.657 -6.384 3.567 1.00 0.00 H new ATOM 0 HB3 ASP B 21 3.264 -7.428 2.298 1.00 0.00 H new ATOM 1719 N LEU B 22 4.807 -4.581 2.707 1.00 0.00 N ATOM 1720 CA LEU B 22 5.181 -3.595 1.704 1.00 0.00 C ATOM 1721 C LEU B 22 6.653 -3.660 1.323 1.00 0.00 C ATOM 1722 O LEU B 22 6.969 -3.992 0.195 1.00 0.00 O ATOM 1723 CB LEU B 22 4.864 -2.185 2.193 1.00 0.00 C ATOM 1724 CG LEU B 22 3.397 -2.081 2.621 1.00 0.00 C ATOM 1725 CD1 LEU B 22 3.067 -0.615 2.968 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.464 -2.563 1.496 1.00 0.00 C ATOM 0 H LEU B 22 4.171 -4.239 3.427 1.00 0.00 H new ATOM 0 HA LEU B 22 4.594 -3.833 0.817 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.512 -1.931 3.032 1.00 0.00 H new ATOM 0 HB3 LEU B 22 5.070 -1.465 1.401 1.00 0.00 H new ATOM 0 HG LEU B 22 3.244 -2.714 3.495 1.00 0.00 H new ATOM 0 HD11 LEU B 22 2.023 -0.539 3.273 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.708 -0.281 3.784 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.236 0.013 2.093 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.427 -2.480 1.822 1.00 0.00 H new ATOM 0 HD22 LEU B 22 2.615 -1.948 0.609 1.00 0.00 H new ATOM 0 HD23 LEU B 22 2.688 -3.603 1.259 1.00 0.00 H new ATOM 1738 N TRP B 23 7.560 -3.286 2.223 1.00 0.00 N ATOM 1739 CA TRP B 23 8.996 -3.266 1.852 1.00 0.00 C ATOM 1740 C TRP B 23 9.752 -4.580 2.137 1.00 0.00 C ATOM 1741 O TRP B 23 10.857 -4.759 1.624 1.00 0.00 O ATOM 1742 CB TRP B 23 9.704 -2.061 2.524 1.00 0.00 C ATOM 1743 CG TRP B 23 10.334 -2.453 3.821 1.00 0.00 C ATOM 1744 CD1 TRP B 23 11.655 -2.665 4.019 1.00 0.00 C ATOM 1745 CD2 TRP B 23 9.689 -2.678 5.095 1.00 0.00 C ATOM 1746 NE1 TRP B 23 11.856 -3.011 5.345 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.667 -3.034 6.047 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.356 -2.608 5.500 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 10.325 -3.313 7.370 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 8.003 -2.889 6.824 1.00 0.00 C ATOM 1751 CH2 TRP B 23 8.985 -3.243 7.760 1.00 0.00 C ATOM 0 H TRP B 23 7.352 -3.001 3.180 1.00 0.00 H new ATOM 0 HA TRP B 23 9.023 -3.156 0.768 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.466 -1.664 1.853 1.00 0.00 H new ATOM 0 HB3 TRP B 23 8.982 -1.262 2.695 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.426 -2.579 3.267 1.00 0.00 H new ATOM 0 HE1 TRP B 23 12.767 -3.222 5.752 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.592 -2.335 4.787 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 11.088 -3.580 8.086 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 6.968 -2.833 7.127 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.706 -3.461 8.780 1.00 0.00 H new ATOM 1762 N LYS B 24 9.207 -5.487 2.958 1.00 0.00 N ATOM 1763 CA LYS B 24 9.940 -6.735 3.264 1.00 0.00 C ATOM 1764 C LYS B 24 9.572 -7.906 2.342 1.00 0.00 C ATOM 