USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 16 TYR OH : rot -58:sc= 0.683 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.72 K(o=-2,f=-2.9!) USER MOD Set 2.1: A 40 SER OG : rot 147:sc= 1.97 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 1.03 USER MOD Single : A 5 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.55) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 18 GLN : amide:sc= -2.53 K(o=-2.5,f=-1.9!) USER MOD Single : A 24 SER OG : rot -92:sc= -0.273 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.03 K(o=1,f=-0.026) USER MOD Single : A 35 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-0.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.00043) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 45 GLN : amide:sc= -0.0861 X(o=-0.086,f=0) USER MOD Single : A 46 SER OG : rot 87:sc= 1.23 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.594 X(o=-0.59,f=-0.58) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HE2:sc= -0.533! C(o=-0.53!,f=-4.3!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 62 ASN : amide:sc= -1.65! C(o=-1.7!,f=-14!) USER MOD Single : A 68 SER OG : rot 83:sc= 1.28 USER MOD Single : A 72 LYS NZ :NH3+ -144:sc= -1.07 (180deg=-3.06!) USER MOD Single : A 76 ASN : amide:sc= 0.181 X(o=0.18,f=-0.14) USER MOD Single : A 79 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 80 THR OG1 : rot 150:sc= -0.366 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -4.334 8.090 9.235 1.00 0.00 N ATOM 35 CA CYS A 3 -3.575 8.013 7.955 1.00 0.00 C ATOM 36 C CYS A 3 -3.101 9.407 7.529 1.00 0.00 C ATOM 37 O CYS A 3 -3.528 9.980 6.550 1.00 0.00 O ATOM 38 CB CYS A 3 -4.430 7.406 6.821 1.00 0.00 C ATOM 39 SG CYS A 3 -3.363 7.029 5.408 1.00 0.00 S ATOM 0 HA CYS A 3 -2.716 7.365 8.130 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.927 6.500 7.169 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.212 8.105 6.525 1.00 0.00 H new ATOM 44 N GLY A 4 -2.193 9.936 8.303 1.00 0.00 N ATOM 45 CA GLY A 4 -1.636 11.291 7.998 1.00 0.00 C ATOM 46 C GLY A 4 -0.255 11.136 7.343 1.00 0.00 C ATOM 47 O GLY A 4 0.020 11.716 6.312 1.00 0.00 O ATOM 0 H GLY A 4 -1.810 9.489 9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.308 11.832 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.554 11.877 8.913 1.00 0.00 H new ATOM 51 N HIS A 5 0.590 10.343 7.946 1.00 0.00 N ATOM 52 CA HIS A 5 1.970 10.124 7.386 1.00 0.00 C ATOM 53 C HIS A 5 1.949 8.936 6.413 1.00 0.00 C ATOM 54 O HIS A 5 2.695 8.894 5.451 1.00 0.00 O ATOM 55 CB HIS A 5 2.957 9.822 8.540 1.00 0.00 C ATOM 56 CG HIS A 5 4.391 9.644 8.003 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.377 9.142 8.674 1.00 0.00 N ATOM 58 CD2 HIS A 5 4.950 9.951 6.771 1.00 0.00 C ATOM 59 CE1 HIS A 5 6.446 9.133 7.943 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.226 9.626 6.751 1.00 0.00 N ATOM 0 H HIS A 5 0.390 9.832 8.806 1.00 0.00 H new ATOM 0 HA HIS A 5 2.290 11.022 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.934 10.635 9.266 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.645 8.918 9.064 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.414 10.394 5.945 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.404 8.763 8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.889 9.734 5.984 1.00 0.00 H new ATOM 68 N VAL A 6 1.102 7.977 6.680 1.00 0.00 N ATOM 69 CA VAL A 6 1.001 6.780 5.791 1.00 0.00 C ATOM 70 C VAL A 6 0.738 7.193 4.337 1.00 0.00 C ATOM 71 O VAL A 6 1.226 6.579 3.408 1.00 0.00 O ATOM 72 CB VAL A 6 -0.152 5.882 6.262 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.242 4.709 5.313 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.013 5.436 7.695 1.00 0.00 C ATOM 0 H VAL A 6 0.471 7.971 7.481 1.00 0.00 H new ATOM 0 HA VAL A 6 1.948 6.242 5.842 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.083 6.448 6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.054 4.052 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.434 5.072 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.697 4.156 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.828 4.804 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.941 4.873 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.046 6.309 8.346 1.00 0.00 H new ATOM 84 N ASP A 7 -0.051 8.222 4.158 1.00 0.00 N ATOM 85 CA ASP A 7 -0.365 8.699 2.771 1.00 0.00 C ATOM 86 C ASP A 7 0.912 8.910 1.947 1.00 0.00 C ATOM 87 O ASP A 7 1.123 8.306 0.915 1.00 0.00 O ATOM 88 CB ASP A 7 -1.164 10.055 2.820 1.00 0.00 C ATOM 89 CG ASP A 7 -2.682 9.842 2.688 1.00 0.00 C ATOM 90 OD1 ASP A 7 -3.166 8.860 3.201 1.00 0.00 O ATOM 91 OD2 ASP A 7 -3.292 10.694 2.060 1.00 0.00 O ATOM 0 H ASP A 7 -0.492 8.753 4.909 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.971 7.927 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.951 10.566 3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.819 10.707 2.017 1.00 0.00 H new ATOM 96 N SER A 8 1.752 9.780 2.434 1.00 0.00 N ATOM 97 CA SER A 8 3.041 10.085 1.728 1.00 0.00 C ATOM 98 C SER A 8 3.901 8.809 1.576 1.00 0.00 C ATOM 99 O SER A 8 4.713 8.704 0.677 1.00 0.00 O ATOM 100 CB SER A 8 3.787 11.165 2.556 1.00 0.00 C ATOM 101 OG SER A 8 4.911 11.565 1.776 1.00 0.00 O ATOM 0 H SER A 8 1.605 10.301 3.299 1.00 0.00 H new ATOM 0 HA SER A 8 2.843 10.454 0.722 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.136 12.014 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.105 10.765 3.519 1.00 0.00 H new ATOM 0 HG SER A 8 5.417 12.252 2.259 1.00 0.00 H new ATOM 107 N LEU A 9 3.721 7.851 2.454 1.00 0.00 N ATOM 108 CA LEU A 9 4.506 6.609 2.372 1.00 0.00 C ATOM 109 C LEU A 9 3.998 5.710 1.237 1.00 0.00 C ATOM 110 O LEU A 9 4.784 5.062 0.575 1.00 0.00 O ATOM 111 CB LEU A 9 4.387 5.977 3.754 1.00 0.00 C ATOM 112 CG LEU A 9 5.130 6.819 4.854 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.932 6.166 6.200 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.620 6.892 4.612 1.00 0.00 C ATOM 0 H LEU A 9 3.055 7.890 3.225 1.00 0.00 H new ATOM 0 HA LEU A 9 5.553 6.783 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.334 5.883 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.801 4.969 3.728 1.00 0.00 H new ATOM 0 HG LEU A 9 4.712 7.825 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.446 6.747 6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.868 6.123 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.339 5.155 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.088 7.484 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.039 5.886 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.809 7.359 3.645 1.00 0.00 H new ATOM 126 N VAL A 10 2.714 5.667 1.022 1.00 0.00 N ATOM 127 CA VAL A 10 2.156 4.812 -0.078 1.00 0.00 C ATOM 128 C VAL A 10 1.921 5.607 -1.379 1.00 0.00 C ATOM 129 O VAL A 10 1.557 5.053 -2.400 1.00 0.00 O ATOM 130 CB VAL A 10 0.837 4.197 0.420 1.00 0.00 C ATOM 131 CG1 VAL A 10 1.144 3.331 1.621 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.185 5.254 0.774 1.00 0.00 C ATOM 0 H VAL A 10 2.019 6.186 1.559 1.00 0.00 H new ATOM 0 HA VAL A 10 2.880 4.034 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 10 0.400 3.600 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.222 2.884 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.840 2.543 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.592 3.942 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.100 4.774 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.211 5.893 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.403 5.858 -0.107 1.00 0.00 H new ATOM 142 N ARG A 11 2.127 6.895 -1.320 1.00 0.00 N ATOM 143 CA ARG A 11 1.939 7.767 -2.520 1.00 0.00 C ATOM 144 C ARG A 11 2.992 7.527 -3.635 1.00 0.00 C ATOM 145 O ARG A 11 2.629 7.604 -4.793 1.00 0.00 O ATOM 146 CB ARG A 11 2.001 9.254 -2.061 1.00 0.00 C ATOM 147 CG ARG A 11 0.807 10.075 -2.612 1.00 0.00 C ATOM 148 CD ARG A 11 -0.504 9.570 -1.976 1.00 0.00 C ATOM 149 NE ARG A 11 -1.608 10.507 -2.370 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.211 11.184 -1.436 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.813 10.466 -0.546 1.00 0.00 N ATOM 152 NH2 ARG A 11 -2.164 12.484 -1.456 1.00 0.00 N ATOM 0 H ARG A 11 2.422 7.389 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 11 0.971 7.518 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.002 9.299 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.936 9.700 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.947 11.133 -2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.757 9.980 -3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.726 8.558 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.409 9.529 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.880 10.611 