USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 SER OG : rot 180:sc= 0.0258 USER MOD Set 1.2: A 120 CYS SG : rot -170:sc= -0.304 USER MOD Set 2.1: A 72 CYS SG : rot 99:sc= 1.14 USER MOD Set 2.2: A 90 CYS SG : rot 36:sc= -0.0273 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0.366 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -151:sc= 0.389 (180deg=0) USER MOD Set 4.1: A 62 CYS SG : rot 180:sc= 1.03 USER MOD Set 4.2: A 76 CYS SG : rot -55:sc= 0.768 USER MOD Set 5.1: A 46 ASN : amide:sc= 0.24 K(o=2.1,f=-6.1!) USER MOD Set 5.2: A 48 SER OG : rot -93:sc= 0.25 USER MOD Set 5.3: A 57 ASN : amide:sc= 1.64 K(o=2.1,f=-4!) USER MOD Set 6.1: A 42 ASN : amide:sc= 0.956 K(o=3.2,f=1.4) USER MOD Set 6.2: A 55 GLN : amide:sc= 2.27 K(o=3.2,f=-0.43) USER MOD Set 7.1: A 28 CYS SG : rot -41:sc= 0.769 USER MOD Set 7.2: A 32 HIS : no HD1:sc=-0.00957 K(o=1.6,f=0.75) USER MOD Set 7.3: A 109 HIS : no HD1:sc= 1.05 K(o=1.6,f=-3.3!) USER MOD Set 7.4: A 110 CYS SG : rot -54:sc= -0.165 USER MOD Set 8.1: A 16 HIS : no HD1:sc= -0.222 X(o=-0.65,f=-1.1) USER MOD Set 8.2: A 85 THR OG1 : rot 176:sc= -0.429 USER MOD Set 9.1: A 7 CYS SG : rot 180:sc= 0 USER MOD Set 9.2: A 11 HIS : no HD1:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0.766 (180deg=0.747) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -39:sc= 0.247 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.17) USER MOD Single : A 21 ASN : amide:sc= 0.0154 K(o=0.015,f=-2.2!) USER MOD Single : A 23 MET CE :methyl 148:sc= -0.137 (180deg=-3.73!) USER MOD Single : A 25 ASN : amide:sc= 0.191 K(o=0.19,f=-1) USER MOD Single : A 34 SER OG : rot -122:sc= 1.14 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 169:sc= 1.36 USER MOD Single : A 39 SER OG : rot 180:sc= -0.555 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 44 ASN : amide:sc= 0.896 K(o=0.9,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= 1.28 (180deg=0.722) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0301 K(o=-0.03,f=-0.83) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0.948 (180deg=0.849) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0788 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 1.2 (180deg=1.03) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0.865 (180deg=0.83) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.16) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 1.54 K(o=1.5,f=0) USER MOD Single : A 113 SER OG : rot 39:sc= 0.737 USER MOD Single : A 118 SER OG : rot 77:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.446 -7.884 10.168 1.00 0.00 N ATOM 2 CA GLY A 1 -7.950 -7.731 8.790 1.00 0.00 C ATOM 3 C GLY A 1 -8.675 -8.652 7.823 1.00 0.00 C ATOM 4 O GLY A 1 -9.353 -9.599 8.231 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.871 -7.303 10.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.438 -7.575 10.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.380 -8.882 10.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.077 -6.697 8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.881 -7.944 8.763 1.00 0.00 H new ATOM 10 N LYS A 2 -8.531 -8.378 6.526 1.00 0.00 N ATOM 11 CA LYS A 2 -9.288 -9.002 5.431 1.00 0.00 C ATOM 12 C LYS A 2 -8.525 -8.976 4.093 1.00 0.00 C ATOM 13 O LYS A 2 -7.617 -8.159 3.894 1.00 0.00 O ATOM 14 CB LYS A 2 -10.664 -8.308 5.310 1.00 0.00 C ATOM 15 CG LYS A 2 -10.558 -6.837 4.861 1.00 0.00 C ATOM 16 CD LYS A 2 -11.918 -6.137 4.741 1.00 0.00 C ATOM 17 CE LYS A 2 -12.734 -6.669 3.553 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.027 -5.949 3.413 1.00 0.00 N ATOM 0 H LYS A 2 -7.858 -7.688 6.192 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.430 -10.056 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.280 -8.856 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.173 -8.353 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.938 -6.291 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.050 -6.795 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.483 -6.280 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.765 -5.064 4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.155 -6.561 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.922 -7.734 3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.552 -6.333 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.589 -6.073 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.846 -4.936 3.260 1.00 0.00 H new ATOM 32 N THR A 3 -8.949 -9.829 3.152 1.00 0.00 N ATOM 33 CA THR A 3 -8.376 -9.951 1.802 1.00 0.00 C ATOM 34 C THR A 3 -9.382 -9.473 0.760 1.00 0.00 C ATOM 35 O THR A 3 -10.550 -9.863 0.796 1.00 0.00 O ATOM 36 CB THR A 3 -7.933 -11.391 1.509 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.296 -11.960 2.635 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.960 -11.439 0.330 1.00 0.00 C ATOM 0 H THR A 3 -9.723 -10.473 3.312 1.00 0.00 H new ATOM 0 HA THR A 3 -7.489 -9.319 1.752 1.00 0.00 H new ATOM 0 HB THR A 3 -8.831 -11.958 1.265 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.734 -11.284 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.663 -12.471 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.445 -11.036 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.077 -10.844 0.562 1.00 0.00 H new ATOM 46 N PHE A 4 -8.921 -8.633 -0.167 1.00 0.00 N ATOM 47 CA PHE A 4 -9.699 -8.065 -1.270 1.00 0.00 C ATOM 48 C PHE A 4 -9.443 -8.832 -2.577 1.00 0.00 C ATOM 49 O PHE A 4 -8.387 -9.441 -2.769 1.00 0.00 O ATOM 50 CB PHE A 4 -9.338 -6.570 -1.434 1.00 0.00 C ATOM 51 CG PHE A 4 -9.787 -5.673 -0.289 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.071 -5.654 0.925 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.924 -4.851 -0.432 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.510 -4.852 1.993 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.366 -4.057 0.640 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.663 -4.062 1.855 1.00 0.00 C ATOM 0 H PHE A 4 -7.952 -8.315 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.760 -8.156 -1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.257 -6.482 -1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.782 -6.203 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.182 -6.258 1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.458 -4.832 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.959 -4.843 2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.247 -3.443 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.008 -3.459 2.682 1.00 0.00 H new ATOM 66 N THR A 5 -10.407 -8.758 -3.501 1.00 0.00 N ATOM 67 CA THR A 5 -10.269 -9.197 -4.904 1.00 0.00 C ATOM 68 C THR A 5 -9.887 -7.989 -5.757 1.00 0.00 C ATOM 69 O THR A 5 -10.066 -6.860 -5.304 1.00 0.00 O ATOM 70 CB THR A 5 -11.537 -9.915 -5.385 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.242 -10.493 -6.635 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.757 -9.005 -5.548 1.00 0.00 C ATOM 0 H THR A 5 -11.332 -8.382 -3.293 1.00 0.00 H new ATOM 0 HA THR A 5 -9.472 -9.935 -4.997 1.00 0.00 H new ATOM 0 HB THR A 5 -11.805 -10.646 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.033 -10.963 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.607 -9.594 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.998 -8.544 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.536 -8.228 -6.279 1.00 0.00 H new ATOM 80 N ARG A 6 -9.361 -8.184 -6.971 1.00 0.00 N ATOM 81 CA ARG A 6 -8.869 -7.075 -7.807 1.00 0.00 C ATOM 82 C ARG A 6 -9.953 -6.017 -8.054 1.00 0.00 C ATOM 83 O ARG A 6 -9.719 -4.836 -7.807 1.00 0.00 O ATOM 84 CB ARG A 6 -8.276 -7.609 -9.120 1.00 0.00 C ATOM 85 CG ARG A 6 -7.547 -6.496 -9.898 1.00 0.00 C ATOM 86 CD ARG A 6 -6.842 -7.026 -11.150 1.00 0.00 C ATOM 87 NE ARG A 6 -5.725 -7.922 -10.801 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.324 -9.009 -11.446 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.944 -9.473 -12.512 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.261 -9.643 -11.012 1.00 0.00 N ATOM 0 H ARG A 6 -9.263 -9.104 -7.402 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.070 -6.574 -7.260 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.581 -8.420 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.071 -8.027 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.265 -5.728 -10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.815 -6.020 -9.246 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.558 -7.561 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.468 -6.189 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.197 -7.677 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.768 -8.992 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.600 -10.313 -12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.760 -9.298 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.935 -10.481 -11.493 1.00 0.00 H new ATOM 104 N CYS A 7 -11.165 -6.423 -8.445 1.00 0.00 N ATOM 105 CA CYS A 7 -12.296 -5.498 -8.646 1.00 0.00 C ATOM 106 C CYS A 7 -12.685 -4.745 -7.362 1.00 0.00 C ATOM 107 O CYS A 7 -12.910 -3.536 -7.401 1.00 0.00 O ATOM 108 CB CYS A 7 -13.483 -6.277 -9.229 1.00 0.00 C ATOM 109 SG CYS A 7 -14.905 -5.251 -9.690 1.00 0.00 S ATOM 0 H CYS A 7 -11.394 -7.399 -8.632 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.986 -4.727 -9.352 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.145 -6.823 -10.110 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.808 -7.018 -8.499 1.00 0.00 H new ATOM 0 HG CYS A 7 -15.847 -6.006 -10.171 1.00 0.00 H new ATOM 114 N GLY A 8 -12.651 -5.425 -6.209 1.00 0.00 N ATOM 115 CA GLY A 8 -12.896 -4.821 -4.895 1.00 0.00 C ATOM 116 C GLY A 8 -11.823 -3.795 -4.538 1.00 0.00 C ATOM 117 O GLY A 8 -12.156 -2.684 -4.142 1.00 0.00 O ATOM 0 H GLY A 8 -12.450 -6.424 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.875 -4.341 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.921 -5.601 -4.134 1.00 0.00 H new ATOM 121 N LEU A 9 -10.544 -4.126 -4.745 1.00 0.00 N ATOM 122 CA LEU A 9 -9.406 -3.233 -4.544 1.00 0.00 C ATOM 123 C LEU A 9 -9.454 -2.024 -5.484 1.00 0.00 C ATOM 124 O LEU A 9 -9.370 -0.903 -4.994 1.00 0.00 O ATOM 125 CB LEU A 9 -8.119 -4.064 -4.700 1.00 0.00 C ATOM 126 CG LEU A 9 -6.841 -3.258 -4.421 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.835 -2.706 -2.991 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.607 -4.134 -4.656 1.00 0.00 C ATOM 0 H LEU A 9 -10.267 -5.053 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.436 -2.807 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.159 -4.916 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.074 -4.466 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.816 -2.412 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.918 -2.140 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.696 -2.052 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.886 -3.532 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.706 -3.554 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.640 -4.995 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.596 -4.477 -5.691 1.00 0.00 H new ATOM 140 N VAL A 10 -9.664 -2.224 -6.790 1.00 0.00 N ATOM 141 CA VAL A 10 -9.854 -1.134 -7.772 1.00 0.00 C ATOM 142 C VAL A 10 -10.908 -0.133 -7.270 1.00 0.00 C ATOM 143 O VAL A 10 -10.682 1.074 -7.280 1.00 0.00 O ATOM 144 CB VAL A 10 -10.254 -1.687 -9.167 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.783 -0.601 -10.118 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.077 -2.379 -9.872 1.00 0.00 C ATOM 0 H VAL A 10 -9.708 -3.154 -7.206 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.901 -0.617 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.049 -2.403 -8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.045 -1.052 -11.075 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.667 -0.135 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.013 0.155 -10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.402 -2.750 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.265 -1.665 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.728 -3.213 -9.263 1.00 0.00 H new ATOM 156 N HIS A 11 -12.037 -0.633 -6.763 1.00 0.00 N ATOM 157 CA HIS A 11 -13.129 0.185 -6.217 1.00 0.00 C ATOM 158 C HIS A 11 -12.770 0.881 -4.889 1.00 0.00 C ATOM 159 O HIS A 11 -13.081 2.059 -4.708 1.00 0.00 O ATOM 160 CB HIS A 11 -14.373 -0.694 -6.028 1.00 0.00 C ATOM 161 CG HIS A 11 -15.050 -1.162 -7.295 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.256 -1.868 -7.320 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.640 -0.943 -8.582 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.534 -2.066 -8.618 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.585 -1.522 -9.398 1.00 0.00 N ATOM 0 H HIS A 11 -12.224 -1.635 -6.718 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.323 0.981 -6.936 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.089 -1.571 -5.446 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.100 -0.139 -5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.750 -0.419 -8.896 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.403 -2.591 -8.986 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.568 -1.536 -10.418 1.00 0.00 H new ATOM 173 N GLU A 12 -12.095 0.180 -3.979 1.00 0.00 N ATOM 174 CA GLU A 12 -11.690 0.692 -2.665 1.00 0.00 C ATOM 175 C GLU A 12 -10.678 1.836 -2.799 1.00 0.00 C ATOM 176 O GLU A 12 -10.756 2.834 -2.091 1.00 0.00 O ATOM 177 CB GLU A 12 -11.111 -0.472 -1.838 1.00 0.00 C ATOM 178 CG GLU A 12 -11.309 -0.350 -0.325 1.00 0.00 C ATOM 179 CD GLU A 12 -12.787 -0.198 0.076 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.628 -1.040 -0.313 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.132 0.784 0.771 1.00 0.00 O ATOM 0 H GLU A 12 -11.806 -0.785 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.561 1.103 -2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.569 -1.401 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.044 -0.549 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.894 -1.232 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.748 0.510 0.041 1.00 0.00 H new ATOM 188 N LEU A 13 -9.771 1.741 -3.771 1.00 0.00 N ATOM 189 CA LEU A 13 -8.793 2.787 -4.080 1.00 0.00 C ATOM 190 C LEU A 13 -9.422 3.959 -4.841 1.00 0.00 C ATOM 191 O LEU A 13 -9.127 5.114 -4.534 1.00 0.00 O ATOM 192 CB LEU A 13 -7.650 2.156 -4.877 1.00 0.00 C ATOM 193 CG LEU A 13 -6.909 1.033 -4.140 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.918 0.392 -5.110 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.176 1.522 -2.889 1.00 0.00 C ATOM 0 H LEU A 13 -9.693 0.923 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.411 3.205 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.050 1.760 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.934 2.935 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.648 0.308 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.381 -0.410 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.458 -0.016 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.208 1.144 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.671 0.682 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.440 2.276 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.894 1.957 -2.194 1.00 0.00 H new ATOM 207 N ARG A 14 -10.338 3.689 -5.778 1.00 0.00 N ATOM 208 CA ARG A 14 -11.142 4.739 -6.436 1.00 0.00 C ATOM 209 C ARG A 14 -11.921 5.583 -5.408 1.00 0.00 C ATOM 210 O ARG A 14 -11.946 6.811 -5.506 1.00 0.00 O ATOM 211 CB ARG A 14 -12.109 4.130 -7.465 1.00 0.00 C ATOM 212 CG ARG A 14 -11.436 3.772 -8.799 1.00 0.00 C ATOM 213 CD ARG A 14 -12.385 2.906 -9.634 1.00 0.00 C ATOM 214 NE ARG A 14 -11.845 2.604 -10.970 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.410 1.785 -11.853 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.584 1.233 -11.645 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.802 1.481 -12.977 1.00 0.00 N ATOM 0 H ARG A 14 -10.546 2.745 -6.104 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.448 5.397 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.560 3.232 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.919 4.835 -7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.180 4.680 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.504 3.237 -8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.580 1.973 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.341 3.419 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.972 3.057 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.094 1.428 -10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.986 0.610 -12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.884 1.874 -13.183 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.248 0.851 -13.644 1.00 0.00 H new ATOM 231 N LYS A 15 -12.497 4.947 -4.382 1.00 0.00 N ATOM 232 CA LYS A 15 -13.150 5.590 -3.239 1.00 0.00 C ATOM 233 C LYS A 15 -12.169 6.422 -2.381 1.00 0.00 C ATOM 234 O LYS A 15 -12.519 7.504 -1.907 1.00 0.00 O ATOM 235 CB LYS A 15 -13.796 4.450 -2.432 1.00 0.00 C ATOM 236 CG LYS A 15 -14.775 4.930 -1.361 1.00 0.00 C ATOM 237 CD LYS A 15 -15.087 3.828 -0.334 1.00 0.00 C ATOM 238 CE LYS A 15 -15.672 2.555 -0.964 1.00 0.00 C ATOM 239 NZ LYS A 15 -15.757 1.452 0.027 1.00 0.00 N ATOM 0 H LYS A 15 -12.521 3.929 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.894 6.312 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.320 3.784 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.010 3.864 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.356 5.796 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.700 5.257 -1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.173 3.572 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.791 4.216 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.665 2.767 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.051 2.244 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.059 0.579 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.824 1.304 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.447 1.700 0.764 1.00 0.00 H new ATOM 253 N HIS A 16 -10.926 5.952 -2.230 1.00 0.00 N ATOM 254 CA HIS A 16 -9.889 6.547 -1.372 1.00 0.00 C ATOM 255 C HIS A 16 -8.976 7.581 -2.076 1.00 0.00 C ATOM 256 O HIS A 16 -8.040 8.099 -1.457 1.00 0.00 O ATOM 257 CB HIS A 16 -9.097 5.404 -0.708 1.00 0.00 C ATOM 258 CG HIS A 16 -9.907 4.568 0.257 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.245 4.761 0.628 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.427 3.477 0.914 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.536 3.751 1.463 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.468 2.961 1.652 1.00 0.00 N ATOM 0 H HIS A 16 -10.600 5.118 -2.718 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.389 7.147 -0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.697 4.754 -1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.245 5.828 -0.177 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.420 3.090 0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.501 3.595 1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.434 2.127 2.238 1.00 0.00 H new ATOM 270 N GLY A 17 -9.248 7.917 -3.345 1.00 0.00 N ATOM 271 CA GLY A 17 -8.582 9.005 -4.078 1.00 0.00 C ATOM 272 C GLY A 17 -7.349 8.571 -4.874 1.00 0.00 C ATOM 273 O GLY A 17 -6.373 9.321 -4.943 1.00 0.00 O ATOM 0 H GLY A 17 -9.951 7.431 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.300 9.458 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.287 9.778 -3.368 1.00 0.00 H new ATOM 277 N PHE A 18 -7.374 7.374 -5.464 1.00 0.00 N ATOM 278 CA PHE A 18 -6.350 6.871 -6.384 1.00 0.00 C ATOM 279 C PHE A 18 -6.838 7.042 -7.834 1.00 0.00 C ATOM 280 O PHE A 18 -8.007 6.786 -8.137 1.00 0.00 O ATOM 281 CB PHE A 18 -6.049 5.405 -6.059 1.00 0.00 C ATOM 282 CG PHE A 18 -5.337 5.161 -4.737 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.975 5.423 -3.508 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.024 4.656 -4.730 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.297 5.223 -2.299 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.347 4.434 -3.519 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.982 4.724 -2.301 1.00 0.00 C ATOM 0 H PHE A 18 -8.130 6.707 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.426 7.438 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.988 4.852 -6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.440 4.991 -6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.994 5.781 -3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.531 4.437 -5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.785 5.452 -1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.341 4.041 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.462 4.564 -1.368 1.00 0.00 H new ATOM 297 N GLU A 19 -5.955 7.487 -8.730 1.00 0.00 N ATOM 298 CA GLU A 19 -6.315 7.855 -10.106 1.00 0.00 C ATOM 299 C GLU A 19 -6.531 6.621 -10.993 1.00 0.00 C ATOM 300 O GLU A 19 -5.748 5.671 -10.952 1.00 0.00 O ATOM 301 CB GLU A 19 -5.230 8.742 -10.736 1.00 0.00 C ATOM 302 CG GLU A 19 -4.908 10.030 -9.970 1.00 0.00 C ATOM 303 CD GLU A 19 -6.124 10.963 -9.857 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.487 11.616 -10.865 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.719 11.058 -8.759 1.00 0.00 O ATOM 0 H GLU A 19 -4.963 7.604 -8.523 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.253 8.407 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.315 8.157 -10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.543 9.008 -11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.554 9.777 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.096 10.555 -10.473 1.00 0.00 H new ATOM 312 N GLU A 20 -7.561 6.648 -11.845 1.00 0.00 N ATOM 313 CA GLU A 20 -7.927 5.522 -12.718 1.00 0.00 C ATOM 314 C GLU A 20 -6.827 5.123 -13.722 1.00 0.00 C ATOM 315 O GLU A 20 -6.734 3.952 -14.094 1.00 0.00 O ATOM 316 CB GLU A 20 -9.263 5.807 -13.429 1.00 0.00 C ATOM 317 CG GLU A 20 -9.218 6.980 -14.420 1.00 0.00 C ATOM 318 CD GLU A 20 -10.600 7.228 -15.041 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.908 6.634 -16.102 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.387 8.025 -14.477 1.00 0.00 O ATOM 0 H GLU A 20 -8.171 7.458 -11.951 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.046 4.656 -12.067 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.576 4.909 -13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.024 6.012 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.878 7.880 -13.908 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.494 6.768 -15.207 1.00 0.00 H new ATOM 327 N ASN A 21 -5.951 6.057 -14.117 1.00 0.00 N ATOM 328 CA ASN A 21 -4.803 5.785 -14.992 1.00 0.00 C ATOM 329 C ASN A 21 -3.574 5.226 -14.242 1.00 0.00 C ATOM 330 O ASN A 21 -2.681 4.657 -14.874 1.00 0.00 O ATOM 331 CB ASN A 21 -4.447 7.049 -15.796 1.00 0.00 C ATOM 332 CG ASN A 21 -3.764 8.139 -14.971 1.00 0.00 C ATOM 333 OD1 ASN A 21 -4.138 8.421 -13.841 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.736 8.775 -15.504 1.00 0.00 N ATOM 0 H ASN A 21 -6.021 7.035 -13.834 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.104 4.994 -15.679 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.793 6.769 -16.622 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.358 7.457 -16.235 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.254 9.501 -14.973 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.424 8.540 -16.446 1.00 0.00 H new ATOM 341 N LEU A 22 -3.535 5.347 -12.907 1.00 0.00 N ATOM 342 CA LEU A 22 -2.510 4.751 -12.039 1.00 0.00 C ATOM 343 C LEU A 22 -2.987 3.446 -11.384 1.00 0.00 C ATOM 344 O LEU A 22 -2.165 2.682 -10.884 1.00 0.00 O ATOM 345 CB LEU A 22 -2.096 5.765 -10.957 1.00 0.00 C ATOM 346 CG LEU A 22 -1.548 7.113 -11.464 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.108 7.957 -10.260 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.382 6.969 -12.453 1.00 0.00 C ATOM 0 H LEU A 22 -4.235 5.877 -12.388 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.652 4.502 -12.664 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.961 5.963 -10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.338 5.302 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.354 7.602 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.718 8.913 -10.609 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.962 8.130 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.330 7.428 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.047 7.958 -12.767 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.442 6.444 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.712 6.403 -13.324 1.00 0.00 H new ATOM 360 N MET A 23 -4.295 3.171 -11.395 1.00 0.00 N ATOM 361 CA MET A 23 -4.933 2.029 -10.727 1.00 0.00 C ATOM 362 C MET A 23 -4.262 0.687 -11.060 1.00 0.00 C ATOM 363 O MET A 23 -3.953 -0.082 -10.148 1.00 0.00 O ATOM 364 CB MET A 23 -6.431 2.057 -11.087 1.00 0.00 C ATOM 365 CG MET A 23 -7.320 1.227 -10.152 1.00 0.00 C ATOM 366 SD MET A 23 -7.230 1.694 -8.409 1.00 0.00 S ATOM 367 CE MET A 23 -7.704 3.434 -8.552 1.00 0.00 C ATOM 0 H MET A 23 -4.966 3.760 -11.888 1.00 0.00 H new ATOM 0 HA MET A 23 -4.812 2.121 -9.648 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.776 3.091 -11.075 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.555 1.691 -12.106 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.354 1.315 -10.484 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.043 0.177 -10.247 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.242 3.740 -7.654 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.810 4.047 -8.666 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.347 3.566 -9.422 1.00 0.00 H new ATOM 377 N ARG A 24 -3.931 0.443 -12.338 1.00 0.00 N ATOM 378 CA ARG A 24 -3.178 -0.742 -12.787 1.00 0.00 C ATOM 379 C ARG A 24 -1.837 -0.901 -12.054 1.00 0.00 C ATOM 380 O ARG A 24 -1.554 -1.975 -11.523 1.00 0.00 O ATOM 381 CB ARG A 24 -2.932 -0.685 -14.306 1.00 0.00 C ATOM 382 CG ARG A 24 -4.228 -0.616 -15.125 1.00 0.00 C ATOM 383 CD ARG A 24 -3.973 -0.703 -16.634 1.00 0.00 C ATOM 384 NE ARG A 24 -3.585 -2.066 -17.035 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.179 -2.460 -18.235 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.028 -1.617 -19.236 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.918 -3.731 -18.444 1.00 0.00 N ATOM 0 H ARG A 24 -4.182 1.072 -13.101 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.792 -1.610 -12.546 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.318 0.185 -14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.364 -1.565 -14.609 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.888 -1.429 -14.824 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.747 0.316 -14.900 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.872 -0.405 -17.174 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.186 -0.002 -16.913 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.634 -2.784 -16.312 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.225 -0.625 -19.102 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.714 -1.956 -20.145 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.028 -4.405 -17.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.605 -4.043 -19.363 1.00 0.00 H new ATOM 401 N ASN A 25 -1.036 0.167 -11.962 1.00 0.00 N ATOM 402 CA ASN A 25 0.231 0.169 -11.219 1.00 0.00 C ATOM 403 C ASN A 25 -0.012 -0.110 -9.730 1.00 0.00 C ATOM 404 O ASN A 25 0.659 -0.962 -9.150 1.00 0.00 O ATOM 405 CB ASN A 25 0.970 1.514 -11.361 1.00 0.00 C ATOM 406 CG ASN A 25 1.506 1.828 -12.754 1.00 0.00 C ATOM 407 OD1 ASN A 25 0.957 1.434 -13.774 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.601 2.562 -12.833 1.00 0.00 N ATOM 0 H ASN A 25 -1.250 1.061 -12.404 1.00 0.00 H new ATOM 0 HA ASN A 25 0.851 -0.620 -11.645 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.292 2.314 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.804 1.526 -10.659 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.990 2.801 -13.745 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.058 2.890 -11.982 1.00 0.00 H new ATOM 415 N TRP A 26 -1.002 0.556 -9.123 1.00 0.00 N ATOM 416 CA TRP A 26 -1.315 0.426 -7.701 1.00 0.00 C ATOM 417 C TRP A 26 -1.789 -0.985 -7.330 1.00 0.00 C ATOM 418 O TRP A 26 -1.224 -1.579 -6.409 1.00 0.00 O ATOM 419 CB TRP A 26 -2.330 1.505 -7.302 1.00 0.00 C ATOM 420 CG TRP A 26 -1.750 2.871 -7.085 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.015 3.982 -7.810 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.840 3.301 -6.025 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.361 5.067 -7.257 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.655 4.713 -6.127 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.174 2.641 -4.967 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.099 5.440 -5.193 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.607 3.358 -4.040 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.733 4.754 -4.142 1.00 0.00 C ATOM 0 H TRP A 26 -1.614 1.207 -9.615 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.399 0.580 -7.131 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.093 1.570 -8.078 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.832 1.190 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.643 4.016 -8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.396 6.013 -7.638 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.266 1.569 -4.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.191 6.513 -5.