USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (2 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 62 ASN : amide:sc= 0.863 K(o=2.1,f=-15!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 162:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 31 GLN : amide:sc= 0.703 K(o=1.7,f=-11!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -174:sc= 0.967 (180deg=-0.0266) USER MOD Single : A 1 LYS N :NH3+ 167:sc= 0.944 (180deg=0.365) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.18) USER MOD Single : A 4 TYR OH : rot 23:sc= 0.724 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0712 USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.07) USER MOD Single : A 14 TYR OH : rot -108:sc= 1.1 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.127 K(o=-0.13,f=-6.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.91) USER MOD Single : A 32 GLN : amide:sc= -3.63! C(o=-3.6!,f=-5.8!) USER MOD Single : A 33 TYR OH : rot 23:sc= 0.132 USER MOD Single : A 40 TYR OH : rot -81:sc= 1.41 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -74:sc= 1.2 USER MOD Single : A 50 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 52 TYR OH : rot -60:sc= 0.878 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 66 SER OG : rot 51:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.342 0.469 1.397 1.00 1.00 N ATOM 2 CA LYS A 1 -10.010 0.016 1.759 1.00 1.00 C ATOM 3 C LYS A 1 -9.118 0.020 0.516 1.00 1.00 C ATOM 4 O LYS A 1 -8.513 -0.996 0.179 1.00 1.00 O ATOM 5 CB LYS A 1 -10.079 -1.342 2.462 1.00 1.00 C ATOM 6 CG LYS A 1 -11.208 -2.201 1.888 1.00 1.00 C ATOM 7 CD LYS A 1 -11.118 -3.638 2.400 1.00 1.00 C ATOM 8 CE LYS A 1 -12.510 -4.258 2.542 1.00 1.00 C ATOM 9 NZ LYS A 1 -13.078 -3.957 3.875 1.00 1.00 N ATOM 0 H1 LYS A 1 -12.002 0.262 2.174 1.00 1.00 H new ATOM 0 H2 LYS A 1 -11.324 1.494 1.222 1.00 1.00 H new ATOM 0 H3 LYS A 1 -11.654 -0.024 0.536 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.558 0.699 2.478 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.128 -1.863 2.349 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -10.237 -1.195 3.530 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -12.172 -1.773 2.164 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -11.156 -2.195 0.799 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -10.518 -4.236 1.713 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -10.609 -3.653 3.364 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -13.168 -3.871 1.764 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -12.450 -5.337 2.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -14.084 -4.219 3.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -12.567 -4.500 4.