1765 O LYS B 24 10.347 -8.857 2.236 1.00 0.00 O ATOM 1766 CB LYS B 24 9.718 -7.168 4.716 1.00 0.00 C ATOM 1767 CG LYS B 24 10.157 -6.040 5.666 1.00 0.00 C ATOM 1768 CD LYS B 24 10.317 -6.570 7.106 1.00 0.00 C ATOM 1769 CE LYS B 24 8.949 -6.690 7.803 1.00 0.00 C ATOM 1770 NZ LYS B 24 8.978 -7.860 8.727 1.00 0.00 N ATOM 0 H LYS B 24 8.297 -5.394 3.410 1.00 0.00 H new ATOM 0 HA LYS B 24 10.990 -6.494 3.096 1.00 0.00 H new ATOM 0 HB2 LYS B 24 8.666 -7.405 4.878 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.285 -8.075 4.926 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.100 -5.615 5.323 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.421 -5.236 5.649 1.00 0.00 H new ATOM 0 HD2 LYS B 24 10.807 -7.544 7.087 1.00 0.00 H new ATOM 0 HD3 LYS B 24 10.962 -5.900 7.675 1.00 0.00 H new ATOM 0 HE2 LYS B 24 8.727 -5.778 8.357 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.159 -6.814 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.005 -8.138 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 9.461 -8.656 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.488 -7.603 9.596 1.00 0.00 H new ATOM 1784 N LEU B 25 8.412 -7.861 1.677 1.00 0.00 N ATOM 1785 CA LEU B 25 8.017 -8.966 0.786 1.00 0.00 C ATOM 1786 C LEU B 25 8.328 -8.647 -0.676 1.00 0.00 C ATOM 1787 O LEU B 25 7.669 -9.160 -1.580 1.00 0.00 O ATOM 1788 CB LEU B 25 6.520 -9.294 0.945 1.00 0.00 C ATOM 1789 CG LEU B 25 6.272 -10.149 2.210 1.00 0.00 C ATOM 1790 CD1 LEU B 25 4.762 -10.392 2.371 1.00 0.00 C ATOM 1791 CD2 LEU B 25 7.004 -11.510 2.102 1.00 0.00 C ATOM 0 H LEU B 25 7.743 -7.093 1.733 1.00 0.00 H new ATOM 0 HA LEU B 25 8.602 -9.839 1.077 1.00 0.00 H new ATOM 0 HB2 LEU B 25 5.946 -8.369 1.008 1.00 0.00 H new ATOM 0 HB3 LEU B 25 6.166 -9.830 0.064 1.00 0.00 H new ATOM 0 HG LEU B 25 6.659 -9.613 3.077 1.00 0.00 H new ATOM 0 HD11 LEU B 25 4.583 -10.994 3.262 1.00 0.00 H new ATOM 0 HD12 LEU B 25 4.248 -9.436 2.471 1.00 0.00 H new ATOM 0 HD13 LEU B 25 4.383 -10.918 1.495 1.00 0.00 H new ATOM 0 HD21 LEU B 25 6.817 -12.096 3.002 1.00 0.00 H new ATOM 0 HD22 LEU B 25 6.636 -12.053 1.232 1.00 0.00 H new ATOM 0 HD23 LEU B 25 8.075 -11.340 1.996 1.00 0.00 H new ATOM 1803 N LEU B 26 9.342 -7.816 -0.915 1.00 0.00 N ATOM 1804 CA LEU B 26 9.717 -7.479 -2.276 1.00 0.00 C ATOM 1805 C LEU B 26 10.530 -8.615 -2.889 1.00 0.00 C ATOM 1806 O LEU B 26 11.110 -9.413 -2.158 1.00 0.00 O ATOM 1807 CB LEU B 26 10.458 -6.114 -2.296 1.00 0.00 C ATOM 1808 CG LEU B 26 12.014 -6.259 -2.122 1.00 0.00 C ATOM 1809 CD1 LEU B 26 12.744 -5.772 -3.385 1.00 0.00 C ATOM 1810 CD2 LEU B 26 12.498 -5.408 -0.938 1.00 0.00 C ATOM 0 H LEU B 26 9.908 -7.372 -0.191 1.00 0.00 H new ATOM 0 HA LEU B 26 8.827 -7.363 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU B 26 10.249 -5.607 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU B 26 10.066 -5.482 -1.499 1.00 0.00 H new ATOM 0 HG LEU B 26 12.233 -7.312 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU B 26 13.820 -5.879 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.426 -6.367 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU B 26 12.504 -4.724 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.577 -5.517 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU B 26 12.256 -4.361 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU B 26 12.005 -5.741 -0.025 1.00 0.00 H new ATOM 1822 N PRO B 27 10.584 -8.729 -4.197 1.00 0.00 N ATOM 1823 CA PRO B 27 11.348 -9.834 -4.835 1.00 0.00 C ATOM 1824 C PRO B 27 12.766 -9.906 -4.283 1.00 0.00 C ATOM 1825 O PRO B 27 13.221 -10.972 -3.888 1.00 0.00 O ATOM 1826 CB PRO B 27 11.345 -9.484 -6.337 1.00 0.00 C ATOM 1827 CG PRO B 27 10.180 -8.562 -6.534 1.00 0.00 C ATOM 1828 CD PRO B 27 9.954 -7.844 -5.198 1.00 0.00 C ATOM 0 HA PRO B 27 10.908 -10.812 -4.641 1.00 0.00 H new ATOM 0 HB2 PRO B 27 12.279 -9.004 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.243 -10.381 -6.948 1.00 0.00 H new ATOM 0 HG2 PRO B 27 10.384 -7.845 -7.329 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.291 -9.120 -6.829 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.410 -6.854 -5.196 1.00 0.00 H new ATOM 0 HD3 PRO B 27 8.892 -7.706 -4.995 1.00 0.00 H new ATOM 1836 N GLU B 28 13.426 -8.744 -4.258 1.00 0.00 N ATOM 1837 CA GLU B 28 14.804 -8.584 -3.754 1.00 0.00 C ATOM 1838 C GLU B 28 15.489 -7.413 -4.451 1.00 0.00 C ATOM 1839 O GLU B 28 16.330 -6.737 -3.859 1.00 0.00 O ATOM 1840 CB GLU B 28 15.667 -9.844 -3.957 1.00 0.00 C ATOM 1841 CG GLU B 28 15.722 -10.215 -5.444 1.00 0.00 C ATOM 1842 CD GLU B 28 16.454 -11.538 -5.622 1.00 0.00 C ATOM 1843 OE1 GLU B 28 17.402 -11.771 -4.892 1.00 0.00 O ATOM 1844 OE2 GLU B 28 16.049 -12.304 -6.482 1.00 0.00 O ATOM 0 H GLU B 28 13.016 -7.871 -4.591 1.00 0.00 H new ATOM 0 HA GLU B 28 14.717 -8.402 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU B 28 16.675 -9.668 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU B 28 15.253 -10.673 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.712 -10.292 -5.846 1.00 0.00 H new ATOM 0 HG3 GLU B 28 16.230 -9.430 -6.005 1.00 0.00 H new ATOM 1851 N ASN B 29 15.130 -7.177 -5.712 1.00 0.00 N ATOM 1852 CA ASN B 29 15.722 -6.085 -6.475 1.00 0.00 C ATOM 1853 C ASN B 29 14.869 -4.829 -6.367 1.00 0.00 C ATOM 1854 O ASN B 29 13.833 -4.710 -7.021 1.00 0.00 O ATOM 1855 CB ASN B 29 15.846 -6.488 -7.945 1.00 0.00 C ATOM 1856 CG ASN B 29 16.557 -5.387 -8.726 1.00 0.00 C ATOM 1857 OD1 ASN B 29 17.102 -4.457 -8.135 1.00 0.00 O ATOM 1858 ND2 ASN B 29 16.579 -5.438 -10.031 1.00 0.00 N ATOM 0 H ASN B 29 14.437 -7.724 -6.222 1.00 0.00 H new ATOM 0 HA ASN B 29 16.710 -5.876 -6.066 1.00 0.00 H new ATOM 0 HB2 ASN B 29 16.401 -7.422 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN B 29 14.857 -6.665 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN B 29 17.049 -4.705 -10.562 1.00 0.00 H new ATOM 0 HD22 ASN B 29 16.126 -6.211 -10.519 1.00 0.00 H new ATOM 1865 N ASN B 30 15.330 -3.879 -5.560 1.00 0.00 N ATOM 1866 CA ASN B 30 14.621 -2.608 -5.401 1.00 0.00 C ATOM 1867 C ASN B 30 15.115 -1.632 -6.466 1.00 0.00 C ATOM 1868 O ASN B 30 16.285 -1.251 -6.480 1.00 0.00 O ATOM 1869 CB ASN B 30 14.875 -2.019 -4.012 1.00 0.00 C ATOM 1870 CG ASN B 30 14.392 -2.983 -2.936 1.00 0.00 C ATOM 1871 OD1 ASN B 30 13.258 -2.877 -2.468 1.00 0.00 O ATOM 1872 ND2 ASN B 30 15.190 -3.925 -2.516 1.00 0.00 N ATOM 0 H ASN B 30 16.184 -3.961 -5.009 1.00 0.00 H new ATOM 0 HA ASN B 30 13.550 -2.780 -5.513 1.00 0.00 H new ATOM 0 HB2 ASN B 30 15.939 -1.821 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN B 30 14.358 -1.064 -3.914 1.00 0.00 H new ATOM 0 HD21 ASN B 30 14.875 -4.577 -1.797 1.00 0.00 H new ATOM 0 HD22 ASN B 30 16.129 -4.010 -2.906 1.00 0.00 H new ATOM 1879 N VAL B 31 14.220 -1.254 -7.374 1.00 0.00 N ATOM 1880 CA VAL B 31 14.578 -0.342 -8.478 1.00 0.00 C ATOM 1881 C VAL B 31 13.980 1.050 -8.257 1.00 0.00 C ATOM 1882 O VAL B 31 12.792 1.197 -8.003 1.00 0.00 O ATOM 1883 CB VAL B 31 14.082 -0.922 -9.820 1.00 0.00 C ATOM 1884 CG1 VAL B 31 14.313 0.082 -10.948 1.00 0.00 C ATOM 1885 CG2 VAL B 31 14.857 -2.208 -10.114 1.00 0.00 C ATOM 0 H VAL B 31 13.246 -1.557 -7.376 1.00 0.00 H new ATOM 0 HA VAL B 31 15.663 -0.246 -8.504 1.00 0.00 H new ATOM 0 HB VAL B 31 13.014 -1.132 -9.753 1.00 0.00 H new ATOM 0 HG11 VAL B 31 13.959 -0.340 -11.889 1.00 0.00 H new ATOM 0 HG12 VAL B 31 13.768 1.001 -10.734 1.00 0.00 H new ATOM 0 HG13 VAL B 31 15.378 0.302 -11.027 1.00 0.00 H new ATOM 0 HG21 VAL B 31 14.517 -2.630 -11.060 1.00 0.00 H new ATOM 0 HG22 VAL B 31 15.922 -1.984 -10.178 1.00 0.00 H new ATOM 0 HG23 VAL B 31 14.685 -2.928 -9.314 1.00 0.00 H new ATOM 1895 N LEU B 32 14.814 2.080 -8.345 1.00 0.00 N ATOM 1896 CA LEU B 32 14.357 3.454 -8.146 1.00 0.00 C ATOM 1897 C LEU B 32 14.148 4.135 -9.489 1.00 0.00 C ATOM 1898 O LEU B 32 13.305 5.023 -9.609 1.00 0.00 O ATOM 1899 CB LEU B 32 15.400 4.233 -7.337 1.00 0.00 C ATOM 1900 CG LEU B 32 15.502 3.667 -5.909 1.00 0.00 C ATOM 1901 CD1 LEU B 32 16.785 4.188 -5.254 1.00 0.00 C ATOM 1902 CD2 LEU B 32 14.293 4.106 -5.059 1.00 0.00 C ATOM 0 H LEU B 32 15.809 1.992 -8.552 1.00 0.00 H new ATOM 0 HA LEU B 32 13.412 3.436 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU B 32 16.371 4.173 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU B 32 15.127 5.287 -7.299 1.00 0.00 H new ATOM 0 HG LEU B 32 15.516 2.579 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU B 32 16.864 3.791 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU B 32 17.648 3.867 -5.838 1.00 0.00 H new ATOM 0 HD13 LEU B 32 16.758 5.277 