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.113 2.831 -3.245 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.316 5.299 -3.414 1.00 0.00 H new ATOM 439 N VAL A 27 -2.744 -1.571 -8.064 1.00 0.00 N ATOM 440 CA VAL A 27 -3.203 -2.941 -7.753 1.00 0.00 C ATOM 441 C VAL A 27 -2.108 -3.980 -8.011 1.00 0.00 C ATOM 442 O VAL A 27 -1.975 -4.916 -7.232 1.00 0.00 O ATOM 443 CB VAL A 27 -4.525 -3.363 -8.435 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.633 -2.335 -8.172 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.387 -3.653 -9.938 1.00 0.00 C ATOM 0 H VAL A 27 -3.208 -1.134 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.425 -2.909 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.805 -4.311 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.552 -2.656 -8.663 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.805 -2.252 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.331 -1.365 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.357 -3.942 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.032 -2.759 -10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.674 -4.464 -10.088 1.00 0.00 H new ATOM 455 N CYS A 28 -1.266 -3.789 -9.035 1.00 0.00 N ATOM 456 CA CYS A 28 -0.171 -4.715 -9.352 1.00 0.00 C ATOM 457 C CYS A 28 0.981 -4.644 -8.333 1.00 0.00 C ATOM 458 O CYS A 28 1.577 -5.670 -8.002 1.00 0.00 O ATOM 459 CB CYS A 28 0.290 -4.431 -10.783 1.00 0.00 C ATOM 460 SG CYS A 28 1.273 -5.750 -11.540 1.00 0.00 S ATOM 0 H CYS A 28 -1.324 -2.990 -9.666 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.533 -5.741 -9.283 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.588 -4.250 -11.403 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.877 -3.513 -10.785 1.00 0.00 H new ATOM 0 HG CYS A 28 2.113 -6.221 -10.667 1.00 0.00 H new ATOM 465 N LEU A 29 1.231 -3.453 -7.773 1.00 0.00 N ATOM 466 CA LEU A 29 2.128 -3.206 -6.638 1.00 0.00 C ATOM 467 C LEU A 29 1.573 -3.881 -5.379 1.00 0.00 C ATOM 468 O LEU A 29 2.260 -4.700 -4.772 1.00 0.00 O ATOM 469 CB LEU A 29 2.296 -1.674 -6.515 1.00 0.00 C ATOM 470 CG LEU A 29 3.185 -1.111 -5.384 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.453 0.371 -5.692 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.538 -1.191 -3.993 1.00 0.00 C ATOM 0 H LEU A 29 0.793 -2.597 -8.115 1.00 0.00 H new ATOM 0 HA LEU A 29 3.116 -3.643 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.695 -1.309 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.302 -1.241 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 29 4.092 -1.715 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.080 0.798 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.962 0.457 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.507 0.911 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.220 -0.778 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.609 -0.620 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.325 -2.232 -3.750 1.00 0.00 H new ATOM 484 N VAL A 30 0.323 -3.590 -5.016 1.00 0.00 N ATOM 485 CA VAL A 30 -0.333 -4.139 -3.812 1.00 0.00 C ATOM 486 C VAL A 30 -0.415 -5.672 -3.854 1.00 0.00 C ATOM 487 O VAL A 30 -0.155 -6.325 -2.843 1.00 0.00 O ATOM 488 CB VAL A 30 -1.731 -3.504 -3.626 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.619 -4.269 -2.638 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.593 -2.051 -3.141 1.00 0.00 C ATOM 0 H VAL A 30 -0.275 -2.960 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 30 0.280 -3.881 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.213 -3.545 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.584 -3.770 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.767 -5.288 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.138 -4.294 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.584 -1.614 -3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.064 -2.034 -2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.034 -1.473 -3.877 1.00 0.00 H new ATOM 500 N GLU A 31 -0.711 -6.254 -5.021 1.00 0.00 N ATOM 501 CA GLU A 31 -0.720 -7.709 -5.216 1.00 0.00 C ATOM 502 C GLU A 31 0.661 -8.356 -5.005 1.00 0.00 C ATOM 503 O GLU A 31 0.726 -9.503 -4.566 1.00 0.00 O ATOM 504 CB GLU A 31 -1.232 -8.050 -6.627 1.00 0.00 C ATOM 505 CG GLU A 31 -2.760 -7.963 -6.698 1.00 0.00 C ATOM 506 CD GLU A 31 -3.336 -8.064 -8.113 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.633 -8.453 -9.071 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.556 -7.823 -8.257 1.00 0.00 O ATOM 0 H GLU A 31 -0.952 -5.728 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.388 -8.118 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.792 -7.365 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.909 -9.054 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.185 -8.760 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.079 -7.019 -6.256 1.00 0.00 H new ATOM 515 N HIS A 32 1.765 -7.643 -5.250 1.00 0.00 N ATOM 516 CA HIS A 32 3.118 -8.150 -4.988 1.00 0.00 C ATOM 517 C HIS A 32 3.604 -7.890 -3.546 1.00 0.00 C ATOM 518 O HIS A 32 4.366 -8.691 -2.997 1.00 0.00 O ATOM 519 CB HIS A 32 4.082 -7.548 -6.015 1.00 0.00 C ATOM 520 CG HIS A 32 5.266 -8.442 -6.257 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.489 -8.392 -5.587 1.00 0.00 N ATOM 522 CD2 HIS A 32 5.274 -9.502 -7.114 1.00 0.00 C ATOM 523 CE1 HIS A 32 7.207 -9.421 -6.067 1.00 0.00 C ATOM 524 NE2 HIS A 32 6.506 -10.104 -6.990 1.00 0.00 N ATOM 0 H HIS A 32 1.747 -6.699 -5.635 1.00 0.00 H new ATOM 0 HA HIS A 32 3.091 -9.235 -5.090 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.555 -7.380 -6.954 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.426 -6.575 -5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.469 -9.810 -7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.211 -9.667 -5.754 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.830 -10.922 -7.506 1.00 0.00 H new ATOM 532 N GLU A 33 3.144 -6.799 -2.923 1.00 0.00 N ATOM 533 CA GLU A 33 3.539 -6.412 -1.565 1.00 0.00 C ATOM 534 C GLU A 33 2.768 -7.218 -0.504 1.00 0.00 C ATOM 535 O GLU A 33 3.383 -7.906 0.309 1.00 0.00 O ATOM 536 CB GLU A 33 3.360 -4.896 -1.357 1.00 0.00 C ATOM 537 CG GLU A 33 4.378 -4.034 -2.126 1.00 0.00 C ATOM 538 CD GLU A 33 5.846 -4.258 -1.721 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.126 -4.570 -0.540 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.732 -4.097 -2.591 1.00 0.00 O ATOM 0 H GLU A 33 2.481 -6.154 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 33 4.597 -6.646 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.354 -4.614 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.441 -4.674 -0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.274 -4.237 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.130 -2.983 -1.976 1.00 0.00 H new ATOM 547 N SER A 34 1.431 -7.184 -0.508 1.00 0.00 N ATOM 548 CA SER A 34 0.600 -7.844 0.516 1.00 0.00 C ATOM 549 C SER A 34 -0.288 -8.971 -0.026 1.00 0.00 C ATOM 550 O SER A 34 -0.913 -9.684 0.756 1.00 0.00 O ATOM 551 CB SER A 34 -0.303 -6.803 1.184 1.00 0.00 C ATOM 552 OG SER A 34 -1.245 -6.288 0.252 1.00 0.00 O ATOM 0 H SER A 34 0.889 -6.697 -1.222 1.00 0.00 H new ATOM 0 HA SER A 34 1.297 -8.296 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.826 -7.255 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.303 -5.990 1.584 1.00 0.00 H new ATOM 0 HG SER A 34 -1.139 -5.316 0.183 1.00 0.00 H new ATOM 558 N SER A 35 -0.376 -9.127 -1.349 1.00 0.00 N ATOM 559 CA SER A 35 -1.357 -9.989 -2.032 1.00 0.00 C ATOM 560 C SER A 35 -2.811 -9.522 -1.807 1.00 0.00 C ATOM 561 O SER A 35 -3.735 -10.339 -1.822 1.00 0.00 O ATOM 562 CB SER A 35 -1.186 -11.480 -1.689 1.00 0.00 C ATOM 563 OG SER A 35 0.147 -11.937 -1.884 1.00 0.00 O ATOM 0 H SER A 35 0.248 -8.646 -1.997 1.00 0.00 H new ATOM 0 HA SER A 35 -1.146 -9.885 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.475 -11.646 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.863 -12.071 -2.306 1.00 0.00 H new ATOM 0 HG SER A 35 0.204 -12.887 -1.651 1.00 0.00 H new ATOM 569 N ARG A 36 -3.022 -8.211 -1.579 1.00 0.00 N ATOM 570 CA ARG A 36 -4.335 -7.587 -1.332 1.00 0.00 C ATOM 571 C ARG A 36 -4.911 -7.965 0.048 1.00 0.00 C ATOM 572 O ARG A 36 -6.128 -8.014 0.216 1.00 0.00 O ATOM 573 CB ARG A 36 -5.356 -7.870 -2.459 1.00 0.00 C ATOM 574 CG ARG A 36 -4.794 -7.805 -3.889 1.00 0.00 C ATOM 575 CD ARG A 36 -5.908 -7.831 -4.946 1.00 0.00 C ATOM 576 NE ARG A 36 -6.582 -9.141 -4.956 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.571 -10.069 -5.905 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.027 -9.886 -7.089 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.138 -11.230 -5.660 1.00 0.00 N ATOM 0 H ARG A 36 -2.258 -7.536 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.154 -6.512 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.783 -8.860 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.173 -7.153 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.204 -6.896 -4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.120 -8.646 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.633 -7.044 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.488 -7.624 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.129 -9.364 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.585 -8.995 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.048 -10.635 -7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.575 -11.403 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.141 -11.957 -6.375 1.00 0.00 H new ATOM 593 N ASP A 37 -4.056 -8.224 1.039 1.00 0.00 N ATOM 594 CA ASP A 37 -4.430 -8.686 2.386 1.00 0.00 C ATOM 595 C ASP A 37 -3.953 -7.711 3.472 1.00 0.00 C ATOM 596 O ASP A 37 -2.746 -7.507 3.634 1.00 0.00 O ATOM 597 CB ASP A 37 -3.840 -10.086 2.626 1.00 0.00 C ATOM 598 CG ASP A 37 -4.204 -10.655 4.005 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.353 -10.441 4.455 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.339 -11.326 4.616 1.00 0.00 O ATOM 0 H ASP A 37 -3.048 -8.116 0.927 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.517 -8.730 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.198 -10.764 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.755 -10.039 2.532 1.00 0.00 H new ATOM 605 N THR A 38 -4.889 -7.102 4.220 1.00 0.00 N ATOM 606 CA THR A 38 -4.529 -6.116 5.259 1.00 0.00 C ATOM 607 C THR A 38 -3.801 -6.770 6.425 1.00 0.00 C ATOM 608 O THR A 38 -2.980 -6.125 7.065 1.00 0.00 O ATOM 609 CB THR A 38 -5.713 -5.308 5.805 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.668 -6.130 6.420 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.434 -4.492 4.742 1.00 0.00 C ATOM 0 H THR A 38 -5.891 -7.271 4.128 1.00 0.00 H new ATOM 0 HA THR A 38 -3.870 -5.416 4.746 1.00 0.00 H new ATOM 0 HB THR A 38 -5.262 -4.630 6.529 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.315 -5.575 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.259 -3.947 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.737 -3.785 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.822 -5.159 3.972 1.00 0.00 H new ATOM 619 N SER A 39 -4.040 -8.055 6.678 1.00 0.00 N ATOM 620 CA SER A 39 -3.442 -8.804 7.789 1.00 0.00 C ATOM 621 C SER A 39 -1.953 -9.156 7.580 1.00 0.00 C ATOM 622 O SER A 39 -1.318 -9.714 8.479 1.00 0.00 O ATOM 623 CB SER A 39 -4.242 -10.095 8.020 1.00 0.00 C ATOM 624 OG SER A 39 -5.598 -9.837 8.360 1.00 0.00 O ATOM 0 H SER A 39 -4.668 -8.620 6.106 1.00 0.00 H new ATOM 0 HA SER A 39 -3.484 -8.150 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.206 -10.708 7.119 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.774 -10.672 8.817 1.00 0.00 H new ATOM 0 HG SER A 39 -6.068 -10.686 8.496 1.00 0.00 H new ATOM 630 N LYS A 40 -1.377 -8.861 6.409 1.00 0.00 N ATOM 631 CA LYS A 40 -0.028 -9.292 6.034 1.00 0.00 C ATOM 632 C LYS A 40 1.084 -8.481 6.735 1.00 0.00 C ATOM 633 O LYS A 40 0.994 -7.253 6.874 1.00 0.00 O ATOM 634 CB LYS A 40 0.093 -9.231 4.498 1.00 0.00 C ATOM 635 CG LYS A 40 1.243 -10.088 3.933 1.00 0.00 C ATOM 636 CD LYS A 40 0.986 -11.605 3.957 1.00 0.00 C ATOM 637 CE LYS A 40 -0.221 -11.996 3.088 1.00 0.00 C ATOM 638 NZ LYS A 40 -0.444 -13.464 3.076 1.00 0.00 N ATOM 0 H LYS A 40 -1.841 -8.310 5.687 1.00 0.00 H new ATOM 0 HA LYS A 40 0.118 -10.317 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.846 -9.562 4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.241 -8.195 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.435 -9.782 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.148 -9.878 4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.874 -12.129 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.814 -11.928 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.115 -11.496 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.063 -11.645 2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.266 -13.685 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.399 -13.940 2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.621 -13.796 4.046 1.00 0.00 H new ATOM 652 N THR A 41 2.179 -9.165 7.087 1.00 0.00 N ATOM 653 CA THR A 41 3.396 -8.614 7.712 1.00 0.00 C ATOM 654 C THR A 41 4.648 -9.306 7.193 1.00 0.00 C ATOM 655 O THR A 41 4.609 -10.469 6.790 1.00 0.00 O ATOM 656 CB THR A 41 3.377 -8.713 9.250 1.00 0.00 C ATOM 657 OG1 THR A 41 2.884 -9.977 9.643 1.00 0.00 O ATOM 658 CG2 THR A 41 2.548 -7.626 9.933 1.00 0.00 C ATOM 0 H THR A 41 2.248 -10.172 6.937 1.00 0.00 H new ATOM 0 HA THR A 41 3.413 -7.559 7.437 1.00 0.00 H new ATOM 0 HB THR A 41 4.409 -8.573 9.570 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.876 -10.035 10.621 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.585 -7.765 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.953 -6.646 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.514 -7.690 9.594 1.00 0.00 H new ATOM 666 N ASN A 42 5.767 -8.580 7.237 1.00 0.00 N ATOM 667 CA ASN A 42 7.094 -9.038 6.814 1.00 0.00 C ATOM 668 C ASN A 42 8.194 -8.363 7.654 1.00 0.00 C ATOM 669 O ASN A 42 8.224 -7.135 7.766 1.00 0.00 O ATOM 670 CB ASN A 42 7.290 -8.731 5.319 1.00 0.00 C ATOM 671 CG ASN A 42 6.587 -9.731 4.406 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.055 -10.847 4.204 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.471 -9.358 3.807 1.00 0.00 N ATOM 0 H ASN A 42 5.775 -7.620 7.581 1.00 0.00 H new ATOM 0 HA ASN A 42 7.166 -10.114 6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.916 -7.729 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.356 -8.727 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.994 -9.999 3.173 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.086 -8.429 3.978 1.00 0.00 H new ATOM 680 N THR A 43 9.093 -9.157 8.252 1.00 0.00 N ATOM 681 CA THR A 43 10.171 -8.690 9.149 1.00 0.00 C ATOM 682 C THR A 43 11.472 -8.523 8.369 1.00 0.00 C ATOM 683 O THR A 43 11.809 -9.355 7.527 1.00 0.00 O ATOM 684 CB THR A 43 10.352 -9.664 10.321 1.00 0.00 C ATOM 685 OG1 THR A 43 9.094 -9.886 10.923 1.00 0.00 O ATOM 686 CG2 THR A 43 11.282 -9.103 11.400 1.00 0.00 C ATOM 0 H THR A 43 9.095 -10.169 8.125 1.00 0.00 H new ATOM 0 HA THR A 43 9.893 -7.719 9.558 1.00 0.00 H new ATOM 0 HB THR A 43 10.788 -10.580 9.922 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.196 -10.509 11.673 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.380 -9.827 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.263 -8.907 10.968 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.866 -8.175 11.792 1.00 0.00 H new ATOM 694 N ASN A 44 12.202 -7.446 8.655 1.00 0.00 N ATOM 695 CA ASN A 44 13.445 -7.059 7.980 1.00 0.00 C ATOM 696 C ASN A 44 14.688 -7.417 8.816 1.00 0.00 C ATOM 697 O ASN A 44 14.622 -7.523 10.043 1.00 0.00 O ATOM 698 CB ASN A 44 13.419 -5.546 7.695 1.00 0.00 C ATOM 699 CG ASN A 44 12.232 -5.126 6.833 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.299 -5.124 5.609 1.00 0.00 O ATOM 701 ND2 ASN A 44 11.128 -4.761 7.455 1.00 0.00 N ATOM 0 H ASN A 44 11.936 -6.792 9.391 1.00 0.00 H new ATOM 0 HA ASN A 44 13.511 -7.615 7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.386 -5.004 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.344 -5.259 7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.312 -4.471 6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.090 -4.769 8.474 1.00 0.00 H new ATOM 708 N ARG A 45 15.852 -7.513 8.159 1.00 0.00 N ATOM 709 CA ARG A 45 17.155 -7.793 8.803 1.00 0.00 C ATOM 710 C ARG A 45 17.587 -6.697 9.797 1.00 0.00 C ATOM 711 O ARG A 45 18.323 -6.962 10.748 1.00 0.00 O ATOM 712 CB ARG A 45 18.251 -7.991 7.740 1.00 0.00 C ATOM 713 CG ARG A 45 17.921 -9.136 6.768 1.00 0.00 C ATOM 714 CD ARG A 45 19.062 -9.419 5.780 1.00 0.00 C ATOM 715 NE ARG A 45 20.240 -10.004 6.448 1.00 0.00 N ATOM 716 CZ ARG A 45 21.431 -10.222 5.897 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.685 -9.920 4.639 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.394 -10.754 6.617 1.00 0.00 N ATOM 0 H ARG A 45 15.922 -7.397 7.148 1.00 0.00 H new ATOM 0 HA ARG A 45 17.022 -8.711 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.380 -7.066 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.200 -8.199 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.706 -10.040 7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.017 -8.887 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.710 -10.100 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.350 -8.492 5.284 1.00 0.00 H new ATOM 0 HE ARG A 45 20.131 -10.267 7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.957 -9.506 4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.610 -10.100 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.226 -10.997 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.309 -10.923 6.199 1.00 0.00 H new ATOM 732 N ASN A 46 17.076 -5.477 9.606 1.00 0.00 N ATOM 733 CA ASN A 46 17.211 -4.334 10.518 1.00 0.00 C ATOM 734 C ASN A 46 16.550 -4.552 11.901 1.00 0.00 C ATOM 735 O ASN A 46 16.980 -3.957 12.893 1.00 0.00 O ATOM 736 CB ASN A 46 16.596 -3.117 9.797 1.00 0.00 C ATOM 737 CG ASN A 46 16.443 -1.894 10.696 1.00 0.00 C ATOM 738 OD1 ASN A 46 15.443 -1.746 11.388 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.414 -1.000 10.717 1.00 0.00 N ATOM 0 H ASN A 46 16.532 -5.248 8.774 1.00 0.00 H new ATOM 0 HA ASN A 46 18.267 -4.184 10.743 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.221 -2.855 8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.618 -3.394 9.403 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.336 -0.176 11.313 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.242 -1.133 10.137 1.00 0.00 H new ATOM 746 N GLY A 47 15.499 -5.382 11.969 1.00 0.00 N ATOM 747 CA GLY A 47 14.617 -5.549 13.136 1.00 0.00 C ATOM 748 C GLY A 47 13.288 -4.793 13.011 1.00 0.00 C ATOM 749 O GLY A 47 12.379 -5.028 13.807 1.00 0.00 O ATOM 0 H GLY A 47 15.229 -5.977 11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.411 -6.610 13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.139 -5.205 14.029 1.00 0.00 H new ATOM 753 N SER A 48 13.146 -3.909 12.021 1.00 0.00 N ATOM 754 CA SER A 48 11.866 -3.290 11.651 1.00 0.00 C ATOM 755 C SER A 48 10.922 -4.298 10.966 1.00 0.00 C ATOM 756 O SER A 48 11.348 -5.319 10.414 1.00 0.00 O ATOM 757 CB SER A 48 12.107 -2.077 10.747 1.00 0.00 C ATOM 758 OG SER A 48 12.800 -2.430 9.555 1.00 0.00 O ATOM 0 H SER A 48 13.927 -3.597 11.444 1.00 0.00 H new ATOM 0 HA SER A 48 11.379 -2.958 12.568 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.151 -1.621 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.681 -1.327 11.292 1.00 0.00 H new ATOM 0 HG SER A 48 13.764 -2.315 9.691 1.00 0.00 H new ATOM 764 N LYS A 49 9.623 -4.001 10.952 1.00 0.00 N ATOM 765 CA LYS A 49 8.585 -4.819 10.315 1.00 0.00 C ATOM 766 C LYS A 49 7.668 -3.958 9.431 1.00 0.00 C ATOM 767 O LYS A 49 7.449 -2.772 9.690 1.00 0.00 O ATOM 768 CB LYS A 49 7.809 -5.609 11.391 1.00 0.00 C ATOM 769 CG LYS A 49 7.021 -6.809 10.834 1.00 0.00 C ATOM 770 CD LYS A 49 6.161 -7.529 11.884 1.00 0.00 C ATOM 771 CE LYS A 49 6.996 -8.063 13.051 1.00 0.00 C ATOM 772 NZ LYS A 49 6.169 -8.818 14.027 1.00 0.00 N ATOM 0 H LYS A 49 9.251 -3.161 11.395 1.00 0.00 H new ATOM 0 HA LYS A 49 9.054 -5.544 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.512 -5.966 12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.117 -4.934 11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.377 -6.464 10.025 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.722 -7.523 10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.406 -6.842 12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.631 -8.356 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.784 -8.710 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.485 -7.231 13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.773 -9.162 14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.432 -8.194 14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.722 -9.627 13.551 1.00 0.00 H new ATOM 786 N ASP A 50 7.153 -4.582 8.378 1.00 0.00 N ATOM 787 CA ASP A 50 6.237 -4.011 7.399 1.00 0.00 C ATOM 788 C ASP A 50 4.799 -4.464 7.697 1.00 0.00 C ATOM 789 O ASP A 50 4.590 -5.614 8.077 1.00 0.00 O ATOM 790 CB ASP A 50 6.635 -4.492 5.995 1.00 0.00 C ATOM 791 CG ASP A 50 8.103 -4.274 5.578 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.815 -3.436 6.180 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.544 -4.964 4.630 1.00 0.00 O ATOM 0 H ASP A 50 7.377 -5.556 8.173 1.00 0.00 H new ATOM 0 HA ASP A 50 6.289 -2.924 7.451 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.416 -5.558 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.997 -3.988 5.269 1.00 0.00 H new ATOM 798 N TYR A 51 3.813 -3.581 7.511 1.00 0.00 N ATOM 799 CA TYR A 51 2.421 -3.770 7.948 1.00 0.00 C ATOM 800 C TYR A 51 1.389 -3.273 6.921 1.00 0.00 C ATOM 801 O TYR A 51 1.604 -2.273 6.231 1.00 0.00 O ATOM 802 CB TYR A 51 2.201 -2.994 9.257 1.00 0.00 C ATOM 803 CG TYR A 51 3.025 -3.442 10.446 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.312 -2.915 10.648 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.474 -4.321 11.396 1.00 0.00 C ATOM 806 CE1 TYR A 51 5.050 -3.266 11.791 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.202 -4.672 12.548 1.00 0.00 C ATOM 808 CZ TYR A 51 4.494 -4.139 12.753 1.00 0.00 C ATOM 809 OH TYR A 51 5.196 -4.474 13.873 1.00 0.00 O ATOM 0 H TYR A 51 3.963 -2.689 7.039 1.00 0.00 H new ATOM 0 HA TYR A 51 2.273 -4.842 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.412 -1.941 9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.147 -3.065 9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.736 -2.237 9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.486 -4.729 11.240 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.044 -2.868 11.934 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.774 -5.347 13.274 1.00 0.00 H new ATOM 0 HH TYR A 51 4.661 -5.082 14.425 1.00 0.00 H new ATOM 819 N GLY A 52 0.233 -3.938 6.845 1.00 0.00 N ATOM 820 CA GLY A 52 -0.925 -3.463 6.077 1.00 0.00 C ATOM 821 C GLY A 52 -0.800 -3.667 4.572 1.00 0.00 C ATOM 822 O GLY A 52 0.178 -4.220 4.071 1.00 0.00 O ATOM 0 H GLY A 52 0.072 -4.827 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.818 -3.979 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.070 -2.402 6.278 1.00 0.00 H new ATOM 826 N LEU A 53 -1.788 -3.186 3.819 1.00 0.00 N ATOM 827 CA LEU A 53 -1.921 -3.514 2.394 1.00 0.00 C ATOM 828 C LEU A 53 -0.782 -3.030 1.486 1.00 0.00 C ATOM 829 O LEU A 53 -0.528 -3.632 0.444 1.00 0.00 O ATOM 830 CB LEU A 53 -3.266 -2.946 1.895 1.00 0.00 C ATOM 831 CG LEU A 53 -3.917 -3.871 0.859 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.798 -4.894 1.563 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.799 -3.106 -0.113 1.00 0.00 C ATOM 0 H LEU A 53 -2.515 -2.563 4.172 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.874 -4.601 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.941 -2.812 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.106 -1.961 1.456 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.107 -4.350 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.258 -5.549 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.191 -5.488 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.577 -4.378 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.239 -3.800 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.592 -2.600 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.199 -2.368 -0.646 1.00 0.00 H new ATOM 845 N PHE A 54 -0.069 -1.986 1.904 1.00 0.00 N ATOM 846 CA PHE A 54 1.080 -1.429 1.189 1.00 0.00 C ATOM 847 C PHE A 54 2.416 -1.825 1.849 1.00 0.00 C ATOM 848 O PHE A 54 3.454 -1.304 1.454 1.00 0.00 O ATOM 849 CB PHE A 54 0.900 0.096 1.073 1.00 0.00 C ATOM 850 CG PHE A 54 -0.355 0.536 0.340 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.583 0.606 1.025 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.300 0.892 -1.022 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.748 1.017 0.360 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.465 1.324 -1.682 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.688 1.385 -0.994 1.00 0.00 C ATOM 0 H PHE A 54 -0.279 -1.491 2.771 1.00 0.00 H new ATOM 0 HA PHE A 54 1.122 -1.850 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.887 0.523 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.768 0.512 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.629 0.341 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.635 0.833 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.689 1.050 0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.419 1.610 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.581 1.714 -1.505 1.00 0.00 H new ATOM 865 N GLN A 55 2.397 -2.718 2.852 1.00 0.00 N ATOM 866 CA GLN A 55 3.568 -3.195 3.599 1.00 0.00 C ATOM 867 C GLN A 55 4.433 -2.021 4.108 1.00 0.00 C ATOM 868 O GLN A 55 5.602 -1.858 3.755 1.00 0.00 O ATOM 869 CB GLN A 55 4.355 -4.230 2.769 1.00 0.00 C ATOM 870 CG GLN A 55 3.603 -5.554 2.567 1.00 0.00 C ATOM 871 CD GLN A 55 3.285 -6.267 3.881 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.121 -6.922 4.488 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.078 -6.154 4.390 1.00 0.00 N ATOM 0 H GLN A 55 1.529 -3.144 3.176 1.00 0.00 H new ATOM 0 HA GLN A 55 3.227 -3.713 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.587 -3.801 1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.305 -4.433 3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.674 -5.360 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.201 -6.213 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.366 -5.612 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.853 -6.608 5.275 1.00 0.00 H new ATOM 882 N ILE A 56 3.817 -1.161 4.919 1.00 0.00 N ATOM 883 CA ILE A 56 4.390 0.096 5.412 1.00 0.00 C ATOM 884 C ILE A 56 5.231 -0.180 6.663 1.00 0.00 C ATOM 885 O ILE A 56 4.798 -0.914 7.548 1.00 0.00 O ATOM 886 CB ILE A 56 3.265 1.124 5.680 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.319 1.223 4.456 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.881 2.486 5.989 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.261 2.327 4.512 1.00 0.00 C ATOM 0 H ILE A 56 2.871 -1.324 5.264 1.00 0.00 H new ATOM 0 HA ILE A 56 5.048 0.527 4.657 1.00 0.00 H new ATOM 0 HB ILE A 56 2.678 0.795 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.927 1.375 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.811 0.266 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.088 3.210 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.517 2.406 6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.479 2.816 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.659 2.300 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.618 2.171 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.751 3.297 4.594 1.00 0.00 H new ATOM 901 N ASN A 57 6.429 0.401 6.743 1.00 0.00 N ATOM 902 CA ASN A 57 7.418 0.051 7.762 1.00 0.00 C ATOM 903 C ASN A 57 7.402 0.993 8.979 1.00 0.00 C ATOM 904 O ASN A 57 7.328 2.220 8.845 1.00 0.00 O ATOM 905 CB ASN A 57 8.791 0.023 7.092 1.00 0.00 C ATOM 906 CG ASN A 57 9.887 -0.487 8.016 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.418 0.252 8.832 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.260 -1.744 7.909 1.00 0.00 N ATOM 0 H ASN A 57 6.741 1.129 6.101 1.00 0.00 H new ATOM 0 HA ASN A 57 7.169 -0.930 8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.745 -0.610 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.046 1.027 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.998 -2.110 8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.811 -2.353 7.225 1.00 0.00 H new ATOM 915 N ASP A 58 7.521 0.400 10.170 1.00 0.00 N ATOM 916 CA ASP A 58 7.447 1.085 11.471 1.00 0.00 C ATOM 917 C ASP A 58 8.572 2.098 11.779 1.00 0.00 C ATOM 918 O ASP A 58 8.470 2.874 12.733 1.00 0.00 O ATOM 919 CB ASP A 58 7.360 0.059 12.605 1.00 0.00 C ATOM 920 CG ASP A 58 8.718 -0.561 12.974 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.130 -1.537 12.310 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.359 -0.080 13.936 1.00 0.00 O ATOM 0 H ASP A 58 7.677 -0.604 10.262 1.00 0.00 H new ATOM 0 HA ASP A 58 6.541 1.687 11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.936 0.539 13.