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -12.982 -2.940 4.072 1.00 1.00 H new ATOM 25 N GLU A 2 -9.067 1.174 -0.132 1.00 1.00 N ATOM 26 CA GLU A 2 -8.438 1.271 -1.438 1.00 1.00 C ATOM 27 C GLU A 2 -7.187 2.147 -1.362 1.00 1.00 C ATOM 28 O GLU A 2 -7.000 2.886 -0.397 1.00 1.00 O ATOM 29 CB GLU A 2 -9.421 1.809 -2.481 1.00 1.00 C ATOM 30 CG GLU A 2 -10.804 1.179 -2.307 1.00 1.00 C ATOM 31 CD GLU A 2 -10.694 -0.328 -2.065 1.00 1.00 C ATOM 32 OE1 GLU A 2 -9.973 -0.977 -2.853 1.00 1.00 O ATOM 33 OE2 GLU A 2 -11.333 -0.795 -1.098 1.00 1.00 O ATOM 0 H GLU A 2 -9.451 2.050 0.223 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.138 0.271 -1.750 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -9.497 2.893 -2.390 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.045 1.599 -3.482 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.319 1.649 -1.469 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -11.407 1.365 -3.196 1.00 1.00 H new ATOM 40 N GLY A 3 -6.360 2.035 -2.391 1.00 1.00 N ATOM 41 CA GLY A 3 -5.368 3.058 -2.670 1.00 1.00 C ATOM 42 C GLY A 3 -4.358 2.574 -3.713 1.00 1.00 C ATOM 43 O GLY A 3 -4.601 1.586 -4.405 1.00 1.00 O ATOM 0 H GLY A 3 -6.357 1.250 -3.042 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.863 3.961 -3.029 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.847 3.324 -1.750 1.00 1.00 H new ATOM 47 N TYR A 4 -3.247 3.292 -3.791 1.00 1.00 N ATOM 48 CA TYR A 4 -2.168 2.903 -4.683 1.00 1.00 C ATOM 49 C TYR A 4 -1.512 1.602 -4.218 1.00 1.00 C ATOM 50 O TYR A 4 -1.860 1.069 -3.165 1.00 1.00 O ATOM 51 CB TYR A 4 -1.137 4.033 -4.615 1.00 1.00 C ATOM 52 CG TYR A 4 -1.610 5.345 -5.242 1.00 1.00 C ATOM 53 CD1 TYR A 4 -1.798 5.431 -6.606 1.00 1.00 C ATOM 54 CD2 TYR A 4 -1.851 6.445 -4.443 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.243 6.666 -7.197 1.00 1.00 C ATOM 56 CE2 TYR A 4 -2.295 7.681 -5.034 1.00 1.00 C ATOM 57 CZ TYR A 4 -2.470 7.731 -6.381 1.00 1.00 C ATOM 58 OH TYR A 4 -2.891 8.898 -6.938 1.00 1.00 O ATOM 0 H TYR A 4 -3.071 4.140 -3.252 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.545 2.740 -5.693 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -0.879 4.213 -3.571 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.225 3.710 -5.118 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.611 4.571 -7.231 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -1.707 6.379 -3.375 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -2.393 6.745 -8.264 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -2.485 8.549 -4.420 1.00 1.00 H new ATOM 0 HH TYR A 4 -3.321 8.713 -7.799 1.00 1.00 H new ATOM 68 N LEU A 5 -0.574 1.128 -5.024 1.00 1.00 N ATOM 69 CA LEU A 5 0.114 -0.116 -4.722 1.00 1.00 C ATOM 70 C LEU A 5 1.536 0.194 -4.248 1.00 1.00 C ATOM 71 O LEU A 5 2.083 1.249 -4.565 1.00 1.00 O ATOM 72 CB LEU A 5 0.059 -1.063 -5.922 1.00 1.00 C ATOM 73 CG LEU A 5 -0.864 -2.275 -5.779 1.00 1.00 C ATOM 74 CD1 LEU A 5 -2.323 -1.838 -5.627 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.676 -3.249 -6.943 1.00 1.00 C ATOM 0 H LEU A 5 -0.274 1.583 -5.886 1.00 1.00 H new ATOM 0 HA LEU A 5 -0.387 -0.640 -3.908 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -0.256 -0.492 -6.796 1.00 1.00 H new ATOM 0 HB3 LEU A 5 1.068 -1.422 -6.123 1.00 1.00 H new ATOM 0 HG LEU A 5 -0.590 -2.807 -4.868 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -2.958 -2.718 -5.527 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -2.425 -1.214 -4.739 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -2.626 -1.270 -6.506 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -1.344 -4.101 -6.816 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -0.906 -2.744 -7.881 1.00 1.00 H new ATOM 0 HD23 LEU A 5 0.357 -3.597 -6.963 1.00 1.00 H new ATOM 87 N VAL A 6 2.091 -0.745 -3.497 1.00 1.00 N ATOM 88 CA VAL A 6 3.237 -0.446 -2.653 1.00 1.00 C ATOM 89 C VAL A 6 4.108 -1.698 -2.522 1.00 1.00 C ATOM 90 O VAL A 6 3.590 -2.809 -2.408 1.00 1.00 O ATOM 91 CB VAL A 6 2.765 0.098 -1.304 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.598 -0.727 -0.757 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.918 0.150 -0.300 1.00 1.00 C ATOM 0 H VAL A 6 1.770 -1.712 -3.455 1.00 1.00 H new ATOM 0 HA VAL A 6 3.852 0.332 -3.105 1.00 1.00 H new ATOM 0 HB VAL A 6 2.410 1.117 -1.460 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.282 -0.319 0.203 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.765 -0.689 -1.459 1.00 1.00 H new ATOM 0 HG13 VAL A 6 1.914 -1.762 -0.625 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.555 0.541 0.651 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.317 -0.854 -0.152 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.705 0.800 -0.683 1.00 1.00 H new ATOM 103 N ASP A 7 5.414 -1.476 -2.542 1.00 1.00 N ATOM 104 CA ASP A 7 6.360 -2.559 -2.331 1.00 1.00 C ATOM 105 C ASP A 7 6.889 -2.496 -0.896 1.00 1.00 C ATOM 106 O ASP A 7 6.617 -1.540 -0.173 1.00 1.00 O ATOM 107 CB ASP A 7 7.552 -2.440 -3.281 1.00 1.00 C ATOM 108 CG ASP A 7 8.192 -3.770 -3.684 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.849 -4.374 -2.809 1.00 1.00 O ATOM 110 OD2 ASP A 7 8.011 -4.154 -4.861 1.00 1.00 O ATOM 0 H ASP A 7 5.839 -0.563 -2.701 1.00 1.00 H new ATOM 0 HA ASP A 7 5.843 -3.500 -2.517 1.00 1.00 H new ATOM 0 HB2 ASP A 7 7.228 -1.922 -4.183 1.00 1.00 H new ATOM 0 HB3 ASP A 7 8.312 -1.816 -2.810 1.00 1.00 H new ATOM 115 N LYS A 8 7.634 -3.527 -0.529 1.00 1.00 N ATOM 116 CA LYS A 8 8.280 -3.558 0.772 1.00 1.00 C ATOM 117 C LYS A 8 9.736 -3.112 0.626 1.00 1.00 C ATOM 118 O LYS A 8 10.395 -2.798 1.616 1.00 1.00 O ATOM 119 CB LYS A 8 8.121 -4.937 1.416 1.00 1.00 C ATOM 120 CG LYS A 8 7.380 -4.837 2.751 1.00 1.00 C ATOM 121 CD LYS A 8 7.238 -6.213 3.404 1.00 1.00 C ATOM 122 CE LYS A 8 6.483 -6.115 4.730 1.00 1.00 C ATOM 123 NZ LYS A 8 6.353 -7.452 5.353 1.00 1.00 N ATOM 0 H LYS A 8 7.805 -4.348 -1.110 1.00 1.00 H new ATOM 0 HA LYS A 8 7.799 -2.856 1.453 1.00 1.00 H new ATOM 0 HB2 LYS A 8 7.575 -5.596 0.741 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.103 -5.384 1.573 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.919 -4.167 3.421 1.00 1.00 H new ATOM 0 HG3 LYS A 8 6.393 -4.403 2.591 1.00 1.00 H new ATOM 0 HD2 LYS A 8 6.710 -6.887 2.730 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.225 -6.642 3.574 1.00 1.00 H new ATOM 0 HE2 LYS A 8 7.010 -5.442 5.406 1.00 1.00 H new ATOM 0 HE3 LYS A 8 5.494 -5.688 4.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 5.838 -7.367 6.252 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 5.831 -8.084 4.