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.790 9.448 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.311 10.917 0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.658 12.965 -2.200 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.634 13.023 -0.728 1.00 0.00 H new ATOM 166 N PRO A 12 4.246 7.273 -3.308 1.00 0.00 N ATOM 167 CA PRO A 12 5.277 7.035 -4.348 1.00 0.00 C ATOM 168 C PRO A 12 5.042 5.766 -5.172 1.00 0.00 C ATOM 169 O PRO A 12 5.450 5.735 -6.317 1.00 0.00 O ATOM 170 CB PRO A 12 6.612 7.001 -3.581 1.00 0.00 C ATOM 171 CG PRO A 12 6.187 6.455 -2.200 1.00 0.00 C ATOM 172 CD PRO A 12 4.856 7.192 -1.941 1.00 0.00 C ATOM 0 HA PRO A 12 5.256 7.822 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.343 6.354 -4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.063 7.991 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.055 5.373 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.928 6.675 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.219 6.644 -1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.019 8.181 -1.512 1.00 0.00 H new ATOM 180 N CYS A 13 4.423 4.744 -4.617 1.00 0.00 N ATOM 181 CA CYS A 13 4.218 3.535 -5.459 1.00 0.00 C ATOM 182 C CYS A 13 2.932 3.624 -6.308 1.00 0.00 C ATOM 183 O CYS A 13 2.707 2.813 -7.186 1.00 0.00 O ATOM 184 CB CYS A 13 4.218 2.337 -4.491 1.00 0.00 C ATOM 185 SG CYS A 13 5.697 1.289 -4.549 1.00 0.00 S ATOM 0 H CYS A 13 4.068 4.700 -3.662 1.00 0.00 H new ATOM 0 HA CYS A 13 5.014 3.429 -6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.100 2.713 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.347 1.718 -4.706 1.00 0.00 H new ATOM 190 N LEU A 14 2.120 4.609 -6.050 1.00 0.00 N ATOM 191 CA LEU A 14 0.840 4.798 -6.814 1.00 0.00 C ATOM 192 C LEU A 14 1.163 5.175 -8.280 1.00 0.00 C ATOM 193 O LEU A 14 0.448 4.837 -9.207 1.00 0.00 O ATOM 194 CB LEU A 14 0.053 5.946 -6.135 1.00 0.00 C ATOM 195 CG LEU A 14 -1.388 5.575 -5.701 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.364 4.661 -4.499 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.077 6.869 -5.336 1.00 0.00 C ATOM 0 H LEU A 14 2.287 5.310 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 14 0.251 3.881 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.608 6.279 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.005 6.791 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.908 5.054 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.385 4.413 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.825 3.747 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.865 5.163 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.100 6.661 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.538 7.351 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.091 7.531 -6.202 1.00 0.00 H new ATOM 209 N SER A 15 2.242 5.896 -8.455 1.00 0.00 N ATOM 210 CA SER A 15 2.652 6.320 -9.830 1.00 0.00 C ATOM 211 C SER A 15 2.842 5.131 -10.778 1.00 0.00 C ATOM 212 O SER A 15 2.747 5.253 -11.979 1.00 0.00 O ATOM 213 CB SER A 15 3.935 7.118 -9.710 1.00 0.00 C ATOM 214 OG SER A 15 3.534 8.114 -8.775 1.00 0.00 O ATOM 0 H SER A 15 2.858 6.210 -7.705 1.00 0.00 H new ATOM 0 HA SER A 15 1.858 6.928 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.766 6.515 -9.343 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.248 7.545 -10.663 1.00 0.00 H new ATOM 0 HG SER A 15 4.286 8.717 -8.597 1.00 0.00 H new ATOM 220 N TYR A 16 3.099 3.979 -10.228 1.00 0.00 N ATOM 221 CA TYR A 16 3.301 2.763 -11.078 1.00 0.00 C ATOM 222 C TYR A 16 1.953 2.064 -11.276 1.00 0.00 C ATOM 223 O TYR A 16 1.596 1.658 -12.367 1.00 0.00 O ATOM 224 CB TYR A 16 4.266 1.832 -10.360 1.00 0.00 C ATOM 225 CG TYR A 16 4.437 0.499 -11.111 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.372 0.404 -12.490 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.645 -0.648 -10.378 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.506 -0.817 -13.108 1.00 0.00 C ATOM 229 CE2 TYR A 16 4.778 -1.870 -11.000 1.00 0.00 C ATOM 230 CZ TYR A 16 4.707 -1.964 -12.371 1.00 0.00 C ATOM 231 OH TYR A 16 4.802 -3.175 -13.026 1.00 0.00 O ATOM 0 H TYR A 16 3.179 3.821 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 16 3.708 3.037 -12.051 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.235 2.320 -10.260 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.901 1.637 -9.351 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.215 1.293 -13.083 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.705 -0.589 -9.301 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.453 -0.878 -14.185 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.939 -2.759 -10.408 1.00 0.00 H new ATOM 0 HH TYR A 16 3.986 -3.331 -13.546 1.00 0.00 H new ATOM 241 N VAL A 17 1.250 1.939 -10.189 1.00 0.00 N ATOM 242 CA VAL A 17 -0.097 1.276 -10.232 1.00 0.00 C ATOM 243 C VAL A 17 -1.010 1.914 -11.296 1.00 0.00 C ATOM 244 O VAL A 17 -1.824 1.256 -11.904 1.00 0.00 O ATOM 245 CB VAL A 17 -0.773 1.367 -8.835 1.00 0.00 C ATOM 246 CG1 VAL A 17 -2.008 0.496 -8.837 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.196 0.892 -7.779 1.00 0.00 C ATOM 0 H VAL A 17 1.543 2.265 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 17 0.052 0.231 -10.502 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.054 2.397 -8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.493 0.550 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.698 0.845 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.725 -0.536 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.275 0.955 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.477 -0.142 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.087 1.520 -7.794 1.00 0.00 H new ATOM 257 N GLN A 18 -0.894 3.196 -11.504 1.00 0.00 N ATOM 258 CA GLN A 18 -1.719 3.898 -12.507 1.00 0.00 C ATOM 259 C GLN A 18 -1.380 3.437 -13.939 1.00 0.00 C ATOM 260 O GLN A 18 -2.162 3.612 -14.850 1.00 0.00 O ATOM 261 CB GLN A 18 -1.446 5.391 -12.316 1.00 0.00 C ATOM 262 CG GLN A 18 0.075 5.720 -12.345 1.00 0.00 C ATOM 263 CD GLN A 18 0.370 7.227 -12.385 1.00 0.00 C ATOM 264 OE1 GLN A 18 1.493 7.679 -12.307 1.00 0.00 O ATOM 265 NE2 GLN A 18 -0.617 8.057 -12.506 1.00 0.00 N ATOM 0 H GLN A 18 -0.240 3.797 -11.002 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.777 3.675 -12.370 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.953 5.954 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.868 5.717 -11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.550 5.287 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.526 5.245 -13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.573 7.707 -12.574 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.439 9.061 -12.533 1.00 0.00 H new ATOM 274 N GLY A 19 -0.220 2.859 -14.115 1.00 0.00 N ATOM 275 CA GLY A 19 0.206 2.378 -15.470 1.00 0.00 C ATOM 276 C GLY A 19 1.268 3.324 -16.045 1.00 0.00 C ATOM 277 O GLY A 19 1.222 3.685 -17.203 1.00 0.00 O ATOM 0 H GLY A 19 0.460 2.697 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.607 1.367 -15.398 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.654 2.333 -16.138 1.00 0.00 H new ATOM 281 N GLY A 20 2.203 3.705 -15.218 1.00 0.00 N ATOM 282 CA GLY A 20 3.291 4.627 -15.671 1.00 0.00 C ATOM 283 C GLY A 20 4.643 4.120 -15.171 1.00 0.00 C ATOM 284 O GLY A 20 4.719 3.046 -14.603 1.00 0.00 O ATOM 0 H GLY A 20 2.263 3.417 -14.241 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.296 4.691 -16.759 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.108 5.633 -15.294 1.00 0.00 H new ATOM 288 N PRO A 21 5.684 4.891 -15.386 1.00 0.00 N ATOM 289 CA PRO A 21 7.041 4.510 -14.909 1.00 0.00 C ATOM 290 C PRO A 21 7.106 4.608 -13.373 1.00 0.00 C ATOM 291 O PRO A 21 6.515 5.494 -12.786 1.00 0.00 O ATOM 292 CB PRO A 21 7.957 5.491 -15.635 1.00 0.00 C ATOM 293 CG PRO A 21 7.069 6.766 -15.697 1.00 0.00 C ATOM 294 CD PRO A 21 5.689 6.201 -16.100 1.00 0.00 C ATOM 0 HA PRO A 21 7.329 3.481 -15.124 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.885 5.665 -15.090 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.232 5.136 -16.628 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.031 7.280 -14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.442 7.484 -16.428 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.872 6.847 -15.778 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.594 6.080 -17.179 1.00 0.00 H new ATOM 302 N GLY A 22 7.826 3.711 -12.745 1.00 0.00 N ATOM 303 CA GLY A 22 7.935 3.739 -11.266 1.00 0.00 C ATOM 304 C GLY A 22 8.202 2.317 -10.752 1.00 0.00 C ATOM 305 O GLY A 22 8.767 1.506 -11.459 1.00 0.00 O ATOM 0 H GLY A 22 8.343 2.960 -13.202 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.742 4.406 -10.961 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.016 