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.673 -0.736 12.314 1.00 0.00 H new ATOM 927 N ARG A 59 9.650 2.088 10.989 1.00 0.00 N ATOM 928 CA ARG A 59 10.811 2.967 11.154 1.00 0.00 C ATOM 929 C ARG A 59 10.690 4.274 10.352 1.00 0.00 C ATOM 930 O ARG A 59 11.403 5.236 10.645 1.00 0.00 O ATOM 931 CB ARG A 59 12.064 2.171 10.757 1.00 0.00 C ATOM 932 CG ARG A 59 13.378 2.853 11.156 1.00 0.00 C ATOM 933 CD ARG A 59 14.569 1.905 10.973 1.00 0.00 C ATOM 934 NE ARG A 59 14.678 0.911 12.053 1.00 0.00 N ATOM 935 CZ ARG A 59 15.179 1.080 13.270 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.523 2.263 13.736 1.00 0.00 N ATOM 937 NH2 ARG A 59 15.352 0.026 14.037 1.00 0.00 N ATOM 0 H ARG A 59 9.741 1.452 10.197 1.00 0.00 H new ATOM 0 HA ARG A 59 10.876 3.280 12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.020 1.186 11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.058 2.015 9.678 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.525 3.748 10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.323 3.176 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.473 1.388 10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.489 2.489 10.928 1.00 0.00 H new ATOM 0 HE ARG A 59 14.325 -0.022 11.840 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.408 3.093 13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.905 2.349 14.678 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.102 -0.901 13.693 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.736 0.136 14.976 1.00 0.00 H new ATOM 951 N TYR A 60 9.775 4.345 9.375 1.00 0.00 N ATOM 952 CA TYR A 60 9.743 5.431 8.377 1.00 0.00 C ATOM 953 C TYR A 60 8.399 6.145 8.170 1.00 0.00 C ATOM 954 O TYR A 60 8.405 7.351 7.913 1.00 0.00 O ATOM 955 CB TYR A 60 10.203 4.850 7.028 1.00 0.00 C ATOM 956 CG TYR A 60 11.573 4.187 7.047 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.699 4.879 7.535 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.712 2.854 6.613 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.949 4.236 7.621 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.958 2.202 6.695 1.00 0.00 C ATOM 961 CZ TYR A 60 14.081 2.891 7.209 1.00 0.00 C ATOM 962 OH TYR A 60 15.287 2.265 7.310 1.00 0.00 O ATOM 0 H TYR A 60 9.036 3.653 9.252 1.00 0.00 H new ATOM 0 HA TYR A 60 10.402 6.202 8.775 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.467 4.119 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.214 5.651 6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.603 5.909 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.857 2.328 6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.806 4.771 8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.055 1.178 6.366 1.00 0.00 H new ATOM 0 HH TYR A 60 15.206 1.344 6.985 1.00 0.00 H new ATOM 972 N TRP A 61 7.261 5.449 8.294 1.00 0.00 N ATOM 973 CA TRP A 61 5.961 5.994 7.867 1.00 0.00 C ATOM 974 C TRP A 61 4.815 5.717 8.853 1.00 0.00 C ATOM 975 O TRP A 61 4.044 6.627 9.150 1.00 0.00 O ATOM 976 CB TRP A 61 5.641 5.435 6.475 1.00 0.00 C ATOM 977 CG TRP A 61 6.696 5.532 5.416 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.304 4.475 4.830 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.219 6.716 4.740 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.202 4.920 3.880 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.164 6.294 3.754 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.953 8.101 4.818 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.804 7.197 2.891 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.572 9.014 3.944 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.499 8.567 2.983 1.00 0.00 C ATOM 0 H TRP A 61 7.212 4.508 8.686 1.00 0.00 H new ATOM 0 HA TRP A 61 6.046 7.080 7.839 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.380 4.383 6.590 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.751 5.946 6.107 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.115 3.439 5.069 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.816 4.310 3.340 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.261 8.466 5.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.522 6.844 2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.334 10.065 4.011 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.974 9.274 2.319 1.00 0.00 H new ATOM 996 N CYS A 62 4.721 4.501 9.404 1.00 0.00 N ATOM 997 CA CYS A 62 3.840 4.177 10.539 1.00 0.00 C ATOM 998 C CYS A 62 4.643 3.961 11.833 1.00 0.00 C ATOM 999 O CYS A 62 5.864 3.864 11.809 1.00 0.00 O ATOM 1000 CB CYS A 62 2.972 2.956 10.213 1.00 0.00 C ATOM 1001 SG CYS A 62 3.854 1.539 9.517 1.00 0.00 S ATOM 0 H CYS A 62 5.261 3.702 9.072 1.00 0.00 H new ATOM 0 HA CYS A 62 3.181 5.029 10.708 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.468 2.636 11.125 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.196 3.260 9.510 1.00 0.00 H new ATOM 0 HG CYS A 62 3.013 0.575 9.288 1.00 0.00 H new ATOM 1006 N SER A 63 3.965 3.915 12.977 1.00 0.00 N ATOM 1007 CA SER A 63 4.573 3.723 14.302 1.00 0.00 C ATOM 1008 C SER A 63 4.066 2.457 15.005 1.00 0.00 C ATOM 1009 O SER A 63 2.872 2.161 14.973 1.00 0.00 O ATOM 1010 CB SER A 63 4.259 4.935 15.178 1.00 0.00 C ATOM 1011 OG SER A 63 5.319 5.151 16.095 1.00 0.00 O ATOM 0 H SER A 63 2.950 4.012 13.015 1.00 0.00 H new ATOM 0 HA SER A 63 5.647 3.611 14.154 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.118 5.819 14.556 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.326 4.773 15.718 1.00 0.00 H new ATOM 0 HG SER A 63 5.115 5.930 16.654 1.00 0.00 H new ATOM 1017 N LYS A 64 4.967 1.705 15.645 1.00 0.00 N ATOM 1018 CA LYS A 64 4.673 0.386 16.248 1.00 0.00 C ATOM 1019 C LYS A 64 4.229 0.409 17.724 1.00 0.00 C ATOM 1020 O LYS A 64 3.829 -0.628 18.261 1.00 0.00 O ATOM 1021 CB LYS A 64 5.870 -0.557 16.067 1.00 0.00 C ATOM 1022 CG LYS A 64 7.163 0.023 16.652 1.00 0.00 C ATOM 1023 CD LYS A 64 8.090 -1.086 17.153 1.00 0.00 C ATOM 1024 CE LYS A 64 9.405 -0.451 17.604 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.398 -0.383 16.500 1.00 0.00 N ATOM 0 H LYS A 64 5.938 1.993 15.765 1.00 0.00 H new ATOM 0 HA LYS A 64 3.803 0.019 15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.653 -1.511 16.547 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.013 -0.759 15.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.676 0.614 15.893 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.923 0.698 17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.626 -1.623 17.980 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.272 -1.814 16.362 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.212 0.554 17.980 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.821 -1.027 18.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.929 0.509 16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.057 -1.184 16.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.904 -0.426 15.586 1.00 0.00 H new ATOM 1039 N GLY A 65 4.324 1.564 18.391 1.00 0.00 N ATOM 1040 CA GLY A 65 3.956 1.735 19.804 1.00 0.00 C ATOM 1041 C GLY A 65 2.439 1.794 20.013 1.00 0.00 C ATOM 1042 O GLY A 65 1.664 1.465 19.115 1.00 0.00 O ATOM 0 H GLY A 65 4.665 2.422 17.958 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.368 0.910 20.386 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.408 2.651 20.185 1.00 0.00 H new ATOM 1046 N ALA A 66 2.002 2.228 21.198 1.00 0.00 N ATOM 1047 CA ALA A 66 0.580 2.325 21.564 1.00 0.00 C ATOM 1048 C ALA A 66 -0.162 3.523 20.924 1.00 0.00 C ATOM 1049 O ALA A 66 -1.378 3.650 21.076 1.00 0.00 O ATOM 1050 CB ALA A 66 0.489 2.348 23.096 1.00 0.00 C ATOM 0 H ALA A 66 2.632 2.527 21.943 1.00 0.00 H new ATOM 0 HA ALA A 66 0.065 1.454 21.159 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.556 2.420 23.397 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.921 1.432 23.500 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.037 3.208 23.480 1.00 0.00 H new ATOM 1056 N SER A 67 0.546 4.376 20.182 1.00 0.00 N ATOM 1057 CA SER A 67 0.046 5.624 19.586 1.00 0.00 C ATOM 1058 C SER A 67 0.710 5.888 18.217 1.00 0.00 C ATOM 1059 O SER A 67 1.853 5.459 18.006 1.00 0.00 O ATOM 1060 CB SER A 67 0.343 6.811 20.522 1.00 0.00 C ATOM 1061 OG SER A 67 -0.376 6.719 21.748 1.00 0.00 O ATOM 0 H SER A 67 1.530 4.211 19.968 1.00 0.00 H new ATOM 0 HA SER A 67 -1.030 5.520 19.445 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.412 6.849 20.731 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.084 7.743 20.019 1.00 0.00 H new ATOM 0 HG SER A 67 -0.159 7.489 22.313 1.00 0.00 H new ATOM 1067 N PRO A 68 0.036 6.606 17.292 1.00 0.00 N ATOM 1068 CA PRO A 68 0.641 7.089 16.051 1.00 0.00 C ATOM 1069 C PRO A 68 1.672 8.197 16.343 1.00 0.00 C ATOM 1070 O PRO A 68 1.651 8.807 17.414 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.535 7.607 15.219 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.520 8.106 16.273 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.338 7.090 17.399 1.00 0.00 C ATOM 0 HA PRO A 68 1.190 6.310 15.522 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.229 8.407 14.544 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.970 6.819 14.603 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.287 9.120 16.599 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.544 8.119 15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.514 7.550 18.371 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.049 6.269 17.302 1.00 0.00 H new ATOM 1081 N GLY A 69 2.575 8.468 15.389 1.00 0.00 N ATOM 1082 CA GLY A 69 3.659 9.444 15.588 1.00 0.00 C ATOM 1083 C GLY A 69 4.783 9.336 14.564 1.00 0.00 C ATOM 1084 O GLY A 69 5.881 8.881 14.881 1.00 0.00 O ATOM 0 H GLY A 69 2.577 8.025 14.470 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.241 10.450 15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.076 9.311 16.586 1.00 0.00 H new ATOM 1088 N LYS A 70 4.486 9.765 13.336 1.00 0.00 N ATOM 1089 CA LYS A 70 5.367 9.774 12.154 1.00 0.00 C ATOM 1090 C LYS A 70 4.951 10.888 11.174 1.00 0.00 C ATOM 1091 O LYS A 70 3.959 11.585 11.396 1.00 0.00 O ATOM 1092 CB LYS A 70 5.303 8.398 11.446 1.00 0.00 C ATOM 1093 CG LYS A 70 5.949 7.218 12.173 1.00 0.00 C ATOM 1094 CD LYS A 70 7.465 7.332 12.375 1.00 0.00 C ATOM 1095 CE LYS A 70 8.030 6.147 13.173 1.00 0.00 C ATOM 1096 NZ LYS A 70 7.706 6.231 14.624 1.00 0.00 N ATOM 0 H LYS A 70 3.563 10.142 13.121 1.00 0.00 H new ATOM 0 HA LYS A 70 6.389 9.967 12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.255 8.155 11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.777 8.496 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.475 7.108 13.148 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.740 6.307 11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.957 7.383 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.692 8.262 12.897 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.631 5.217 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.112 6.111 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.451 5.757 15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.647 7.229 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.794 5.765 14.804 1.00 0.00 H new ATOM 1110 N ASP A 71 5.649 10.998 10.040 1.00 0.00 N ATOM 1111 CA ASP A 71 5.324 11.933 8.948 1.00 0.00 C ATOM 1112 C ASP A 71 3.930 11.689 8.328 1.00 0.00 C ATOM 1113 O ASP A 71 3.297 12.622 7.833 1.00 0.00 O ATOM 1114 CB ASP A 71 6.423 11.846 7.878 1.00 0.00 C ATOM 1115 CG ASP A 71 6.283 12.939 6.803 1.00 0.00 C ATOM 1116 OD1 ASP A 71 6.488 14.131 7.136 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.003 12.601 5.629 1.00 0.00 O ATOM 0 H ASP A 71 6.474 10.430 9.847 1.00 0.00 H new ATOM 0 HA ASP A 71 5.284 12.937 9.370 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.399 11.933 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.387 10.866 7.403 1.00 0.00 H new ATOM 1122 N CYS A 72 3.421 10.452 8.415 1.00 0.00 N ATOM 1123 CA CYS A 72 2.068 10.065 7.983 1.00 0.00 C ATOM 1124 C CYS A 72 1.048 9.968 9.137 1.00 0.00 C ATOM 1125 O CYS A 72 -0.128 9.712 8.883 1.00 0.00 O ATOM 1126 CB CYS A 72 2.153 8.749 7.201 1.00 0.00 C ATOM 1127 SG CYS A 72 3.386 8.742 5.868 1.00 0.00 S ATOM 0 H CYS A 72 3.953 9.671 8.798 1.00 0.00 H new ATOM 0 HA CYS A 72 1.689 10.860 7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.384 7.942 7.897 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.174 8.531 6.774 1.00 0.00 H new ATOM 0 HG CYS A 72 4.472 8.162 6.285 1.00 0.00 H new ATOM 1132 N ASN A 73 1.480 10.165 10.393 1.00 0.00 N ATOM 1133 CA ASN A 73 0.640 10.259 11.596 1.00 0.00 C ATOM 1134 C ASN A 73 -0.331 9.066 11.756 1.00 0.00 C ATOM 1135 O ASN A 73 -1.548 9.233 11.859 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.045 11.640 11.639 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.723 11.929 12.980 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.340 11.415 14.026 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.747 12.765 12.989 1.00 0.00 N ATOM 0 H ASN A 73 2.472 10.268 10.606 1.00 0.00 H new ATOM 0 HA ASN A 73 1.280 10.182 12.475 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.696 12.414 11.439 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.788 11.696 10.843 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.219 12.983 13.866 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.065 13.192 12.119 1.00 0.00 H new ATOM 1146 N VAL A 74 0.220 7.846 11.742 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.540 6.587 11.712 1.00 0.00 C ATOM 1148 C VAL A 74 0.220 5.453 12.412 1.00 0.00 C ATOM 1149 O VAL A 74 1.450 5.418 12.422 1.00 0.00 O ATOM 1150 CB VAL A 74 -0.936 6.242 10.255 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.269 5.864 9.377 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -1.988 5.131 10.213 1.00 0.00 C ATOM 0 H VAL A 74 1.230 7.702 11.751 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.463 6.716 12.278 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.364 7.154 9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.074 5.633 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.969 6.699 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.767 4.991 9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.245 4.912 9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.588 4.234 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.881 5.455 10.747 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.524 4.540 13.033 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.023 3.407 13.817 1.00 0.00 C ATOM 1164 C LYS A 75 -0.053 2.107 12.989 1.00 0.00 C ATOM 1165 O LYS A 75 -1.054 1.822 12.332 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.912 3.321 15.071 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.288 2.538 16.230 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.177 2.536 17.487 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.470 1.716 17.362 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.667 2.546 17.061 1.00 0.00 N ATOM 0 H LYS A 75 -1.543 4.569 13.003 1.00 0.00 H new ATOM 0 HA LYS A 75 1.019 3.547 14.103 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.140 4.331 15.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.859 2.854 14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.108 1.510 15.915 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.682 2.970 16.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.597 2.148 18.324 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.439 3.566 17.731 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.345 0.972 16.575 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.638 1.172 18.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.521 1.954 17.