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU B 32 14.386 3.695 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU B 32 14.263 5.194 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU B 32 13.374 3.740 -5.517 1.00 0.00 H new ATOM 1914 N SER B 33 14.930 3.697 -10.488 1.00 0.00 N ATOM 1915 CA SER B 33 14.864 4.243 -11.851 1.00 0.00 C ATOM 1916 C SER B 33 13.511 4.899 -12.138 1.00 0.00 C ATOM 1917 O SER B 33 12.602 4.250 -12.657 1.00 0.00 O ATOM 1918 CB SER B 33 15.094 3.120 -12.861 1.00 0.00 C ATOM 1919 OG SER B 33 14.995 3.647 -14.178 1.00 0.00 O ATOM 0 H SER B 33 15.623 2.957 -10.374 1.00 0.00 H new ATOM 0 HA SER B 33 15.638 5.005 -11.940 1.00 0.00 H new ATOM 0 HB2 SER B 33 16.076 2.673 -12.708 1.00 0.00 H new ATOM 0 HB3 SER B 33 14.358 2.329 -12.717 1.00 0.00 H new ATOM 0 HG SER B 33 15.143 2.930 -14.829 1.00 0.00 H new ATOM 1925 N PRO B 34 13.356 6.160 -11.812 1.00 0.00 N ATOM 1926 CA PRO B 34 12.074 6.886 -12.046 1.00 0.00 C ATOM 1927 C PRO B 34 11.708 6.909 -13.526 1.00 0.00 C ATOM 1928 O PRO B 34 12.587 6.907 -14.386 1.00 0.00 O ATOM 1929 CB PRO B 34 12.340 8.310 -11.509 1.00 0.00 C ATOM 1930 CG PRO B 34 13.536 8.180 -10.617 1.00 0.00 C ATOM 1931 CD PRO B 34 14.366 7.035 -11.188 1.00 0.00 C ATOM 0 HA PRO B 34 11.231 6.406 -11.549 1.00 0.00 H new ATOM 0 HB2 PRO B 34 12.531 9.008 -12.324 1.00 0.00 H new ATOM 0 HB3 PRO B 34 11.479 8.690 -10.959 1.00 0.00 H new ATOM 0 HG2 PRO B 34 14.110 9.106 -10.598 1.00 0.00 H new ATOM 0 HG3 PRO B 34 13.236 7.970 -9.590 1.00 0.00 H new ATOM 0 HD2 PRO B 34 15.095 7.391 -11.916 1.00 0.00 H new ATOM 0 HD3 PRO B 34 14.923 6.514 -10.409 1.00 0.00 H new ATOM 1939 N LEU B 35 10.407 6.912 -13.809 1.00 0.00 N ATOM 1940 CA LEU B 35 9.914 6.928 -15.188 1.00 0.00 C ATOM 1941 C LEU B 35 9.247 8.271 -15.495 1.00 0.00 C ATOM 1942 O LEU B 35 8.043 8.423 -15.289 1.00 0.00 O ATOM 1943 CB LEU B 35 8.882 5.813 -15.381 1.00 0.00 C ATOM 1944 CG LEU B 35 9.438 4.484 -14.857 1.00 0.00 C ATOM 1945 CD1 LEU B 35 8.406 3.378 -15.096 1.00 0.00 C ATOM 1946 CD2 LEU B 35 10.742 4.136 -15.592 1.00 0.00 C ATOM 0 H LEU B 35 9.672 6.904 -13.101 1.00 0.00 H new ATOM 0 HA LEU B 35 10.759 6.777 -15.860 1.00 0.00 H new ATOM 0 HB2 LEU B 35 7.961 6.064 -14.854 1.00 0.00 H new ATOM 0 HB3 LEU B 35 8.630 5.719 -16.437 1.00 0.00 H new ATOM 0 HG LEU B 35 9.643 4.573 -13.790 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.796 2.430 -14.725 1.00 0.00 H new ATOM 0 HD12 LEU B 35 7.483 3.621 -14.569 1.00 0.00 H new ATOM 0 HD13 LEU B 35 8.203 3.294 -16.164 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.131 3.190 -15.214 1.00 0.00 H new ATOM 0 HD22 LEU B 35 10.545 4.047 -16.660 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.476 4.924 -15.423 1.00 0.00 H new ATOM 1958 N PRO B 36 9.983 9.244 -15.981 1.00 0.00 N ATOM 1959 CA PRO B 36 9.401 10.577 -16.304 1.00 0.00 C ATOM 1960 C PRO