4.130 -10.829 1.00 0.00 H new ATOM 309 N PRO A 23 7.794 2.047 -9.535 1.00 0.00 N ATOM 310 CA PRO A 23 7.261 3.047 -8.575 1.00 0.00 C ATOM 311 C PRO A 23 8.243 4.176 -8.253 1.00 0.00 C ATOM 312 O PRO A 23 8.054 5.298 -8.679 1.00 0.00 O ATOM 313 CB PRO A 23 6.876 2.183 -7.359 1.00 0.00 C ATOM 314 CG PRO A 23 7.831 0.955 -7.462 1.00 0.00 C ATOM 315 CD PRO A 23 7.800 0.685 -8.962 1.00 0.00 C ATOM 0 HA PRO A 23 6.415 3.607 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.018 2.723 -6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.829 1.881 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.835 1.183 -7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.472 0.104 -6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.668 0.112 -9.289 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.916 0.119 -9.254 1.00 0.00 H new ATOM 323 N SER A 24 9.264 3.844 -7.516 1.00 0.00 N ATOM 324 CA SER A 24 10.307 4.847 -7.113 1.00 0.00 C ATOM 325 C SER A 24 11.366 4.164 -6.258 1.00 0.00 C ATOM 326 O SER A 24 11.148 3.077 -5.760 1.00 0.00 O ATOM 327 CB SER A 24 9.628 5.962 -6.298 1.00 0.00 C ATOM 328 OG SER A 24 9.015 5.200 -5.264 1.00 0.00 O ATOM 0 H SER A 24 9.429 2.901 -7.165 1.00 0.00 H new ATOM 0 HA SER A 24 10.781 5.269 -7.999 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.345 6.685 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.900 6.520 -6.887 1.00 0.00 H new ATOM 0 HG SER A 24 8.101 4.967 -5.528 1.00 0.00 H new ATOM 334 N GLY A 25 12.490 4.808 -6.107 1.00 0.00 N ATOM 335 CA GLY A 25 13.561 4.198 -5.266 1.00 0.00 C ATOM 336 C GLY A 25 13.292 4.661 -3.816 1.00 0.00 C ATOM 337 O GLY A 25 14.085 4.399 -2.934 1.00 0.00 O ATOM 0 H GLY A 25 12.713 5.714 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.539 3.111 -5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.548 4.519 -5.600 1.00 0.00 H new ATOM 341 N GLN A 26 12.181 5.335 -3.603 1.00 0.00 N ATOM 342 CA GLN A 26 11.850 5.825 -2.213 1.00 0.00 C ATOM 343 C GLN A 26 10.727 4.942 -1.649 1.00 0.00 C ATOM 344 O GLN A 26 10.599 4.767 -0.451 1.00 0.00 O ATOM 345 CB GLN A 26 11.364 7.292 -2.260 1.00 0.00 C ATOM 346 CG GLN A 26 12.435 8.188 -2.929 1.00 0.00 C ATOM 347 CD GLN A 26 11.971 9.649 -2.877 1.00 0.00 C ATOM 348 OE1 GLN A 26 11.016 10.041 -3.518 1.00 0.00 O ATOM 349 NE2 GLN A 26 12.617 10.491 -2.122 1.00 0.00 N ATOM 0 H GLN A 26 11.494 5.567 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 26 12.739 5.772 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.428 7.355 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.160 7.648 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.391 8.079 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.591 7.880 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.420 10.176 -1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.319 11.465 -2.074 1.00 0.00 H new ATOM 358 N CYS A 27 9.924 4.384 -2.520 1.00 0.00 N ATOM 359 CA CYS A 27 8.809 3.503 -2.059 1.00 0.00 C ATOM 360 C CYS A 27 9.322 2.380 -1.173 1.00 0.00 C ATOM 361 O CYS A 27 8.893 2.278 -0.058 1.00 0.00 O ATOM 362 CB CYS A 27 8.078 2.890 -3.288 1.00 0.00 C ATOM 363 SG CYS A 27 6.769 1.703 -2.886 1.00 0.00 S ATOM 0 H CYS A 27 9.993 4.501 -3.531 1.00 0.00 H new ATOM 0 HA CYS A 27 8.118 4.114 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.646 3.700 -3.876 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.815 2.395 -3.921 1.00 0.00 H new ATOM 368 N CYS A 28 10.231 1.576 -1.649 1.00 0.00 N ATOM 369 CA CYS A 28 10.734 0.464 -0.792 1.00 0.00 C ATOM 370 C CYS A 28 11.298 0.906 0.552 1.00 0.00 C ATOM 371 O CYS A 28 11.432 0.086 1.436 1.00 0.00 O ATOM 372 CB CYS A 28 11.759 -0.308 -1.619 1.00 0.00 C ATOM 373 SG CYS A 28 10.902 -1.236 -2.912 1.00 0.00 S ATOM 0 H CYS A 28 10.643 1.637 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 28 9.892 -0.170 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.478 0.380 -2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.322 -0.988 -0.980 1.00 0.00 H new ATOM 378 N ASP A 29 11.592 2.168 0.683 1.00 0.00 N ATOM 379 CA ASP A 29 12.148 2.690 1.963 1.00 0.00 C ATOM 380 C ASP A 29 10.971 3.171 2.817 1.00 0.00 C ATOM 381 O ASP A 29 10.839 2.779 3.960 1.00 0.00 O ATOM 382 CB ASP A 29 13.094 3.861 1.646 1.00 0.00 C ATOM 383 CG ASP A 29 13.734 4.311 2.955 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.672 3.631 3.319 1.00 0.00 O ATOM 385 OD2 ASP A 29 13.256 5.285 3.511 1.00 0.00 O ATOM 0 H ASP A 29 11.470 2.868 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 29 12.705 1.923 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.859 3.552 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.544 4.683 1.187 1.00 0.00 H new ATOM 390 N GLY A 30 10.128 3.975 2.238 1.00 0.00 N ATOM 391 CA GLY A 30 8.944 4.516 2.972 1.00 0.00 C ATOM 392 C GLY A 30 7.909 3.428 3.264 1.00 0.00 C ATOM 393 O GLY A 30 7.311 3.393 4.323 1.00 0.00 O ATOM 0 H GLY A 30 10.207 4.288 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.272 4.966 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.482 5.308 2.383 1.00 0.00 H new ATOM 397 N VAL A 31 7.733 2.524 2.351 1.00 0.00 N ATOM 398 CA VAL A 31 6.749 1.415 2.507 1.00 0.00 C ATOM 399 C VAL A 31 7.315 0.338 3.433 1.00 0.00 C ATOM 400 O VAL A 31 6.610 -0.112 4.323 1.00 0.00 O ATOM 401 CB VAL A 31 6.447 0.919 1.044 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.643 -0.355 0.949 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.696 2.019 0.329 1.00 0.00 C ATOM 0 H VAL A 31 8.247 2.504 1.470 1.00 0.00 H new ATOM 0 HA VAL A 31 5.818 1.721 2.983 1.00 0.00 H new ATOM 0 HB VAL A 31 7.412 0.690 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.489 -0.611 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.181 -1.163 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.677 -0.212 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.472 1.704 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.766 2.227 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.308 2.920 0.304 1.00 0.00 H new ATOM 413 N LYS A 32 8.554 -0.052 3.231 1.00 0.00 N ATOM 414 CA LYS A 32 9.165 -1.098 4.109 1.00 0.00 C ATOM 415 C LYS A 32 9.073 -0.602 5.554 1.00 0.00 C ATOM 416 O LYS A 32 8.689 -1.336 6.447 1.00 0.00 O ATOM 417 CB LYS A 32 10.609 -1.265 3.674 1.00 0.00 C ATOM 418 CG LYS A 32 11.388 -2.236 4.552 1.00 0.00 C ATOM 419 CD LYS A 32 12.821 -2.276 3.990 1.00 0.00 C ATOM 420 CE LYS A 32 13.709 -3.162 4.868 1.00 0.00 C ATOM 421 NZ LYS A 32 15.118 -3.104 4.382 1.00 0.00 N ATOM 0 H LYS A 32 9.165 0.309 2.498 1.00 0.00 H new ATOM 0 HA LYS A 32 8.656 -2.059 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.633 -1.617 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.102 -0.293 3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.387 -1.906 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.935 -3.227 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.809 -2.659 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.231 -1.267 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.658 -2.830 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.349 -4.190 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.717 -3.707 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.160 -3.441 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.460 -2.123 4.426 1.00 0.00 H new ATOM 435 N ASN A 33 9.424 0.647 5.729 1.00 0.00 N ATOM 436 CA ASN A 33 9.383 1.272 7.088 1.00 0.00 C ATOM 437 C ASN A 33 8.025 1.101 7.724 1.00 0.00 C ATOM 438 O ASN A 33 7.938 0.522 8.778 1.00 0.00 O ATOM 439 CB ASN A 33 9.677 2.787 6.996 1.00 0.00 C ATOM 440 CG ASN A 33 11.137 3.051 7.329 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.555 2.911 8.458 1.00 0.00 O ATOM 442 ND2 ASN A 33 11.947 3.430 6.394 1.00 0.00 N ATOM 0 H ASN A 33 9.740 1.266 4.983 1.00 0.00 H new ATOM 0 HA ASN A 33 10.140 0.774 7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.452 3.150 5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.033 3.334 7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.928 3.608 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.605 3.551 5.441 1.00 0.00 H new ATOM 449 N LEU A 34 7.004 1.596 7.076 1.00 0.00 N ATOM 450 CA LEU A 34 5.612 1.477 7.627 1.00 0.00 C ATOM 451 C LEU A 34 5.315 0.013 7.968 1.00 0.00 C ATOM 452 O LEU A 34 4.997 -0.344 9.086 1.00 0.00 O ATOM 453 CB LEU A 34 4.651 2.000 6.569 1.00 0.00 C ATOM 454 CG LEU A 34 3.161 1.896 7.027 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.396 2.933 6.253 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.545 0.554 6.692 1.00 0.00 C ATOM 0 H LEU A 34 7.070 2.082 6.182 1.00 0.00 H new ATOM 0 HA LEU A 34 5.501 2.058 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.889 3.040 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.787 