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.741 3.314 17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.577 2.951 16.107 1.00 0.00 H new ATOM 1184 N CYS A 76 1.014 1.302 13.028 1.00 0.00 N ATOM 1185 CA CYS A 76 1.146 0.013 12.314 1.00 0.00 C ATOM 1186 C CYS A 76 -0.066 -0.915 12.500 1.00 0.00 C ATOM 1187 O CYS A 76 -0.515 -1.560 11.556 1.00 0.00 O ATOM 1188 CB CYS A 76 2.404 -0.702 12.822 1.00 0.00 C ATOM 1189 SG CYS A 76 3.950 0.196 12.592 1.00 0.00 S ATOM 0 H CYS A 76 1.843 1.532 13.576 1.00 0.00 H new ATOM 0 HA CYS A 76 1.211 0.239 11.250 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.279 -0.910 13.885 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.484 -1.664 12.316 1.00 0.00 H new ATOM 0 HG CYS A 76 4.092 0.502 11.336 1.00 0.00 H new ATOM 1194 N SER A 77 -0.644 -0.948 13.698 1.00 0.00 N ATOM 1195 CA SER A 77 -1.789 -1.758 14.079 1.00 0.00 C ATOM 1196 C SER A 77 -3.124 -1.291 13.465 1.00 0.00 C ATOM 1197 O SER A 77 -4.015 -2.117 13.263 1.00 0.00 O ATOM 1198 CB SER A 77 -1.855 -1.763 15.617 1.00 0.00 C ATOM 1199 OG SER A 77 -0.850 -0.981 16.266 1.00 0.00 O ATOM 0 H SER A 77 -0.303 -0.376 14.471 1.00 0.00 H new ATOM 0 HA SER A 77 -1.647 -2.763 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.834 -1.397 15.925 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.775 -2.793 15.966 1.00 0.00 H new ATOM 0 HG SER A 77 -0.967 -1.039 17.237 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.265 -0.009 13.091 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.435 0.498 12.358 1.00 0.00 C ATOM 1207 C ASP A 78 -4.369 0.170 10.856 1.00 0.00 C ATOM 1208 O ASP A 78 -5.348 0.379 10.139 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.593 2.015 12.563 1.00 0.00 C ATOM 1210 CG ASP A 78 -4.865 2.422 14.018 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -5.657 1.748 14.717 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -4.282 3.434 14.471 1.00 0.00 O ATOM 0 H ASP A 78 -2.567 0.708 13.290 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.308 -0.010 12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.687 2.514 12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.411 2.373 11.937 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.242 -0.372 10.375 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.080 -0.835 8.993 1.00 0.00 C ATOM 1219 C LEU A 79 -3.546 -2.292 8.809 1.00 0.00 C ATOM 1220 O LEU A 79 -3.770 -2.720 7.677 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.616 -0.671 8.540 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.897 0.642 8.908 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.470 0.658 8.216 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.677 1.893 8.497 1.00 0.00 C ATOM 0 H LEU A 79 -2.406 -0.502 10.945 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.718 -0.213 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.041 -1.497 8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.586 -0.778 7.456 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.802 0.669 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.993 1.581 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.058 -0.195 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.332 0.600 7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.116 2.782 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.825 1.891 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.646 1.898 8.996 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.715 -3.039 9.910 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.103 -4.461 9.934 1.00 0.00 C ATOM 1238 C LEU A 80 -5.624 -4.682 10.075 1.00 0.00 C ATOM 1239 O LEU A 80 -6.076 -5.820 10.235 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.344 -5.180 11.069 1.00 0.00 C ATOM 1241 CG LEU A 80 -1.804 -5.087 11.030 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.245 -5.882 12.221 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.207 -5.612 9.716 1.00 0.00 C ATOM 0 H LEU A 80 -3.580 -2.656 10.846 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.828 -4.885 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.687 -4.774 12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.623 -6.233 11.053 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.523 -4.036 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.156 -5.830 12.214 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.622 -5.457 13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.559 -6.923 12.143 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.121 -5.521 9.748 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.480 -6.659 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.596 -5.029 8.881 1.00 0.00 H new ATOM 1255 N THR A 81 -6.413 -3.600 10.063 1.00 0.00 N ATOM 1256 CA THR A 81 -7.865 -3.600 10.300 1.00 0.00 C ATOM 1257 C THR A 81 -8.655 -3.919 9.026 1.00 0.00 C ATOM 1258 O THR A 81 -8.089 -4.250 7.986 1.00 0.00 O ATOM 1259 CB THR A 81 -8.251 -2.287 10.999 1.00 0.00 C ATOM 1260 OG1 THR A 81 -9.537 -2.424 11.563 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.238 -1.073 10.071 1.00 0.00 C ATOM 0 H THR A 81 -6.046 -2.666 9.882 1.00 0.00 H new ATOM 0 HA THR A 81 -8.141 -4.411 10.974 1.00 0.00 H new ATOM 0 HB THR A 81 -7.497 -2.105 11.765 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.788 -1.590 12.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.520 -0.183 10.633 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.237 -0.940 9.659 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.947 -1.229 9.258 1.00 0.00 H new ATOM 1269 N ASP A 82 -9.979 -3.852 9.114 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.939 -4.254 8.071 1.00 0.00 C ATOM 1271 C ASP A 82 -11.297 -3.107 7.097 1.00 0.00 C ATOM 1272 O ASP A 82 -12.319 -3.138 6.409 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.183 -4.856 8.746 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.868 -6.028 9.693 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -11.003 -6.874 9.360 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.499 -6.106 10.774 1.00 0.00 O ATOM 0 H ASP A 82 -10.443 -3.500 9.952 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.467 -5.010 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.695 -4.074 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.873 -5.199 7.975 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.437 -2.090 7.041 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.523 -0.891 6.204 1.00 0.00 C ATOM 1283 C ASP A 83 -9.108 -0.385 5.891 1.00 0.00 C ATOM 1284 O ASP A 83 -8.311 -0.110 6.790 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.370 0.185 6.904 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.156 1.594 6.323 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -11.089 1.748 5.081 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -11.016 2.531 7.141 1.00 0.00 O ATOM 0 H ASP A 83 -9.599 -2.081 7.623 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.015 -1.132 5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.424 -0.080 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.127 0.196 7.967 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.804 -0.259 4.598 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.449 -0.002 4.091 1.00 0.00 C ATOM 1295 C ILE A 84 -7.020 1.468 4.178 1.00 0.00 C ATOM 1296 O ILE A 84 -5.836 1.746 3.990 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.304 -0.534 2.635 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.996 0.385 1.606 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.854 -1.964 2.511 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.756 0.030 0.136 1.00 0.00 C ATOM 0 H ILE A 84 -9.503 -0.334 3.859 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.772 -0.547 4.749 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.237 -0.542 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.069 0.368 1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.659 1.408 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.740 -2.310 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.303 -2.625 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.910 -1.972 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.287 0.738 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.689 0.077 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.121 -0.978 -0.059 1.00 0.00 H new ATOM 1312 N THR A 85 -7.941 2.412 4.433 1.00 0.00 N ATOM 1313 CA THR A 85 -7.675 3.854 4.258 1.00 0.00 C ATOM 1314 C THR A 85 -6.583 4.423 5.157 1.00 0.00 C ATOM 1315 O THR A 85 -5.877 5.338 4.742 1.00 0.00 O ATOM 1316 CB THR A 85 -8.977 4.664 4.285 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.835 5.766 3.419 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.375 5.183 5.662 1.00 0.00 C ATOM 0 H THR A 85 -8.883 2.203 4.763 1.00 0.00 H new ATOM 0 HA THR A 85 -7.245 3.957 3.262 1.00 0.00 H new ATOM 0 HB THR A 85 -9.768 3.981 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.681 6.258 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.307 5.743 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.513 4.342 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.590 5.835 6.046 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.338 3.841 6.336 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.187 4.230 7.169 1.00 0.00 C ATOM 1328 C LYS A 86 -3.841 3.923 6.480 1.00 0.00 C ATOM 1329 O LYS A 86 -2.886 4.689 6.617 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.271 3.562 8.555 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.212 4.285 9.537 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.715 4.038 9.353 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.096 2.561 9.530 1.00 0.00 C ATOM 1334 NZ LYS A 86 -9.570 2.377 9.537 1.00 0.00 N ATOM 0 H LYS A 86 -6.916 3.102 6.736 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.231 5.311 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.610 2.533 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.272 3.519 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.939 3.990 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.030 5.357 9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.269 4.641 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.015 4.370 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.658 1.972 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.677 2.185 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.800 1.432 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.007 3.101 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.936 2.469 8.568 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.776 2.847 5.687 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.611 2.504 4.872 1.00 0.00 C ATOM 1350 C ALA A 87 -2.626 3.258 3.535 1.00 0.00 C ATOM 1351 O ALA A 87 -1.593 3.762 3.108 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.574 0.979 4.692 1.00 0.00 C ATOM 0 H ALA A 87 -4.544 2.182 5.594 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.696 2.816 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.710 0.705 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.499 0.499 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.486 0.649 4.194 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.796 3.404 2.907 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.941 4.051 1.605 1.00 0.00 C ATOM 1360 C ALA A 88 -3.626 5.555 1.638 1.00 0.00 C ATOM 1361 O ALA A 88 -2.901 6.046 0.780 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.345 3.757 1.069 1.00 0.00 C ATOM 0 H ALA A 88 -4.679 3.071 3.295 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.199 3.635 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.470 4.233 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.477 2.680 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.089 4.148 1.763 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.075 6.293 2.658 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.721 7.712 2.840 1.00 0.00 C ATOM 1370 C LYS A 89 -2.222 7.910 3.125 1.00 0.00 C ATOM 1371 O LYS A 89 -1.610 8.866 2.643 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.562 8.292 3.984 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.050 8.427 3.623 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.858 8.888 4.846 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.369 8.946 4.572 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.737 10.004 3.593 1.00 0.00 N ATOM 0 H LYS A 89 -4.694 5.928 3.382 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.935 8.237 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.463 7.653 4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.169 9.271 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.170 9.142 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.432 7.471 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.670 8.209 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.511 9.874 5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.703 7.979 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.897 9.125 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.767 9.998 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.445 10.933 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.257 9.822 2.688 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.608 6.975 3.855 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.160 6.939 4.089 1.00 0.00 C ATOM 1392 C CYS A 90 0.605 6.617 2.792 1.00 0.00 C ATOM 1393 O CYS A 90 1.616 7.252 2.495 1.00 0.00 O ATOM 1394 CB CYS A 90 0.111 5.943 5.224 1.00 0.00 C ATOM 1395 SG CYS A 90 1.844 5.714 5.677 1.00 0.00 S ATOM 0 H CYS A 90 -2.109 6.210 4.307 1.00 0.00 H new ATOM 0 HA CYS A 90 0.208 7.918 4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.435 6.272 6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.300 4.975 4.938 1.00 0.00 H new ATOM 0 HG CYS A 90 2.476 6.844 5.562 1.00 0.00 H new ATOM 1400 N ALA A 91 0.062 5.737 1.946 1.00 0.00 N ATOM 1401 CA ALA A 91 0.568 5.480 0.602 1.00 0.00 C ATOM 1402 C ALA A 91 0.523 6.731 -0.294 1.00 0.00 C ATOM 1403 O ALA A 91 1.506 6.988 -0.983 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.190 4.289 0.010 1.00 0.00 C ATOM 0 H ALA A 91 -0.756 5.175 2.184 1.00 0.00 H new ATOM 0 HA ALA A 91 1.626 5.224 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.179 4.086 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.035 3.411 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.254 4.520 -0.034 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.520 7.578 -0.232 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.501 8.881 -0.921 1.00 0.00 C ATOM 1412 C LYS A 92 0.602 9.815 -0.387 1.00 0.00 C ATOM 1413 O LYS A 92 1.309 10.447 -1.171 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.863 9.596 -0.844 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.112 8.781 -1.209 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.074 7.988 -2.525 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.699 8.802 -3.776 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.676 9.883 -4.078 1.00 0.00 N ATOM 0 H LYS A 92 -1.379 7.386 0.283 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.282 