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 7.299 -7.845 5.532 1.00 1.00 H new ATOM 137 N ASN A 9 10.195 -3.097 -0.616 1.00 1.00 N ATOM 138 CA ASN A 9 11.583 -2.775 -0.898 1.00 1.00 C ATOM 139 C ASN A 9 11.767 -1.257 -0.871 1.00 1.00 C ATOM 140 O ASN A 9 12.285 -0.708 0.101 1.00 1.00 O ATOM 141 CB ASN A 9 11.995 -3.277 -2.284 1.00 1.00 C ATOM 142 CG ASN A 9 12.575 -4.690 -2.206 1.00 1.00 C ATOM 143 OD1 ASN A 9 11.929 -5.674 -2.526 1.00 1.00 O ATOM 144 ND2 ASN A 9 13.829 -4.735 -1.764 1.00 1.00 N ATOM 0 H ASN A 9 9.630 -3.303 -1.440 1.00 1.00 H new ATOM 0 HA ASN A 9 12.201 -3.258 -0.141 1.00 1.00 H new ATOM 0 HB2 ASN A 9 11.131 -3.271 -2.948 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.733 -2.601 -2.715 1.00 1.00 H new ATOM 0 HD21 ASN A 9 14.307 -5.632 -1.676 1.00 1.00 H new ATOM 0 HD22 ASN A 9 14.313 -3.873 -1.513 1.00 1.00 H new ATOM 151 N THR A 10 11.333 -0.621 -1.949 1.00 1.00 N ATOM 152 CA THR A 10 11.513 0.813 -2.095 1.00 1.00 C ATOM 153 C THR A 10 10.230 1.554 -1.710 1.00 1.00 C ATOM 154 O THR A 10 10.261 2.752 -1.432 1.00 1.00 O ATOM 155 CB THR A 10 11.966 1.089 -3.530 1.00 1.00 C ATOM 156 OG1 THR A 10 11.035 0.370 -4.333 1.00 1.00 O ATOM 157 CG2 THR A 10 13.314 0.442 -3.854 1.00 1.00 C ATOM 0 H THR A 10 10.857 -1.073 -2.730 1.00 1.00 H new ATOM 0 HA THR A 10 12.282 1.186 -1.418 1.00 1.00 H new ATOM 0 HB THR A 10 12.033 2.165 -3.688 1.00 1.00 H new ATOM 0 HG1 THR A 10 11.254 0.496 -5.280 1.00 1.00 H new ATOM 0 HG21 THR A 10 13.588 0.669 -4.884 1.00 1.00 H new ATOM 0 HG22 THR A 10 14.077 0.833 -3.181 1.00 1.00 H new ATOM 0 HG23 THR A 10 13.239 -0.638 -3.728 1.00 1.00 H new ATOM 165 N GLY A 11 9.134 0.810 -1.707 1.00 1.00 N ATOM 166 CA GLY A 11 7.818 1.418 -1.608 1.00 1.00 C ATOM 167 C GLY A 11 7.194 1.603 -2.991 1.00 1.00 C ATOM 168 O GLY A 11 5.972 1.590 -3.132 1.00 1.00 O ATOM 0 H GLY A 11 9.130 -0.208 -1.772 1.00 1.00 H new ATOM 0 HA2 GLY A 11 7.170 0.793 -0.994 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.896 2.384 -1.108 1.00 1.00 H new ATOM 172 N CYS A 12 8.061 1.771 -3.979 1.00 1.00 N ATOM 173 CA CYS A 12 7.668 2.423 -5.217 1.00 1.00 C ATOM 174 C CYS A 12 6.716 1.491 -5.969 1.00 1.00 C ATOM 175 O CYS A 12 5.613 1.892 -6.337 1.00 1.00 O ATOM 176 CB CYS A 12 8.883 2.802 -6.066 1.00 1.00 C ATOM 177 SG CYS A 12 9.036 4.589 -6.430 1.00 1.00 S ATOM 0 H CYS A 12 9.034 1.467 -3.947 1.00 1.00 H new ATOM 0 HA CYS A 12 7.157 3.359 -4.992 1.00 1.00 H new ATOM 0 HB2 CYS A 12 9.785 2.472 -5.552 1.00 1.00 H new ATOM 0 HB3 CYS A 12 8.835 2.256 -7.008 1.00 1.00 H new ATOM 182 N LYS A 13 7.176 0.266 -6.175 1.00 1.00 N ATOM 183 CA LYS A 13 6.353 -0.746 -6.816 1.00 1.00 C ATOM 184 C LYS A 13 6.223 -0.422 -8.305 1.00 1.00 C ATOM 185 O LYS A 13 6.959 -0.965 -9.128 1.00 1.00 O ATOM 186 CB LYS A 13 5.010 -0.878 -6.096 1.00 1.00 C ATOM 187 CG LYS A 13 4.340 -2.214 -6.424 1.00 1.00 C ATOM 188 CD LYS A 13 4.887 -3.335 -5.538 1.00 1.00 C ATOM 189 CE LYS A 13 3.843 -4.433 -5.335 1.00 1.00 C ATOM 190 NZ LYS A 13 4.030 -5.090 -4.023 1.00 1.00 N ATOM 0 H LYS A 13 8.109 -0.049 -5.909 1.00 1.00 H new ATOM 0 HA LYS A 13 6.826 -1.725 -6.742 1.00 1.00 H new ATOM 0 HB2 LYS A 13 5.161 -0.798 -5.020 1.00 1.00 H new