1.436 5.646 1.00 0.00 H new ATOM 0 HG LEU A 34 3.121 2.032 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.345 2.899 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.800 3.922 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.488 2.731 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.509 0.534 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.576 0.398 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.105 -0.238 7.189 1.00 0.00 H new ATOM 468 N HIS A 35 5.448 -0.824 6.983 1.00 0.00 N ATOM 469 CA HIS A 35 5.191 -2.285 7.164 1.00 0.00 C ATOM 470 C HIS A 35 5.913 -2.799 8.429 1.00 0.00 C ATOM 471 O HIS A 35 5.339 -3.411 9.308 1.00 0.00 O ATOM 472 CB HIS A 35 5.674 -2.888 5.840 1.00 0.00 C ATOM 473 CG HIS A 35 5.506 -4.398 5.777 1.00 0.00 C ATOM 474 ND1 HIS A 35 6.370 -5.267 6.173 1.00 0.00 N ATOM 475 CD2 HIS A 35 4.451 -5.147 5.307 1.00 0.00 C ATOM 476 CE1 HIS A 35 5.905 -6.460 5.975 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.711 -6.432 5.436 1.00 0.00 N ATOM 0 H HIS A 35 5.729 -0.557 6.040 1.00 0.00 H new ATOM 0 HA HIS A 35 4.152 -2.559 7.345 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.123 -2.432 5.017 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.725 -2.639 5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.541 -4.740 4.892 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.437 -7.367 6.224 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.120 -7.222 5.177 1.00 0.00 H new ATOM 485 N ASN A 36 7.186 -2.514 8.468 1.00 0.00 N ATOM 486 CA ASN A 36 8.060 -2.925 9.619 1.00 0.00 C ATOM 487 C ASN A 36 7.577 -2.273 10.927 1.00 0.00 C ATOM 488 O ASN A 36 7.573 -2.888 11.973 1.00 0.00 O ATOM 489 CB ASN A 36 9.510 -2.464 9.362 1.00 0.00 C ATOM 490 CG ASN A 36 10.454 -3.115 10.388 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.574 -4.318 10.487 1.00 0.00 O ATOM 492 ND2 ASN A 36 11.155 -2.369 11.185 1.00 0.00 N ATOM 0 H ASN A 36 7.674 -2.001 7.734 1.00 0.00 H new ATOM 0 HA ASN A 36 8.012 -4.010 9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.814 -2.736 8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.574 -1.378 9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.781 -2.798 11.866 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.080 -1.353 11.130 1.00 0.00 H new ATOM 499 N GLN A 37 7.199 -1.032 10.830 1.00 0.00 N ATOM 500 CA GLN A 37 6.705 -0.257 12.008 1.00 0.00 C ATOM 501 C GLN A 37 5.427 -0.893 12.555 1.00 0.00 C ATOM 502 O GLN A 37 5.236 -0.971 13.754 1.00 0.00 O ATOM 503 CB GLN A 37 6.495 1.221 11.512 1.00 0.00 C ATOM 504 CG GLN A 37 5.280 1.932 12.172 1.00 0.00 C ATOM 505 CD GLN A 37 5.245 3.399 11.724 1.00 0.00 C ATOM 506 OE1 GLN A 37 5.279 3.725 10.554 1.00 0.00 O ATOM 507 NE2 GLN A 37 5.175 4.336 12.620 1.00 0.00 N ATOM 0 H GLN A 37 7.211 -0.503 9.958 1.00 0.00 H new ATOM 0 HA GLN A 37 7.414 -0.262 12.836 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.398 1.796 11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.359 1.217 10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.354 1.431 11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.356 1.873 13.258 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.145 4.093 13.610 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.150 5.315 12.334 1.00 0.00 H new ATOM 516 N ALA A 38 4.590 -1.333 11.661 1.00 0.00 N ATOM 517 CA ALA A 38 3.303 -1.977 12.064 1.00 0.00 C ATOM 518 C ALA A 38 3.496 -3.337 12.765 1.00 0.00 C ATOM 519 O ALA A 38 3.593 -4.370 12.127 1.00 0.00 O ATOM 520 CB ALA A 38 2.482 -2.124 10.802 1.00 0.00 C ATOM 0 H ALA A 38 4.741 -1.275 10.654 1.00 0.00 H new ATOM 0 HA ALA A 38 2.799 -1.354 12.802 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.527 -2.592 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.305 -1.141 10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.021 -2.746 10.087 1.00 0.00 H new ATOM 526 N ARG A 39 3.555 -3.317 14.075 1.00 0.00 N ATOM 527 CA ARG A 39 3.737 -4.607 14.824 1.00 0.00 C ATOM 528 C ARG A 39 2.460 -4.974 15.605 1.00 0.00 C ATOM 529 O ARG A 39 2.482 -5.889 16.400 1.00 0.00 O ATOM 530 CB ARG A 39 4.941 -4.459 15.802 1.00 0.00 C ATOM 531 CG ARG A 39 6.199 -3.988 15.024 1.00 0.00 C ATOM 532 CD ARG A 39 7.410 -3.817 15.985 1.00 0.00 C ATOM 533 NE ARG A 39 8.333 -4.996 15.844 1.00 0.00 N ATOM 534 CZ ARG A 39 8.655 -5.743 16.866 1.00 0.00 C ATOM 535 NH1 ARG A 39 9.506 -5.259 17.722 1.00 0.00 N ATOM 536 NH2 ARG A 39 8.114 -6.920 16.973 1.00 0.00 N ATOM 0 H ARG A 39 3.487 -2.479 14.653 1.00 0.00 H new ATOM 0 HA ARG A 39 3.935 -5.408 14.112 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.698 -3.742 16.586 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.142 -5.412 16.292 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.444 -4.713 14.248 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.990 -3.043 14.523 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.943 -2.895 15.755 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.062 -3.735 17.015 1.00 0.00 H new ATOM 0 HE ARG A 39 8.718 -5.218 14.926 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.896 -4.327 17.582 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.783 -5.811 18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.453 -7.243 16.267 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.351 -7.520 17.763 1.00 0.00 H new ATOM 550 N SER A 40 1.374 -4.282 15.374 1.00 0.00 N ATOM 551 CA SER A 40 0.087 -4.571 16.095 1.00 0.00 C ATOM 552 C SER A 40 -1.014 -4.891 15.078 1.00 0.00 C ATOM 553 O SER A 40 -0.751 -5.020 13.897 1.00 0.00 O ATOM 554 CB SER A 40 -0.331 -3.315 16.901 1.00 0.00 C ATOM 555 OG SER A 40 -0.804 -2.383 15.914 1.00 0.00 O ATOM 0 H SER A 40 1.319 -3.514 14.705 1.00 0.00 H new ATOM 0 HA SER A 40 0.228 -5.421 16.762 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.110 -3.552 17.626 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.511 -2.906 17.460 1.00 0.00 H new ATOM 0 HG SER A 40 -1.529 -1.844 16.294 1.00 0.00 H new ATOM 561 N GLN A 41 -2.231 -5.010 15.556 1.00 0.00 N ATOM 562 CA GLN A 41 -3.361 -5.307 14.628 1.00 0.00 C ATOM 563 C GLN A 41 -4.066 -3.973 14.269 1.00 0.00 C ATOM 564 O GLN A 41 -5.152 -3.969 13.723 1.00 0.00 O ATOM 565 CB GLN A 41 -4.349 -6.304 15.330 1.00 0.00 C ATOM 566 CG GLN A 41 -5.513 -6.678 14.361 1.00 0.00 C ATOM 567 CD GLN A 41 -6.381 -7.781 14.958 1.00 0.00 C ATOM 568 OE1 GLN A 41 -6.772 -7.719 16.103 1.00 0.00 O ATOM 569 NE2 GLN A 41 -6.723 -8.810 14.235 1.00 0.00 N ATOM 0 H GLN A 41 -2.486 -4.915 16.539 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.003 -5.772 13.709 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.815 -7.204 15.633 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.751 -5.852 16.236 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.123 -5.797 14.161 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.105 -7.007 13.405 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.405 -8.883 13.269 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.309 -9.543 14.636 1.00 0.00 H new ATOM 578 N SER A 42 -3.433 -2.863 14.554 1.00 0.00 N ATOM 579 CA SER A 42 -4.038 -1.531 14.239 1.00 0.00 C ATOM 580 C SER A 42 -3.191 -0.807 13.196 1.00 0.00 C ATOM 581 O SER A 42 -3.712 -0.243 12.253 1.00 0.00 O ATOM 582 CB SER A 42 -4.147 -0.714 15.570 1.00 0.00 C ATOM 583 OG SER A 42 -3.167 -1.234 16.471 1.00 0.00 O ATOM 0 H SER A 42 -2.514 -2.822 14.996 1.00 0.00 H new ATOM 0 HA SER A 42 -5.035 -1.650 13.816 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.974 0.346 15.385 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.146 -0.805 15.996 1.00 0.00 H new ATOM 0 HG SER A 42 -3.207 -0.742 17.317 1.00 0.00 H new ATOM 589 N ASP A 43 -1.905 -0.846 13.384 1.00 0.00 N ATOM 590 CA ASP A 43 -0.947 -0.187 12.453 1.00 0.00 C ATOM 591 C ASP A 43 -1.122 -0.714 11.019 1.00 0.00 C ATOM 592 O ASP A 43 -0.981 0.016 10.058 1.00 0.00 O ATOM 593 CB ASP A 43 0.432 -0.493 13.041 1.00 0.00 C ATOM 594 CG ASP A 43 1.318 0.745 12.961 1.00 0.00 C ATOM 595 OD1 ASP A 43 1.865 0.963 11.897 1.00 0.00 O ATOM 596 OD2 ASP A 43 1.381 1.395 13.991 1.00 0.00 O ATOM 0 H ASP A 43 -1.463 -1.323 14.170 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.105 0.888 12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.332 -0.812 14.078 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.894 -1.317 12.497 1.00 0.00 H new ATOM 601 N ARG A 44 -1.460 -1.975 10.919 1.00 0.00 N ATOM 602 CA ARG A 44 -1.641 -2.585 9.567 1.00 0.00 C ATOM 603 C ARG A 44 -3.039 -2.338 9.007 1.00 0.00 C ATOM 604 O ARG A 44 -3.226 -2.321 7.806 1.00 0.00 O ATOM 605 CB ARG A 44 -1.312 -4.088 9.688 1.00 0.00 C ATOM 606 CG ARG A 44 -2.116 -4.833 10.775 1.00 0.00 C ATOM 607 CD ARG A 44 -1.425 -6.203 10.997 1.00 0.00 C ATOM 608 NE ARG A 44 -1.469 -6.928 9.691 1.00 0.00 N ATOM 609 CZ ARG A 44 -2.088 -8.062 9.560 1.00 0.00 C ATOM 610 NH1 ARG A 44 -3.311 -8.201 9.973 1.00 0.00 N ATOM 611 NH2 ARG A 44 -1.452 -9.025 8.994 1.00 0.00 N ATOM 0 H ARG A 44 -1.617 -2.603 11.707 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.966 -2.116 8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.496 -4.566 8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.249 -4.198 9.901 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.136 -4.258 11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.151 -4.970 10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.396 -6.067 11.329 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.937 -6.773 11.772 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.001 -6.521 8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.796 -7.415 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.787 -9.097 9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.496 -8.882 8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.903 -9.932 8.872 1.00 0.00 H new ATOM 625 N GLN A 45 -3.991 -2.153 9.881 1.00 0.00 N ATOM 626 CA GLN A 45 -5.390 -1.891 9.446 1.00 0.00 C ATOM 627 C GLN A 45 -5.463 -0.410 9.042 1.00 0.00 C ATOM 628 O GLN A 45 -6.147 -0.041 8.110 1.00 0.00 O ATOM 629 CB GLN A 45 -6.294 -2.208 10.635 1.00 0.00 C ATOM 630 CG GLN A 45 -7.121 -3.448 10.294 1.00 0.00 C ATOM 631 CD GLN A 45 -7.761 -3.966 11.565 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.561 -3.320 12.204 1.00 0.00 O ATOM 633 NE2 GLN A 45 -7.441 -5.147 11.987 1.00 0.00 N ATOM 0 H GLN A 45 -3.855 -2.173 10.892 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.705 -2.499 8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.697 -2.385 11.529 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.948 -1.363 10.850 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.886 -3.202 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.487 -4.215 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.769 -5.710 11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.861 -5.514 12.841 1.00 0.00 H new ATOM 642 N SER A 46 -4.738 0.425 9.733 1.00 0.00 N ATOM 643 CA SER A 46 -4.766 1.885 9.395 1.00 0.00 C ATOM 644 C SER A 46 -4.164 2.143 8.012 1.00 0.00 C ATOM 645 O SER A 46 -4.818 2.673 7.130 1.00 0.00 O ATOM 646 CB SER A 46 -3.982 2.631 10.461 1.00 0.00 C ATOM 647 OG SER A 46 -4.639 2.276 11.675 1.00 0.00 O ATOM 0 H SER A 46 -4.131 0.168 10.511 1.00 0.00 H new ATOM 0 HA SER A 46 -5.798 2.235 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.934 2.331 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.004 3.708 10.294 1.00 0.00 H new ATOM 0 HG SER A 46 -4.254 1.445 12.024 1.00 0.00 H new ATOM 653 N ALA A 47 -2.930 1.747 7.834 1.00 0.00 N ATOM 654 CA ALA A 47 -2.299 1.981 6.500 1.00 0.00 C ATOM 655 C ALA A 47 -3.069 1.287 5.369 1.00 0.00 C ATOM 656 O ALA A 47 -3.089 1.742 4.235 1.00 0.00 O ATOM 657 CB ALA A 47 -0.881 1.488 6.611 1.00 0.00 C ATOM 0 H ALA A 47 -2.346 1.285 8.531 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.319 3.040 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.369 1.635 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.362 2.044 7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.883 0.427 6.862 1.00 0.00 H new ATOM 663 N CYS A 48 -3.687 0.182 5.693 1.00 0.00 N ATOM 664 CA CYS A 48 -4.474 -0.560 4.667 1.00 0.00 C ATOM 665 C CYS A 48 -5.589 0.385 4.177 1.00 0.00 C ATOM 666 O CYS A 48 -5.822 0.535 2.985 1.00 0.00 O ATOM 667 CB CYS A 48 -5.055 -1.791 5.310 1.00 0.00 C ATOM 668 SG CYS A 48 -5.921 -2.892 4.180 1.00 0.00 S ATOM 0 H CYS A 48 -3.680 -0.238 6.623 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.858 -0.870 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.251 -2.347 5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.745 -1.483 6.096 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.377 -3.917 4.837 1.00 0.00 H new ATOM 673 N ASN A 49 -6.245 1.023 5.111 1.00 0.00 N ATOM 674 CA ASN A 49 -7.347 1.973 4.741 1.00 0.00 C ATOM 675 C ASN A 49 -6.851 3.030 3.759 1.00 0.00 C ATOM 676 O ASN A 49 -7.563 3.356 2.828 1.00 0.00 O ATOM 677 CB ASN A 49 -7.881 2.659 5.997 1.00 0.00 C ATOM 678 CG ASN A 49 -8.784 1.719 6.722 1.00 0.00 C ATOM 679 OD1 ASN A 49 -9.890 1.443 6.311 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.365 1.199 7.814 1.00 0.00 N ATOM 0 H ASN A 49 -6.069 0.931 6.112 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.143 1.402 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.055 2.959 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.421 3.567 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.961 0.555 8.334 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.435 1.428 8.164 1.00 0.00 H new ATOM 687 N CYS A 50 -5.661 3.522 3.984 1.00 0.00 N ATOM 688 CA CYS A 50 -5.067 4.564 3.084 1.00 0.00 C ATOM 689 C CYS A 50 -5.183 4.106 1.619 1.00 0.00 C ATOM 690 O CYS A 50 -5.797 4.746 0.783 1.00 0.00 O ATOM 691 CB CYS A 50 -3.606 4.749 3.481 1.00 0.00 C ATOM 692 SG CYS A 50 -3.250 5.025 5.232 1.00 0.00 S ATOM 0 H CYS A 50 -5.065 3.244 4.763 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.596 5.512 3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.055 3.865 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.208 5.594 2.919 1.00 0.00 H new ATOM 697 N LEU A 51 -4.608 2.971 1.350 1.00 0.00 N ATOM 698 CA LEU A 51 -4.635 2.401 -0.032 1.00 0.00 C ATOM 699 C LEU A 51 -6.075 2.144 -0.499 1.00 0.00 C ATOM 700 O LEU A 51 -6.407 2.372 -1.650 1.00 0.00 O ATOM 701 CB LEU A 51 -3.793 1.116 0.025 1.00 0.00 C ATOM 702 CG LEU A 51 -2.281 1.513 0.144 1.00 0.00 C ATOM 703 CD1 LEU A 51 -1.512 0.407 0.826 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.712 1.695 -1.241 1.00 0.00 C ATOM 0 H LEU A 51 -4.112 2.402 2.036 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.221 3.094 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.092 0.505 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.957 0.516 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.198 2.434 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.462 0.689 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.920 0.242 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.598 -0.510 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.660 1.971 -1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.805 0.763 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.259 2.483 -1.759 1.00 0.00 H new ATOM 716 N LYS A 52 -6.884 1.690 0.410 1.00 0.00 N ATOM 717 CA LYS A 52 -8.316 1.385 0.126 1.00 0.00 C ATOM 718 C LYS A 52 -9.059 2.670 -0.322 1.00 0.00 C ATOM 719 O LYS A 52 -9.584 2.744 -1.417 1.00 0.00 O ATOM 720 CB LYS A 52 -8.815 0.759 1.471 1.00 0.00 C ATOM 721 CG LYS A 52 -9.811 -0.389 1.278 1.00 0.00 C ATOM 722 CD LYS A 52 -11.148 0.154 0.818 1.00 0.00 C ATOM 723 CE LYS A 52 -12.104 -1.032 0.642 1.00 0.00 C ATOM 724 NZ LYS A 52 -13.456 -0.496 0.328 1.00 0.00 N ATOM 0 H LYS A 52 -6.604 1.510 1.374 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.492 0.697 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.956 0.393 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.282 1.538 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.425 -1.096 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.934 -0.935 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.545 0.859 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.037 0.697 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.758 -1.684 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.135 -1.633 1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.122 -1.285 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.779 0.111 1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.413 0.062 -0.549 1.00 0.00 H new ATOM 738 N GLY A 53 -9.073 3.657 0.532 1.00 0.00 N ATOM 739 CA GLY A 53 -9.752 4.957 0.234 1.00 0.00 C ATOM 740 C GLY A 53 -9.221 5.521 -1.084 1.00 0.00 C ATOM 741 O GLY A 53 -9.977 6.089 -1.850 1.00 0.00 O ATOM 0 H GLY A 53 -8.630 3.618 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.830 4.810 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.574 5.666 1.043 1.00 0.00 H new ATOM 745 N ILE A 54 -7.942 5.346 -1.302 1.00 0.00 N ATOM 746 CA ILE A 54 -7.294 5.842 -2.553 1.00 0.00 C ATOM 747 C ILE A 54 -7.841 5.071 -3.760 1.00 0.00 C ATOM 748 O ILE A 54 -8.471 5.650 -4.615 1.00 0.00 O ATOM 749 CB ILE A 54 -5.745 5.629 -2.421 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.098 6.635 -1.416 1.00 0.00 C ATOM 751 CG2 ILE A 54 -5.081 5.731 -3.773 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.618 6.219 -1.099 1.00 0.00 C ATOM 0 H ILE A 54 -7.310 4.873 -0.656 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.508 6.901 