8.656 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.990 9.970 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.824 10.465 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.307 8.080 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.961 9.464 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.361 7.171 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.053 7.537 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.711 9.241 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.631 8.131 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.314 10.471 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.585 9.461 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.813 10.473 -3.233 1.00 0.00 H new ATOM 1432 N LYS A 93 0.798 9.877 0.937 1.00 0.00 N ATOM 1433 CA LYS A 93 1.863 10.675 1.575 1.00 0.00 C ATOM 1434 C LYS A 93 3.279 10.199 1.187 1.00 0.00 C ATOM 1435 O LYS A 93 4.200 11.011 1.109 1.00 0.00 O ATOM 1436 CB LYS A 93 1.639 10.670 3.102 1.00 0.00 C ATOM 1437 CG LYS A 93 2.602 11.550 3.924 1.00 0.00 C ATOM 1438 CD LYS A 93 2.529 13.063 3.666 1.00 0.00 C ATOM 1439 CE LYS A 93 1.161 13.640 4.062 1.00 0.00 C ATOM 1440 NZ LYS A 93 1.158 15.128 4.037 1.00 0.00 N ATOM 0 H LYS A 93 0.217 9.371 1.605 1.00 0.00 H new ATOM 0 HA LYS A 93 1.802 11.699 1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.618 10.997 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.721 9.643 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.408 11.374 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.621 11.218 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.314 13.567 4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.717 13.262 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.397 13.264 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.896 13.293 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.217 15.478 4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.869 15.488 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.386 15.460 3.078 1.00 0.00 H new ATOM 1454 N ILE A 94 3.447 8.914 0.862 1.00 0.00 N ATOM 1455 CA ILE A 94 4.683 8.374 0.269 1.00 0.00 C ATOM 1456 C ILE A 94 4.783 8.712 -1.226 1.00 0.00 C ATOM 1457 O ILE A 94 5.829 9.176 -1.673 1.00 0.00 O ATOM 1458 CB ILE A 94 4.787 6.853 0.516 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.873 6.528 2.025 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.037 6.331 -0.211 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.593 5.055 2.355 1.00 0.00 C ATOM 0 H ILE A 94 2.724 8.209 1.003 1.00 0.00 H new ATOM 0 HA ILE A 94 5.530 8.852 0.762 1.00 0.00 H new ATOM 0 HB ILE A 94 3.890 6.366 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.867 6.790 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.161 7.154 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.130 5.257 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.947 6.531 -1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.922 6.834 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.671 4.902 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.588 4.792 2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.320 4.423 1.845 1.00 0.00 H new ATOM 1473 N TYR A 95 3.710 8.537 -2.000 1.00 0.00 N ATOM 1474 CA TYR A 95 3.658 8.830 -3.443 1.00 0.00 C ATOM 1475 C TYR A 95 4.019 10.289 -3.785 1.00 0.00 C ATOM 1476 O TYR A 95 4.615 10.558 -4.829 1.00 0.00 O ATOM 1477 CB TYR A 95 2.286 8.383 -3.988 1.00 0.00 C ATOM 1478 CG TYR A 95 1.681 9.183 -5.129 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.067 10.424 -4.869 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.677 8.667 -6.440 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.488 11.165 -5.916 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.107 9.403 -7.494 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.511 10.660 -7.235 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.047 11.381 -8.248 1.00 0.00 O ATOM 0 H TYR A 95 2.827 8.178 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 95 4.435 8.257 -3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.378 7.348 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.577 8.393 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.040 10.809 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.115 7.700 -6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.026 12.120 -5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.124 9.009 -8.500 1.00 0.00 H new ATOM 0 HH TYR A 95 0.055 10.893 -9.092 1.00 0.00 H new ATOM 1494 N LYS A 96 3.758 11.215 -2.858 1.00 0.00 N ATOM 1495 CA LYS A 96 4.211 12.614 -2.888 1.00 0.00 C ATOM 1496 C LYS A 96 5.744 12.798 -2.930 1.00 0.00 C ATOM 1497 O LYS A 96 6.221 13.842 -3.384 1.00 0.00 O ATOM 1498 CB LYS A 96 3.631 13.295 -1.638 1.00 0.00 C ATOM 1499 CG LYS A 96 2.165 13.707 -1.852 1.00 0.00 C ATOM 1500 CD LYS A 96 1.592 14.426 -0.623 1.00 0.00 C ATOM 1501 CE LYS A 96 0.107 14.787 -0.798 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.109 15.861 -1.807 1.00 0.00 N ATOM 0 H LYS A 96 3.202 11.004 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 96 3.857 13.062 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.699 12.617 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.226 14.175 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.094 14.360 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.566 12.822 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.708 13.790 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.165 15.334 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.446 13.897 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.300 15.108 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.126 16.065 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.395 16.721 -1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.253 15.548 -2.730 1.00 0.00 H new ATOM 1516 N ARG A 97 6.511 11.799 -2.476 1.00 0.00 N ATOM 1517 CA ARG A 97 7.983 11.756 -2.497 1.00 0.00 C ATOM 1518 C ARG A 97 8.498 10.768 -3.556 1.00 0.00 C ATOM 1519 O ARG A 97 9.422 11.088 -4.301 1.00 0.00 O ATOM 1520 CB ARG A 97 8.520 11.361 -1.106 1.00 0.00 C ATOM 1521 CG ARG A 97 8.001 12.208 0.070 1.00 0.00 C ATOM 1522 CD ARG A 97 8.305 13.704 -0.075 1.00 0.00 C ATOM 1523 NE ARG A 97 7.837 14.453 1.105 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.868 15.771 1.265 1.00 0.00 C ATOM 1525 NH1 ARG A 97 8.336 16.579 0.335 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.421 16.302 2.384 1.00 0.00 N ATOM 0 H ARG A 97 6.106 10.958 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 97 8.345 12.751 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.265 10.318 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.608 11.424 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.923 12.071 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.446 11.843 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 97 9.378 13.851 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.822 14.092 -0.972 1.00 0.00 H new ATOM 0 HE ARG A 97 7.451 13.905 1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.690 16.197 -0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.344 17.587 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.053 15.702 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.442 17.314 2.513 1.00 0.00 H new ATOM 1540 N HIS A 98 7.864 9.595 -3.654 1.00 0.00 N ATOM 1541 CA HIS A 98 8.219 8.485 -4.547 1.00 0.00 C ATOM 1542 C HIS A 98 6.952 7.714 -4.982 1.00 0.00 C ATOM 1543 O HIS A 98 6.466 6.846 -4.254 1.00 0.00 O ATOM 1544 CB HIS A 98 9.205 7.551 -3.819 1.00 0.00 C ATOM 1545 CG HIS A 98 10.511 8.181 -3.423 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.578 8.451 -4.284 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.848 8.568 -2.158 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.530 9.003 -3.512 1.00 0.00 C ATOM 1549 NE2 HIS A 98 12.121 9.087 -2.232 1.00 0.00 N ATOM 0 H HIS A 98 7.046 9.382 -3.083 1.00 0.00 H new ATOM 0 HA HIS A 98 8.693 8.878 -5.446 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.720 7.165 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.413 6.696 -4.462 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.236 8.484 -1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.493 9.335 -3.870 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.660 9.468 -1.454 1.00 0.00 H new ATOM 1557 N ARG A 99 6.418 8.025 -6.173 1.00 0.00 N ATOM 1558 CA ARG A 99 5.111 7.545 -6.657 1.00 0.00 C ATOM 1559 C ARG A 99 4.911 6.021 -6.614 1.00 0.00 C ATOM 1560 O ARG A 99 3.836 5.567 -6.226 1.00 0.00 O ATOM 1561 CB ARG A 99 4.800 8.123 -8.030 1.00 0.00 C ATOM 1562 CG ARG A 99 5.817 7.810 -9.128 1.00 0.00 C ATOM 1563 CD ARG A 99 5.249 8.468 -10.375 1.00 0.00 C ATOM 1564 NE ARG A 99 6.088 8.219 -11.560 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.807 8.570 -12.810 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.701 9.213 -13.124 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.650 8.274 -13.775 1.00 0.00 N ATOM 0 H ARG A 99 6.892 8.631 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 99 4.383 7.921 -5.938 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.825 7.753 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.715 9.206 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.801 8.209 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.934 6.735 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.243 8.091 -10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.162 9.542 -10.211 1.00 0.00 H new ATOM 0 HE ARG A 99 6.970 7.730 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.029 9.457 -12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.517 9.467 -14.094 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.515 7.777 -13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.439 8.541 -14.736 1.00 0.00 H new ATOM 1581 N PHE A 100 5.957 5.254 -6.941 1.00 0.00 N ATOM 1582 CA PHE A 100 5.973 3.784 -6.884 1.00 0.00 C ATOM 1583 C PHE A 100 7.329 3.198 -6.437 1.00 0.00 C ATOM 1584 O PHE A 100 7.386 2.049 -6.006 1.00 0.00 O ATOM 1585 CB PHE A 100 5.602 3.209 -8.257 1.00 0.00 C ATOM 1586 CG PHE A 100 4.286 3.674 -8.844 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.078 3.299 -8.231 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.264 4.483 -9.998 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.855 3.748 -8.750 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.038 4.938 -10.514 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.834 4.572 -9.887 1.00 0.00 C ATOM 0 H PHE A 100 6.842 5.648 -7.262 1.00 0.00 H new ATOM 0 HA PHE A 100 5.240 3.497 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.397 3.459 -8.959 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.577 2.122 -8.178 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.092 2.663 -7.358 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.189 4.753 -10.486 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.929 3.460 -8.275 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.021 5.568 -11.391 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.892 4.925 -10.280 1.00 0.00 H new ATOM 1601 N ASP A 101 8.419 3.976 -6.507 1.00 0.00 N ATOM 1602 CA ASP A 101 9.796 3.511 -6.256 1.00 0.00 C ATOM 1603 C ASP A 101 10.092 3.185 -4.776 1.00 0.00 C ATOM 1604 O ASP A 101 11.065 2.491 -4.478 1.00 0.00 O ATOM 1605 CB ASP A 101 10.766 4.572 -6.802 1.00 0.00 C ATOM 1606 CG ASP A 101 12.237 4.126 -6.747 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.598 3.166 -7.467 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.034 4.751 -6.010 1.00 0.00 O ATOM 0 H ASP A 101 8.370 4.967 -6.744 1.00 0.00 H new ATOM 0 HA ASP A 101 9.929 2.561 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.500 4.803 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.649 5.492 -6.229 1.00 0.00 H new ATOM 1613 N ALA A 102 9.228 3.626 -3.851 1.00 0.00 N ATOM 1614 CA ALA A 102 9.285 3.266 -2.429 1.00 0.00 C ATOM 1615 C ALA A 102 8.910 1.794 -2.145 1.00 0.00 C ATOM 1616 O ALA A 102 9.119 1.317 -1.026 1.00 0.00 O ATOM 1617 CB ALA A 102 8.381 4.230 -1.652 1.00 0.00 C ATOM 0 H ALA A 102 8.456 4.254 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 102 10.320 3.359 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.409 3.980 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.733 5.252 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.358 4.144 -2.018 1.00 0.00 H new ATOM 1623 N TRP A 103 8.393 1.069 -3.145 1.00 0.00 N ATOM 1624 CA TRP A 103 7.968 -0.328 -3.046 1.00 0.00 C ATOM 1625 C TRP A 103 8.742 -1.220 -4.015 1.00 0.00 C ATOM 1626 O TRP A 103 8.754 -1.007 -5.230 1.00 0.00 O ATOM 1627 CB TRP A 103 6.461 -0.405 -3.301 1.00 0.00 C ATOM 1628 CG TRP A 103 5.615 0.270 -2.268 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.225 -0.292 -1.106 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.037 1.615 -2.271 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.430 0.588 -0.408 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.253 1.773 -1.087 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.083 2.712 -3.156 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.516 2.937 -0.821 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.356 3.890 -2.898 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.561 3.997 -1.743 1.00 0.00 C ATOM 0 H TRP A 103 8.255 1.456 -4.079 1.00 0.00 H new ATOM 0 HA TRP A 103 8.185 -0.698 -2.044 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.248 0.040 -4.273 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.170 -1.454 -3.360 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.496 -1.283 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.020 0.386 0.504 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.687 2.647 -4.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 2.923 3.017 0.