B 36 8.167 10.441 -17.189 1.00 0.00 C ATOM 1961 O PRO B 36 8.161 9.649 -18.130 1.00 0.00 O ATOM 1962 CB PRO B 36 10.541 11.306 -17.040 1.00 0.00 C ATOM 1963 CG PRO B 36 11.796 10.645 -16.565 1.00 0.00 C ATOM 1964 CD PRO B 36 11.427 9.192 -16.263 1.00 0.00 C ATOM 0 HA PRO B 36 9.063 11.115 -15.418 1.00 0.00 H new ATOM 0 HB2 PRO B 36 10.433 11.217 -18.121 1.00 0.00 H new ATOM 0 HB3 PRO B 36 10.544 12.371 -16.807 1.00 0.00 H new ATOM 0 HG2 PRO B 36 12.575 10.698 -17.325 1.00 0.00 H new ATOM 0 HG3 PRO B 36 12.184 11.141 -15.675 1.00 0.00 H new ATOM 0 HD2 PRO B 36 11.646 8.540 -17.109 1.00 0.00 H new ATOM 0 HD3 PRO B 36 11.987 8.807 -15.411 1.00 0.00 H new ATOM 1972 N SER B 37 7.118 11.198 -16.843 1.00 0.00 N ATOM 1973 CA SER B 37 5.841 11.165 -17.566 1.00 0.00 C ATOM 1974 C SER B 37 6.014 10.740 -19.008 1.00 0.00 C ATOM 1975 O SER B 37 5.200 10.008 -19.570 1.00 0.00 O ATOM 1976 CB SER B 37 5.202 12.551 -17.526 1.00 0.00 C ATOM 1977 OG SER B 37 4.926 12.903 -16.176 1.00 0.00 O ATOM 0 H SER B 37 7.130 11.848 -16.057 1.00 0.00 H new ATOM 0 HA SER B 37 5.202 10.431 -17.075 1.00 0.00 H new ATOM 0 HB2 SER B 37 5.870 13.285 -17.976 1.00 0.00 H new ATOM 0 HB3 SER B 37 4.282 12.557 -18.111 1.00 0.00 H new ATOM 0 HG SER B 37 4.517 13.793 -16.147 1.00 0.00 H new ATOM 1983 N GLN B 38 7.098 11.204 -19.579 1.00 0.00 N ATOM 1984 CA GLN B 38 7.448 10.896 -20.961 1.00 0.00 C ATOM 1985 C GLN B 38 8.511 9.806 -20.991 1.00 0.00 C ATOM 1986 O GLN B 38 9.520 9.892 -20.293 1.00 0.00 O ATOM 1987 CB GLN B 38 7.978 12.156 -21.657 1.00 0.00 C ATOM 1988 CG GLN B 38 8.264 11.865 -23.137 1.00 0.00 C ATOM 1989 CD GLN B 38 6.968 11.518 -23.864 1.00 0.00 C ATOM 1990 OE1 GLN B 38 5.923 12.106 -23.587 1.00 0.00 O ATOM 1991 NE2 GLN B 38 6.977 10.596 -24.787 1.00 0.00 N ATOM 0 H GLN B 38 7.770 11.808 -19.105 1.00 0.00 H new ATOM 0 HA GLN B 38 6.559 10.546 -21.485 1.00 0.00 H new ATOM 0 HB2 GLN B 38 7.248 12.961 -21.572 1.00 0.00 H new ATOM 0 HB3 GLN B 38 8.888 12.497 -21.164 1.00 0.00 H new ATOM 0 HG2 GLN B 38 8.730 12.733 -23.603 1.00 0.00 H new ATOM 0 HG3 GLN B 38 8.971 11.040 -23.223 1.00 0.00 H new ATOM 0 HE21 GLN B 38 7.845 10.110 -25.014 1.00 0.00 H new ATOM 0 HE22 GLN B 38 6.116 10.361 -25.281 1.00 0.00 H new ATOM 2000 N ALA B 39 8.280 8.777 -21.803 1.00 0.00 N ATOM 2001 CA ALA B 39 9.227 7.669 -21.916 1.00 0.00 C ATOM 2002 C ALA B 39 10.058 7.807 -23.188 1.00 0.00 C ATOM 2003 O ALA B 39 11.236 7.494 -23.140 1.00 0.00 O ATOM 2004 CB ALA B 39 8.471 6.339 -21.942 1.00 0.00 C ATOM 2005 OXT ALA B 39 9.504 8.222 -24.192 1.00 0.00 O ATOM 0 H ALA B 39 7.450 8.687 -22.390 1.00 0.00 H new ATOM 0 HA ALA B 39 9.893 7.692 -21.053 1.00 0.00 H new ATOM 0 HB1 ALA B 39 9.183 5.518 -22.026 1.00 0.00 H new ATOM 0 HB2 ALA B 39 7.897 6.229 -21.022 1.00 0.00 H new ATOM 0 HB3 ALA B 39 7.794 6.322 -22.796 1.00 0.00 H new TER 2011 ALA B 39