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.587 4.627 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.117 7.641 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.680 6.663 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.007 5.581 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.488 4.968 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.268 6.718 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.182 6.930 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.607 5.222 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.036 6.215 -2.020 1.00 0.00 H new ATOM 764 N ALA A 55 -7.583 3.789 -3.787 1.00 0.00 N ATOM 765 CA ALA A 55 -8.053 2.913 -4.909 1.00 0.00 C ATOM 766 C ALA A 55 -9.500 3.273 -5.326 1.00 0.00 C ATOM 767 O ALA A 55 -9.862 3.316 -6.488 1.00 0.00 O ATOM 768 CB ALA A 55 -7.973 1.487 -4.425 1.00 0.00 C ATOM 0 H ALA A 55 -7.055 3.300 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.427 3.055 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.308 0.815 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.943 1.250 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.611 1.364 -3.550 1.00 0.00 H new ATOM 774 N ARG A 56 -10.305 3.544 -4.338 1.00 0.00 N ATOM 775 CA ARG A 56 -11.738 3.908 -4.583 1.00 0.00 C ATOM 776 C ARG A 56 -11.904 5.089 -5.552 1.00 0.00 C ATOM 777 O ARG A 56 -12.878 5.160 -6.277 1.00 0.00 O ATOM 778 CB ARG A 56 -12.396 4.272 -3.222 1.00 0.00 C ATOM 779 CG ARG A 56 -13.934 4.406 -3.377 1.00 0.00 C ATOM 780 CD ARG A 56 -14.555 4.959 -2.072 1.00 0.00 C ATOM 781 NE ARG A 56 -16.046 4.875 -2.204 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.800 5.936 -2.170 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.994 6.573 -3.286 1.00 0.00 N ATOM 784 NH2 ARG A 56 -17.311 6.294 -1.031 1.00 0.00 N ATOM 0 H ARG A 56 -10.032 3.530 -3.355 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.220 3.047 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.165 3.504 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.980 5.208 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.167 5.070 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.369 3.435 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.214 4.382 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.243 5.990 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.482 3.961 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.562 6.237 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.578 7.409 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.118 5.748 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.905 7.121 -0.976 1.00 0.00 H new ATOM 798 N GLY A 57 -10.961 5.989 -5.545 1.00 0.00 N ATOM 799 CA GLY A 57 -11.042 7.177 -6.444 1.00 0.00 C ATOM 800 C GLY A 57 -10.132 7.031 -7.657 1.00 0.00 C ATOM 801 O GLY A 57 -9.657 8.025 -8.172 1.00 0.00 O ATOM 0 H GLY A 57 -10.132 5.954 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.071 7.312 -6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.766 8.073 -5.888 1.00 0.00 H new ATOM 805 N ILE A 58 -9.897 5.821 -8.101 1.00 0.00 N ATOM 806 CA ILE A 58 -9.017 5.639 -9.296 1.00 0.00 C ATOM 807 C ILE A 58 -9.912 5.241 -10.476 1.00 0.00 C ATOM 808 O ILE A 58 -10.705 4.328 -10.362 1.00 0.00 O ATOM 809 CB ILE A 58 -7.978 4.527 -9.021 1.00 0.00 C ATOM 810 CG1 ILE A 58 -7.220 4.807 -7.695 1.00 0.00 C ATOM 811 CG2 ILE A 58 -7.000 4.452 -10.173 1.00 0.00 C ATOM 812 CD1 ILE A 58 -6.329 6.066 -7.754 1.00 0.00 C ATOM 0 H ILE A 58 -10.270 4.963 -7.695 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.479 6.560 -9.519 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.497 3.573 -8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.944 4.920 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.601 3.944 -7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.268 3.668 -9.978 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.538 4.225 -11.093 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.488 5.408 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.829 6.203 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.582 5.947 -8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.946 6.939 -7.969 1.00 0.00 H new ATOM 824 N HIS A 59 -9.757 5.936 -11.576 1.00 0.00 N ATOM 825 CA HIS A 59 -10.595 5.610 -12.771 1.00 0.00 C ATOM 826 C HIS A 59 -9.970 4.437 -13.530 1.00 0.00 C ATOM 827 O HIS A 59 -10.672 3.494 -13.838 1.00 0.00 O ATOM 828 CB HIS A 59 -10.685 6.814 -13.722 1.00 0.00 C ATOM 829 CG HIS A 59 -11.814 6.533 -14.731 1.00 0.00 C ATOM 830 ND1 HIS A 59 -12.127 5.370 -15.209 1.00 0.00 N ATOM 831 CD2 HIS A 59 -12.709 7.399 -15.337 1.00 0.00 C ATOM 832 CE1 HIS A 59 -13.118 5.490 -16.034 1.00 0.00 C ATOM 833 NE2 HIS A 59 -13.511 6.734 -16.143 1.00 0.00 N ATOM 0 H HIS A 59 -9.097 6.704 -11.698 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.596 5.352 -12.424 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.890 7.727 -13.164 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -9.738 6.963 -14.240 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -11.663 4.493 -14.972 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.744 8.466 -15.172 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.566 4.664 -16.567 1.00 0.00 H new ATOM 841 N ASN A 60 -8.695 4.509 -13.822 1.00 0.00 N ATOM 842 CA ASN A 60 -8.038 3.380 -14.561 1.00 0.00 C ATOM 843 C ASN A 60 -6.988 2.720 -13.643 1.00 0.00 C ATOM 844 O ASN A 60 -5.792 2.842 -13.838 1.00 0.00 O ATOM 845 CB ASN A 60 -7.371 3.926 -15.840 1.00 0.00 C ATOM 846 CG ASN A 60 -7.115 2.738 -16.774 1.00 0.00 C ATOM 847 OD1 ASN A 60 -8.033 2.108 -17.255 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.900 2.389 -17.057 1.00 0.00 N ATOM 0 H ASN A 60 -8.084 5.290 -13.585 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.780 2.634 -14.845 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.015 4.661 -16.323 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.436 4.431 -15.598 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.728 1.596 -17.675 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.115 2.907 -16.662 1.00 0.00 H new ATOM 855 N LEU A 61 -7.473 2.024 -12.646 1.00 0.00 N ATOM 856 CA LEU A 61 -6.551 1.340 -11.682 1.00 0.00 C ATOM 857 C LEU A 61 -5.952 0.089 -12.340 1.00 0.00 C ATOM 858 O LEU A 61 -6.605 -0.585 -13.117 1.00 0.00 O ATOM 859 CB LEU A 61 -7.380 0.980 -10.407 1.00 0.00 C ATOM 860 CG LEU A 61 -6.497 0.414 -9.232 1.00 0.00 C ATOM 861 CD1 LEU A 61 -7.179 0.742 -7.922 1.00 0.00 C ATOM 862 CD2 LEU A 61 -6.389 -1.091 -9.309 1.00 0.00 C ATOM 0 H LEU A 61 -8.467 1.898 -12.456 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.721 1.988 -11.401 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.907 1.869 -10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.138 0.243 -10.671 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.504 0.858 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.582 0.358 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.280 1.823 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.167 0.282 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.774 -1.454 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.384 -1.531 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.931 -1.375 -10.257 1.00 0.00 H new ATOM 874 N ASN A 62 -4.716 -0.196 -12.013 1.00 0.00 N ATOM 875 CA ASN A 62 -4.031 -1.394 -12.595 1.00 0.00 C ATOM 876 C ASN A 62 -3.558 -2.344 -11.476 1.00 0.00 C ATOM 877 O ASN A 62 -2.660 -2.012 -10.716 1.00 0.00 O ATOM 878 CB ASN A 62 -2.844 -0.898 -13.395 1.00 0.00 C ATOM 879 CG ASN A 62 -2.196 -2.000 -14.166 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.731 -2.945 -13.571 1.00 0.00 O ATOM 881 ND2 ASN A 62 -2.134 -1.919 -15.462 1.00 0.00 N ATOM 0 H ASN A 62 -4.149 0.351 -11.365 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.719 -1.950 -13.232 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.169 -0.116 -14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.115 -0.448 -12.722 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.686 -2.662 -15.999 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.533 -1.112 -15.942 1.00 0.00 H new ATOM 888 N GLU A 63 -4.163 -3.496 -11.396 1.00 0.00 N ATOM 889 CA GLU A 63 -3.771 -4.481 -10.342 1.00 0.00 C ATOM 890 C GLU A 63 -2.388 -5.073 -10.666 1.00 0.00 C ATOM 891 O GLU A 63 -1.601 -5.338 -9.775 1.00 0.00 O ATOM 892 CB GLU A 63 -4.844 -5.646 -10.264 1.00 0.00 C ATOM 893 CG GLU A 63 -5.600 -5.690 -8.893 1.00 0.00 C ATOM 894 CD GLU A 63 -4.565 -5.769 -7.769 1.00 0.00 C ATOM 895 OE1 GLU A 63 -4.158 -4.705 -7.345 1.00 0.00 O ATOM 896 OE2 GLU A 63 -4.225 -6.878 -7.396 1.00 0.00 O ATOM 0 H GLU A 63 -4.914 -3.801 -12.015 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.726 -3.970 -9.380 