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.409 4.716 -3.591 1.00 0.00 H new ATOM 0 HH2 TRP A 103 2.985 4.893 -1.564 1.00 0.00 H new ATOM 1647 N TYR A 104 9.397 -2.239 -3.458 1.00 0.00 N ATOM 1648 CA TYR A 104 10.323 -3.092 -4.196 1.00 0.00 C ATOM 1649 C TYR A 104 9.632 -4.030 -5.198 1.00 0.00 C ATOM 1650 O TYR A 104 10.182 -4.297 -6.266 1.00 0.00 O ATOM 1651 CB TYR A 104 11.176 -3.879 -3.198 1.00 0.00 C ATOM 1652 CG TYR A 104 12.416 -4.444 -3.850 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.507 -3.591 -4.089 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.454 -5.785 -4.277 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.652 -4.079 -4.747 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.595 -6.280 -4.937 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.700 -5.428 -5.173 1.00 0.00 C ATOM 1658 OH TYR A 104 15.806 -5.896 -5.815 1.00 0.00 O ATOM 0 H TYR A 104 9.298 -2.496 -2.476 1.00 0.00 H new ATOM 0 HA TYR A 104 10.955 -2.444 -4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.463 -3.229 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.585 -4.691 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.467 -2.561 -3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.609 -6.433 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.493 -3.425 -4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.627 -7.309 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 104 15.679 -6.841 -6.039 1.00 0.00 H new ATOM 1668 N GLY A 105 8.405 -4.475 -4.904 1.00 0.00 N ATOM 1669 CA GLY A 105 7.627 -5.363 -5.772 1.00 0.00 C ATOM 1670 C GLY A 105 7.267 -4.715 -7.106 1.00 0.00 C ATOM 1671 O GLY A 105 7.337 -5.370 -8.145 1.00 0.00 O ATOM 0 H GLY A 105 7.918 -4.224 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.196 -6.274 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.712 -5.658 -5.257 1.00 0.00 H new ATOM 1675 N TRP A 106 6.966 -3.413 -7.109 1.00 0.00 N ATOM 1676 CA TRP A 106 6.659 -2.675 -8.334 1.00 0.00 C ATOM 1677 C TRP A 106 7.856 -2.603 -9.297 1.00 0.00 C ATOM 1678 O TRP A 106 7.717 -2.887 -10.489 1.00 0.00 O ATOM 1679 CB TRP A 106 6.109 -1.290 -7.982 1.00 0.00 C ATOM 1680 CG TRP A 106 5.931 -0.382 -9.158 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.825 -0.267 -9.927 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.913 0.530 -9.732 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.067 0.628 -10.955 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.343 1.151 -10.882 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.228 0.901 -9.381 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.058 2.070 -11.665 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.958 1.814 -10.161 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.378 2.398 -11.302 1.00 0.00 C ATOM 0 H TRP A 106 6.929 -2.844 -6.264 1.00 0.00 H new ATOM 0 HA TRP A 106 5.888 -3.223 -8.875 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.148 -1.410 -7.481 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.783 -0.815 -7.269 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.896 -0.793 -9.764 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.388 0.871 -11.676 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.681 0.476 -8.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.602 2.520 -12.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.970 2.069 -9.883 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.945 3.097 -11.899 1.00 0.00 H new ATOM 1699 N LYS A 107 9.052 -2.297 -8.789 1.00 0.00 N ATOM 1700 CA LYS A 107 10.291 -2.272 -9.587 1.00 0.00 C ATOM 1701 C LYS A 107 10.872 -3.673 -9.881 1.00 0.00 C ATOM 1702 O LYS A 107 11.739 -3.805 -10.746 1.00 0.00 O ATOM 1703 CB LYS A 107 11.302 -1.281 -8.973 1.00 0.00 C ATOM 1704 CG LYS A 107 11.656 -1.542 -7.499 1.00 0.00 C ATOM 1705 CD LYS A 107 12.440 -0.386 -6.863 1.00 0.00 C ATOM 1706 CE LYS A 107 13.791 -0.131 -7.544 1.00 0.00 C ATOM 1707 NZ LYS A 107 14.443 1.088 -7.002 1.00 0.00 N ATOM 0 H LYS A 107 9.194 -2.058 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 107 10.038 -1.899 -10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.219 -1.310 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.898 -0.272 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.739 -1.708 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.244 -2.457 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.839 0.522 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.607 -0.604 -5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.444 -0.992 -7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.645 -0.021 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.384 1.199 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.861 1.921 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.541 1.000 -5.970 1.00 0.00 H new ATOM 1721 N ASN A 108 10.349 -4.723 -9.236 1.00 0.00 N ATOM 1722 CA ASN A 108 10.708 -6.124 -9.484 1.00 0.00 C ATOM 1723 C ASN A 108 9.806 -6.821 -10.529 1.00 0.00 C ATOM 1724 O ASN A 108 10.310 -7.640 -11.299 1.00 0.00 O ATOM 1725 CB ASN A 108 10.680 -6.875 -8.143 1.00 0.00 C ATOM 1726 CG ASN A 108 11.099 -8.335 -8.287 1.00 0.00 C ATOM 1727 OD1 ASN A 108 12.258 -8.648 -8.536 1.00 0.00 O ATOM 1728 ND2 ASN A 108 10.172 -9.267 -8.139 1.00 0.00 N ATOM 0 H ASN A 108 9.644 -4.618 -8.506 1.00 0.00 H new ATOM 0 HA ASN A 108 11.708 -6.142 -9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.344 -6.377 -7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.675 -6.828 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.420 -10.252 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.209 -9.001 -7.932 1.00 0.00 H new ATOM 1735 N HIS A 109 8.499 -6.509 -10.586 1.00 0.00 N ATOM 1736 CA HIS A 109 7.526 -7.275 -11.395 1.00 0.00 C ATOM 1737 C HIS A 109 6.523 -6.447 -12.238 1.00 0.00 C ATOM 1738 O HIS A 109 6.130 -6.896 -13.316 1.00 0.00 O ATOM 1739 CB HIS A 109 6.840 -8.324 -10.487 1.00 0.00 C ATOM 1740 CG HIS A 109 5.359 -8.141 -10.276 1.00 0.00 C ATOM 1741 ND1 HIS A 109 4.361 -8.947 -10.831 1.00 0.00 N ATOM 1742 CD2 HIS A 109 4.773 -7.177 -9.512 1.00 0.00 C ATOM 1743 CE1 HIS A 109 3.199 -8.446 -10.380 1.00 0.00 C ATOM 1744 NE2 HIS A 109 3.415 -7.382 -9.588 1.00 0.00 N ATOM 0 H HIS A 109 8.087 -5.726 -10.078 1.00 0.00 H new ATOM 0 HA HIS A 109 8.100 -7.772 -12.177 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.007 -9.312 -10.915 1.00 0.00 H new ATOM 0 HB3 HIS A 109 7.331 -8.311 -9.514 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.277 -6.402 -8.954 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.224 -8.844 -10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 109 2.698 -6.824 -9.125 1.00 0.00 H new ATOM 1752 N CYS A 110 6.172 -5.215 -11.839 1.00 0.00 N ATOM 1753 CA CYS A 110 5.240 -4.358 -12.609 1.00 0.00 C ATOM 1754 C CYS A 110 5.865 -3.750 -13.880 1.00 0.00 C ATOM 1755 O CYS A 110 5.161 -3.152 -14.692 1.00 0.00 O ATOM 1756 CB CYS A 110 4.673 -3.245 -11.718 1.00 0.00 C ATOM 1757 SG CYS A 110 3.764 -3.805 -10.259 1.00 0.00 S ATOM 0 H CYS A 110 6.519 -4.782 -10.983 1.00 0.00 H new ATOM 0 HA CYS A 110 4.435 -5.013 -12.943 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.497 -2.611 -11.390 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.011 -2.623 -12.320 1.00 0.00 H new ATOM 0 HG CYS A 110 2.828 -4.631 -10.622 1.00 0.00 H new ATOM 1762 N GLN A 111 7.181 -3.906 -14.064 1.00 0.00 N ATOM 1763 CA GLN A 111 7.924 -3.394 -15.222 1.00 0.00 C ATOM 1764 C GLN A 111 7.732 -4.261 -16.482 1.00 0.00 C ATOM 1765 O GLN A 111 7.919 -3.764 -17.594 1.00 0.00 O ATOM 1766 CB GLN A 111 9.425 -3.298 -14.877 1.00 0.00 C ATOM 1767 CG GLN A 111 9.755 -2.555 -13.568 1.00 0.00 C ATOM 1768 CD GLN A 111 9.169 -1.143 -13.502 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.463 -0.275 -14.315 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.319 -0.856 -12.539 1.00 0.00 N ATOM 0 H GLN A 111 7.772 -4.403 -13.398 1.00 0.00 H new ATOM 0 HA GLN A 111 7.526 -2.405 -15.449 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.832 -4.307 -14.815 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.938 -2.798 -15.698 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.379 -3.135 -12.726 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.838 -2.496 -13.456 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.064 -1.568 -11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.915 0.078 -12.477 1.00 0.00 H new ATOM 1779 N GLY A 112 7.355 -5.540 -16.326 1.00 0.00 N ATOM 1780 CA GLY A 112 7.184 -6.491 -17.435 1.00 0.00 C ATOM 1781 C GLY A 112 5.770 -6.516 -18.019 1.00 0.00 C ATOM 1782 O GLY A 112 5.611 -6.685 -19.227 1.00 0.00 O ATOM 0 H GLY A 112 7.158 -5.948 -15.412 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.889 -6.240 -18.227 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.440 -7.491 -17.085 1.00 0.00 H new ATOM 1786 N SER A 113 4.747 -6.342 -17.180 1.00 0.00 N ATOM 1787 CA SER A 113 3.313 -6.375 -17.518 1.00 0.00 C ATOM 1788 C SER A 113 2.453 -5.906 -16.330 1.00 0.00 C ATOM 1789 O SER A 113 2.853 -6.047 -15.169 1.00 0.00 O ATOM 1790 CB SER A 113 2.872 -7.800 -17.908 1.00 0.00 C ATOM 1791 OG SER A 113 3.141 -8.100 -19.272 1.00 0.00 O ATOM 0 H SER A 113 4.901 -6.164 -16.188 1.00 0.00 H new ATOM 0 HA SER A 113 3.168 -5.701 -18.362 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.385 -8.522 -17.273 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.804 -7.911 -17.719 1.00 0.00 H new ATOM 0 HG SER A 113 4.004 -7.713 -19.528 1.00 0.00 H new ATOM 1797 N LEU A 114 1.256 -5.374 -16.616 1.00 0.00 N ATOM 1798 CA LEU A 114 0.233 -4.992 -15.639 1.00 0.00 C ATOM 1799 C LEU A 114 -1.089 -5.750 -15.892 1.00 0.00 C ATOM 1800 O LEU A 114 -1.389 -6.063 -17.051 1.00 0.00 O ATOM 1801 CB LEU A 114 0.000 -3.477 -15.758 1.00 0.00 C ATOM 1802 CG LEU A 114 1.204 -2.598 -15.361 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.900 -1.154 -15.762 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.496 -2.668 -13.857 1.00 0.00 C ATOM 0 H LEU A 114 0.964 -5.191 -17.576 1.00 0.00 H new ATOM 0 HA LEU A 114 0.574 -5.250 -14.637 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.275 -3.247 -16.787 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.851 -3.205 -15.133 1.00 0.00 H new ATOM 0 HG LEU A 114 2.089 -2.967 -15.879 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.741 -0.516 -15.489 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.739 -1.102 -16.839 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.003 -0.814 -15.244 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.351 -2.034 -13.623 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.625 -2.322 -13.301 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.720 -3.697 -13.577 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.914 -5.996 -14.854 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.234 -6.598 -14.992 1.00 0.00 C ATOM 1818 C PRO A 115 -4.216 -5.609 -15.624 1.00 0.00 C ATOM 1819 O PRO A 115 -4.075 -4.396 -15.471 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.661 -6.962 -13.570 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.987 -5.892 -12.717 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.673 -5.657 -13.461 1.00 0.00 C ATOM 0 HA PRO A 115 -3.218 -7.472 -15.643 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.745 -6.942 -13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.330 -7.963 -13.295 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.587 -4.984 -12.656 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.820 -6.233 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.354 -4.619 -13.365 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.877 -6.274 -13.045 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.227 -6.128 -16.320 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.359 -5.333 -16.802 1.00 0.00 C ATOM 1832 C ASP A 116 -7.375 -5.050 -15.676 1.00 0.00 C ATOM 1833 O ASP A 116 -7.588 -5.856 -14.767 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.018 -6.030 -18.006 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.185 -5.229 -18.616 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.154 -3.973 -18.584 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.143 -5.862 -19.115 1.00 0.00 O ATOM 0 H ASP A 116 -5.285 -7.116 -16.567 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.985 -4.364 -17.132 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.264 -6.201 -18.774 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.383 -7.009 -17.694 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.016 -3.887 -15.776 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.029 -3.352 -14.850 1.00 0.00 C ATOM 1844 C ILE A 117 -10.288 -2.845 -15.575 1.00 0.00 C ATOM 1845 O ILE A 117 -11.209 -2.348 -14.938 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.415 -2.223 -13.992 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.948 -1.060 -14.899 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.282 -2.761 -13.093 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.591 0.197 -14.119 1.00 0.00 C ATOM 0 H ILE A 117 -7.835 -3.249 -16.551 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.344 -4.174 -14.207 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.180 -1.831 -13.322 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.080 -1.382 -15.475 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.736 -0.825 -15.614 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.869 -1.945 -12.501 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.679 -3.528 -12.427 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.497 -3.191 -13.715 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.271 0.976 -14.811 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.464 0.541 -13.564 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.782 -0.024 -13.423 1.00 0.00 H new ATOM 1861 N SER A 118 -10.339 -2.935 -16.903 1.00 0.00 N ATOM 1862 CA SER A 118 -11.411 -2.368 -17.744 1.00 0.00 C ATOM 1863 C SER A 118 -12.804 -2.996 -17.512 1.00 0.00 C ATOM 1864 O SER A 118 -13.820 -2.446 -17.941 1.00 0.00 O ATOM 1865 CB SER A 118 -11.042 -2.492 -19.233 1.00 0.00 C ATOM 1866 OG SER A 118 -9.760 -1.952 -19.526 1.00 0.00 O ATOM 0 H SER A 118 -9.621 -3.415 -17.445 1.00 0.00 H new ATOM 0 HA SER A 118 -11.489 -1.322 -17.447 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.064 -3.543 -19.523 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.794 -1.980 -19.834 1.00 0.00 H new ATOM 0 HG SER A 118 -9.066 -2.580 -19.236 1.00 0.00 H new ATOM 1872 N SER A 119 -12.875 -4.131 -16.815 1.00 0.00 N ATOM 1873 CA SER A 119 -14.109 -4.797 -16.371 1.00 0.00 C ATOM 1874 C SER A 119 -14.618 -4.323 -14.992 1.00 0.00 C ATOM 1875 O SER A 119 -15.742 -4.661 -14.602 1.00 0.00 O ATOM 1876 CB SER A 119 -13.851 -6.310 -16.337 1.00 0.00 C ATOM 1877 OG SER A 119 -12.686 -6.628 -15.576 1.00 0.00 O ATOM 0 H SER A 119 -12.037 -4.638 -16.529 1.00 0.00 H new ATOM 0 HA SER A 119 -14.894 -4.535 -17.081 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.715 -6.817 -15.909 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.734 -6.683 -17.355 1.00 0.00 H new ATOM 0 HG SER A 119 -12.552 -7.599 -15.573 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.815 -3.544 -14.257 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.085 -3.066 -12.898 1.00 0.00 C ATOM 1885 C CYS A 120 -14.797 -1.696 -12.889 1.00 0.00 C ATOM 1886 O CYS A 120 -14.279 -0.727 -13.493 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.759 -3.016 -12.121 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.775 -4.542 -12.140 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.847 -1.576 -12.221 1.00 0.00 O ATOM 0 H CYS A 120 -12.917 -3.215 -14.612 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.770 -3.760 -12.411 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.151 -2.209 -12.529 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.976 -2.759 -11.084 1.00 0.00 H new ATOM 0 HG CYS A 120 -10.799 -4.440 -11.288 1.00 0.00 H new TER 1894 CYS A 120