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.569 -5.520 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.347 -6.602 -10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.221 -4.802 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.266 -6.552 -8.855 1.00 0.00 H new ATOM 903 N ASP A 64 -2.122 -5.245 -11.934 1.00 0.00 N ATOM 904 CA ASP A 64 -0.811 -5.821 -12.365 1.00 0.00 C ATOM 905 C ASP A 64 0.363 -5.062 -11.749 1.00 0.00 C ATOM 906 O ASP A 64 1.281 -5.660 -11.237 1.00 0.00 O ATOM 907 CB ASP A 64 -0.696 -5.764 -13.889 1.00 0.00 C ATOM 908 CG ASP A 64 0.628 -6.411 -14.265 1.00 0.00 C ATOM 909 OD1 ASP A 64 0.640 -7.632 -14.245 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.542 -5.653 -14.543 1.00 0.00 O ATOM 0 H ASP A 64 -2.759 -5.010 -12.695 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.774 -6.855 -12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.528 -6.290 -14.357 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.733 -4.732 -14.239 1.00 0.00 H new ATOM 915 N ASN A 65 0.314 -3.766 -11.801 1.00 0.00 N ATOM 916 CA ASN A 65 1.429 -2.958 -11.225 1.00 0.00 C ATOM 917 C ASN A 65 1.358 -2.973 -9.689 1.00 0.00 C ATOM 918 O ASN A 65 2.358 -3.208 -9.032 1.00 0.00 O ATOM 919 CB ASN A 65 1.285 -1.567 -11.833 1.00 0.00 C ATOM 920 CG ASN A 65 1.480 -1.663 -13.354 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.333 -2.368 -13.858 1.00 0.00 O ATOM 922 ND2 ASN A 65 0.716 -0.964 -14.132 1.00 0.00 N ATOM 0 H ASN A 65 -0.446 -3.227 -12.216 1.00 0.00 H new ATOM 0 HA ASN A 65 2.414 -3.359 -11.463 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.301 -1.156 -11.605 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.021 -0.889 -11.401 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.837 -1.013 -15.144 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.007 -0.365 -13.733 1.00 0.00 H new ATOM 929 N ALA A 66 0.192 -2.731 -9.139 1.00 0.00 N ATOM 930 CA ALA A 66 0.036 -2.740 -7.636 1.00 0.00 C ATOM 931 C ALA A 66 0.620 -4.035 -7.033 1.00 0.00 C ATOM 932 O ALA A 66 1.292 -4.025 -6.012 1.00 0.00 O ATOM 933 CB ALA A 66 -1.424 -2.680 -7.258 1.00 0.00 C ATOM 0 H ALA A 66 -0.661 -2.527 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 66 0.568 -1.871 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.519 -2.687 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.865 -1.766 -7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.943 -3.544 -7.674 1.00 0.00 H new ATOM 939 N ARG A 67 0.330 -5.120 -7.696 1.00 0.00 N ATOM 940 CA ARG A 67 0.811 -6.447 -7.249 1.00 0.00 C ATOM 941 C ARG A 67 2.274 -6.671 -7.684 1.00 0.00 C ATOM 942 O ARG A 67 2.942 -7.545 -7.171 1.00 0.00 O ATOM 943 CB ARG A 67 -0.204 -7.393 -7.861 1.00 0.00 C ATOM 944 CG ARG A 67 0.013 -8.828 -7.406 1.00 0.00 C ATOM 945 CD ARG A 67 -1.293 -9.600 -7.683 1.00 0.00 C ATOM 946 NE ARG A 67 -0.946 -11.008 -8.038 1.00 0.00 N ATOM 947 CZ ARG A 67 -1.235 -11.406 -9.239 1.00 0.00 C ATOM 948 NH1 ARG A 67 -0.455 -11.033 -10.209 1.00 0.00 N ATOM 949 NH2 ARG A 67 -2.291 -12.142 -9.389 1.00 0.00 N ATOM 0 H ARG A 67 -0.233 -5.137 -8.547 1.00 0.00 H new ATOM 0 HA ARG A 67 0.861 -6.586 -6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.210 -7.073 -7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.138 -7.343 -8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.847 -9.279 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.261 -8.861 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.939 -9.579 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.846 -9.130 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.500 -11.631 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.356 -10.445 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.653 -11.328 -11.165 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.860 -12.388 -8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.553 -12.475 -10.317 1.00 0.00 H new ATOM 963 N SER A 68 2.741 -5.873 -8.608 1.00 0.00 N ATOM 964 CA SER A 68 4.164 -6.020 -9.087 1.00 0.00 C ATOM 965 C SER A 68 5.136 -5.207 -8.222 1.00 0.00 C ATOM 966 O SER A 68 6.336 -5.288 -8.388 1.00 0.00 O ATOM 967 CB SER A 68 4.311 -5.535 -10.527 1.00 0.00 C ATOM 968 OG SER A 68 3.755 -6.607 -11.262 1.00 0.00 O ATOM 0 H SER A 68 2.208 -5.127 -9.055 1.00 0.00 H new ATOM 0 HA SER A 68 4.404 -7.081 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.774 -4.602 -10.699 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.353 -5.357 -10.792 1.00 0.00 H new ATOM 0 HG SER A 68 2.779 -6.518 -11.282 1.00 0.00 H new ATOM 974 N ILE A 69 4.631 -4.432 -7.302 1.00 0.00 N ATOM 975 CA ILE A 69 5.522 -3.614 -6.411 1.00 0.00 C ATOM 976 C ILE A 69 6.145 -4.540 -5.323 1.00 0.00 C ATOM 977 O ILE A 69 7.355 -4.702 -5.257 1.00 0.00 O ATOM 978 CB ILE A 69 4.607 -2.466 -5.823 1.00 0.00 C ATOM 979 CG1 ILE A 69 4.382 -1.430 -6.944 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.203 -1.824 -4.590 1.00 0.00 C ATOM 981 CD1 ILE A 69 3.356 -0.343 -6.520 1.00 0.00 C ATOM 0 H ILE A 69 3.632 -4.325 -7.123 1.00 0.00 H new ATOM 0 HA ILE A 69 6.366 -3.163 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 69 3.657 -2.891 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.330 -0.957 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.027 -1.936 -7.842 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.535 -1.043 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.334 -2.578 -3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.170 -1.387 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.223 0.369 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.400 -0.814 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.724 0.180 -5.637 1.00 0.00 H new ATOM 993 N PRO A 70 5.324 -5.154 -4.497 1.00 0.00 N ATOM 994 CA PRO A 70 5.846 -6.016 -3.404 1.00 0.00 C ATOM 995 C PRO A 70 6.738 -7.207 -3.830 1.00 0.00 C ATOM 996 O PRO A 70 7.733 -7.419 -3.159 1.00 0.00 O ATOM 997 CB PRO A 70 4.565 -6.427 -2.619 1.00 0.00 C ATOM 998 CG PRO A 70 3.421 -6.300 -3.637 1.00 0.00 C ATOM 999 CD PRO A 70 3.823 -5.098 -4.496 1.00 0.00 C ATOM 0 HA PRO A 70 6.565 -5.470 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.644 -7.445 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.403 -5.777 -1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.319 -7.204 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.463 -6.136 -3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.418 -5.172 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.457 -4.162 -4.074 1.00 0.00 H new ATOM 1007 N PRO A 71 6.420 -7.939 -4.882 1.00 0.00 N ATOM 1008 CA PRO A 71 7.237 -9.114 -5.290 1.00 0.00 C ATOM 1009 C PRO A 71 8.664 -8.727 -5.703 1.00 0.00 C ATOM 1010 O PRO A 71 9.522 -9.586 -5.746 1.00 0.00 O ATOM 1011 CB PRO A 71 6.441 -9.753 -6.426 1.00 0.00 C ATOM 1012 CG PRO A 71 5.775 -8.529 -7.066 1.00 0.00 C ATOM 1013 CD PRO A 71 5.282 -7.768 -5.826 1.00 0.00 C ATOM 0 HA PRO A 71 7.394 -9.810 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.084 -10.283 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.709 -10.472 -6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.478 -7.941 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.956 -8.807 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.087 -6.718 -6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.358 -8.189 -5.430 1.00 0.00 H new ATOM 1021 N LYS A 72 8.896 -7.466 -5.983 1.00 0.00 N ATOM 1022 CA LYS A 72 10.275 -7.045 -6.394 1.00 0.00 C ATOM 1023 C LYS A 72 10.987 -6.279 -5.291 1.00 0.00 C ATOM 1024 O LYS A 72 12.181 -6.397 -5.114 1.00 0.00 O ATOM 1025 CB LYS A 72 10.239 -6.141 -7.638 1.00 0.00 C ATOM 1026 CG LYS A 72 9.513 -4.774 -7.467 1.00 0.00 C ATOM 1027 CD LYS A 72 10.270 -3.748 -8.355 1.00 0.00 C ATOM 1028 CE LYS A 72 9.624 -2.357 -8.269 1.00 0.00 C ATOM 1029 NZ LYS A 72 10.500 -1.352 -8.967 1.00 0.00 N ATOM 0 H LYS A 72 8.202 -6.719 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 72 10.815 -7.967 -6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.265 -5.948 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.755 -6.688 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.469 -4.851 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.520 -4.461 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.312 -3.688 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.270 -4.089 -9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.636 -2.375 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.486 -2.072 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.464 -0.447 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.480 -1.700 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.162 -1.214 -9.941 1.00 0.00 H new ATOM 1043 N CYS A 73 10.235 -5.508 -4.571 1.00 0.00 N ATOM 1044 CA CYS A 73 10.806 -4.701 -3.459 1.00 0.00 C ATOM 1045 C CYS A 73 11.524 -5.556 -2.394 1.00 0.00 C ATOM 1046 O CYS A 73 12.641 -5.268 -2.015 1.00 0.00 O ATOM 1047 CB CYS A 73 9.624 -3.952 -2.937 1.00 0.00 C ATOM 1048 SG CYS A 73 9.874 -2.576 -1.799 1.00 0.00 S ATOM 0 H CYS A 73 9.230 -5.398 -4.705 1.00 0.00 H new ATOM 0 HA CYS A 73 11.603 -4.033 -3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.075 -3.568 -3.797 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.975 -4.673 -2.440 1.00 0.00 H new ATOM 1053 N GLY A 74 10.848 -6.577 -1.927 1.00 0.00 N ATOM 1054 CA GLY A 74 11.463 -7.469 -0.888 1.00 0.00 C ATOM 1055 C GLY A 74 10.760 -7.402 0.464 1.00 0.00 C ATOM 1056 O GLY A 74 11.276 -7.925 1.433 1.00 0.00 O ATOM 0 H GLY A 74 9.904 -6.832 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.445 -8.498 -1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.510 -7.195 -0.758 1.00 0.00 H new ATOM 1060 N VAL A 75 9.613 -6.770 0.510 1.00 0.00 N ATOM 1061 CA VAL A 75 8.852 -6.661 1.787 1.00 0.00 C ATOM 1062 C VAL A 75 7.524 -7.402 1.746 1.00 0.00 C ATOM 1063 O VAL A 75 7.014 -7.779 2.777 1.00 0.00 O ATOM 1064 CB VAL A 75 8.626 -5.169 2.071 1.00 0.00 C ATOM 1065 CG1 VAL A 75 9.968 -4.503 2.246 1.00 0.00 C ATOM 1066 CG2 VAL A 75 7.888 -4.478 0.947 1.00 0.00 C ATOM 0 H VAL A 75 9.170 -6.322 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 75 9.432 -7.129 2.582 1.00 0.00 H new ATOM 0 HB VAL A 75 8.018 -5.088 2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.824 -3.442 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.496 -4.963 3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.555 -4.622 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.752 -3.425 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.465 -4.563 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.914 -4.947 0.809 1.00 0.00 H new ATOM 1076 N ASN A 76 6.994 -7.586 0.569 1.00 0.00 N ATOM 1077 CA ASN A 76 5.694 -8.305 0.420 1.00 0.00 C ATOM 1078 C ASN A 76 4.564 -7.742 1.315 1.00 0.00 C ATOM 1079 O ASN A 76 4.188 -8.343 2.302 1.00 0.00 O ATOM 1080 CB ASN A 76 5.939 -9.773 0.748 1.00 0.00 C ATOM 1081 CG ASN A 76 4.741 -10.550 0.197 1.00 0.00 C ATOM 1082 OD1 ASN A 76 4.766 -11.100 -0.885 1.00 0.00 O ATOM 1083 ND2 ASN A 76 3.665 -10.599 0.918 1.00 0.00 N ATOM 0 H ASN A 76 7.409 -7.266 -0.306 1.00 0.00 H new ATOM 0 HA ASN A 76 5.348 -8.170 -0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.868 -10.121 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.034 -9.919 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.844 -11.098 0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.639 -10.138 1.828 1.00 0.00 H new ATOM 1090 N LEU A 77 4.040 -6.605 0.949 1.00 0.00 N ATOM 1091 CA LEU A 77 2.939 -5.975 1.750 1.00 0.00 C ATOM 1092 C LEU A 77 1.719 -6.900 1.774 1.00 0.00 C ATOM 1093 O LEU A 77 1.535 -7.664 0.847 1.00 0.00 O ATOM 1094 CB LEU A 77 2.532 -4.601 1.103 1.00 0.00 C ATOM 1095 CG LEU A 77 2.883 -3.363 1.980 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.349 -3.272 2.329 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.501 -2.093 1.254 1.00 0.00 C ATOM 0 H LEU A 77 4.326 -6.077 0.124 1.00 0.00 H new ATOM 0 HA LEU A 77 3.291 -5.811 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.029 -4.503 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.459 -4.605 0.910 1.00 0.00 H new ATOM 0 HG LEU A 77 2.321 -3.483 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.523 -2.387 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.647 -4.161 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.937 -3.202 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.749 -1.231 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.048 -2.033 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.430 -2.098 1.052 1.00 0.00 H new ATOM 1109 N PRO A 78 0.912 -6.808 2.806 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.309 -7.629 2.889 1.00 0.00 C ATOM 1111 C PRO A 78 -1.482 -6.890 2.230 1.00 0.00 C ATOM 1112 O PRO A 78 -2.604 -7.339 2.345 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.458 -7.852 4.382 1.00 0.00 C ATOM 1114 CG PRO A 78 -0.058 -6.468 4.963 1.00 0.00 C ATOM 1115 CD PRO A 78 1.073 -5.953 4.018 1.00 0.00 C ATOM 0 HA PRO A 78 -0.273 -8.580 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.477 -8.128 4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.194 -8.648 4.742 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.906 -5.784 4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.294 -6.557 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.953 -4.895 3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.059 -6.071 4.467 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.214 -5.782 1.575 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.311 -5.006 0.906 1.00 0.00 C ATOM 1125 C TYR A 79 -1.721 -3.920 -0.004 1.00 0.00 C ATOM 1126 O TYR A 79 -0.556 -3.588 0.125 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.216 -4.349 2.011 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.407 -3.545 3.056 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.645 -2.451 2.689 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.429 -3.908 4.385 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.925 -1.742 3.621 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.705 -3.193 5.319 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.947 -2.104 4.943 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.204 -1.364 5.842 1.00 0.00 O ATOM 0 H TYR A 79 -0.281 -5.381 1.475 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.908 -5.679 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.940 -3.689 1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.782 -5.129 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.615 -2.148 1.653 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.017 -4.758 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.337 -0.892 3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.733 -3.491 6.357 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.316 -1.735 6.742 1.00 0.00 H new ATOM 1144 N THR A 80 -2.508 -3.409 -0.914 1.00 0.00 N ATOM 1145 CA THR A 80 -2.031 -2.332 -1.851 1.00 0.00 C ATOM 1146 C THR A 80 -3.245 -1.538 -2.335 1.00 0.00 C ATOM 1147 O THR A 80 -4.340 -1.733 -1.839 1.00 0.00 O ATOM 1148 CB THR A 80 -1.284 -2.986 -3.074 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.932 -1.931 -3.979 1.00 0.00 O ATOM 1150 CG2 THR A 80 -2.174 -3.885 -3.897 1.00 0.00 C ATOM 0 H THR A 80 -3.478 -3.693 -1.055 1.00 0.00 H new ATOM 0 HA THR A 80 -1.337 -1.666 -1.338 1.00 0.00 H new ATOM 0 HB THR A 80 -0.448 -3.553 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.111 -2.171 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.602 -4.305 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.554 -4.693 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.010 -3.307 -4.291 1.00 0.00 H new ATOM 1158 N ILE A 81 -3.050 -0.670 -3.287 1.00 0.00 N ATOM 1159 CA ILE A 81 -4.170 0.139 -3.814 1.00 0.00 C ATOM 1160 C ILE A 81 -5.046 -0.808 -4.693 1.00 0.00 C ATOM 1161 O ILE A 81 -4.831 -0.997 -5.876 1.00 0.00 O ATOM 1162 CB ILE A 81 -3.505 1.379 -4.584 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -4.293 1.704 -5.847 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -2.037 1.194 -4.901 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -3.984 3.095 -6.351 1.00 0.00 C ATOM 0 H ILE A 81 -2.147 -0.488 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.839 0.556 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.552 2.222 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.057 0.975 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.360 1.619 -5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.663 2.076 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.479 1.056 -3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.910 0.317 -5.536 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.564 3.292 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.244 3.826 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.921 3.172 -6.579 1.00 0.00 H new ATOM 1177 N SER A 82 -6.029 -1.395 -4.063 1.00 0.00 N ATOM 1178 CA SER A 82 -6.961 -2.339 -4.776 1.00 0.00 C ATOM 1179 C SER A 82 -8.224 -2.539 -3.935 1.00 0.00 C ATOM 1180 O SER A 82 -8.370 -1.913 -2.902 1.00 0.00 O ATOM 1181 CB SER A 82 -6.273 -3.739 -4.992 1.00 0.00 C ATOM 1182 OG SER A 82 -7.172 -4.507 -5.796 1.00 0.00 O ATOM 0 H SER A 82 -6.234 -1.263 -3.073 1.00 0.00 H new ATOM 0 HA SER A 82 -7.213 -1.909 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.308 -3.626 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.086 -4.232 -4.038 1.00 0.00 H new ATOM 0 HG SER A 82 -6.787 -5.393 -5.962 1.00 0.00 H new