ATOM 0 HB3 LYS A 13 4.355 -0.057 -6.388 1.00 1.00 H new ATOM 0 HG2 LYS A 13 3.262 -2.128 -6.284 1.00 1.00 H new ATOM 0 HG3 LYS A 13 4.507 -2.461 -7.473 1.00 1.00 H new ATOM 0 HD2 LYS A 13 5.782 -3.759 -5.993 1.00 1.00 H new ATOM 0 HD3 LYS A 13 5.184 -2.927 -4.572 1.00 1.00 H new ATOM 0 HE2 LYS A 13 2.842 -4.006 -5.395 1.00 1.00 H new ATOM 0 HE3 LYS A 13 3.923 -5.171 -6.133 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 3.323 -5.844 -3.909 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 4.985 -5.499 -3.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 3.914 -4.389 -3.264 1.00 1.00 H new ATOM 204 N TYR A 14 5.282 0.461 -8.606 1.00 1.00 N ATOM 205 CA TYR A 14 4.813 0.618 -9.973 1.00 1.00 C ATOM 206 C TYR A 14 4.596 2.094 -10.312 1.00 1.00 C ATOM 207 O TYR A 14 4.177 2.875 -9.459 1.00 1.00 O ATOM 208 CB TYR A 14 3.471 -0.113 -10.044 1.00 1.00 C ATOM 209 CG TYR A 14 3.559 -1.609 -9.738 1.00 1.00 C ATOM 210 CD1 TYR A 14 4.619 -2.351 -10.219 1.00 1.00 C ATOM 211 CD2 TYR A 14 2.580 -2.217 -8.979 1.00 1.00 C ATOM 212 CE1 TYR A 14 4.703 -3.760 -9.930 1.00 1.00 C ATOM 213 CE2 TYR A 14 2.663 -3.626 -8.690 1.00 1.00 C ATOM 214 CZ TYR A 14 3.720 -4.327 -9.180 1.00 1.00 C ATOM 215 OH TYR A 14 3.799 -5.657 -8.906 1.00 1.00 O ATOM 0 H TYR A 14 4.832 1.075 -7.927 1.00 1.00 H new ATOM 0 HA TYR A 14 5.543 0.221 -10.678 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.779 0.351 -9.341 1.00 1.00 H new ATOM 0 HB3 TYR A 14 3.050 0.019 -11.040 1.00 1.00 H new ATOM 0 HD1 TYR A 14 5.386 -1.875 -10.812 1.00 1.00 H new ATOM 0 HD2 TYR A 14 1.751 -1.636 -8.601 1.00 1.00 H new ATOM 0 HE1 TYR A 14 5.527 -4.352 -10.300 1.00 1.00 H new ATOM 0 HE2 TYR A 14 1.903 -4.114 -8.098 1.00 1.00 H new ATOM 0 HH TYR A 14 3.114 -6.137 -9.417 1.00 1.00 H new ATOM 225 N GLU A 15 4.890 2.430 -11.559 1.00 1.00 N ATOM 226 CA GLU A 15 4.572 3.753 -12.071 1.00 1.00 C ATOM 227 C GLU A 15 4.235 3.678 -13.562 1.00 1.00 C ATOM 228 O GLU A 15 5.097 3.905 -14.409 1.00 1.00 O ATOM 229 CB GLU A 15 5.723 4.729 -11.819 1.00 1.00 C ATOM 230 CG GLU A 15 7.072 4.084 -12.142 1.00 1.00 C ATOM 231 CD GLU A 15 7.606 3.299 -10.943 1.00 1.00 C ATOM 232 OE1 GLU A 15 7.962 3.962 -9.944 1.00 1.00 O ATOM 233 OE2 GLU A 15 7.645 2.054 -11.050 1.00 1.00 O ATOM 0 H GLU A 15 5.344 1.810 -12.230 1.00 1.00 H new ATOM 0 HA GLU A 15 3.698 4.127 -11.538 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.588 5.622 -12.430 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.710 5.050 -10.778 1.00 1.00 H new ATOM 0 HG2 GLU A 15 6.965 3.418 -12.998 1.00 1.00 H new ATOM 0 HG3 GLU A 15 7.789 4.855 -12.425 1.00 1.00 H new ATOM 240 N CYS A 16 2.979 3.358 -13.835 1.00 1.00 N ATOM 241 CA CYS A 16 2.512 3.264 -15.209 1.00 1.00 C ATOM 242 C CYS A 16 2.715 4.624 -15.879 1.00 1.00 C ATOM 243 O CYS A 16 2.014 5.585 -15.565 1.00 1.00 O ATOM 244 CB CYS A 16 1.055 2.802 -15.281 1.00 1.00 C ATOM 245 SG CYS A 16 -0.090 3.701 -14.173 1.00 1.00 S ATOM 0 H CYS A 16 2.270 3.160 -13.129 1.00 1.00 H new ATOM 0 HA CYS A 16 3.090 2.509 -15.742 1.00 1.00 H new ATOM 0 HB2 CYS A 16 0.705 2.910 -16.307 1.00 1.00 H new ATOM 0 HB3 CYS A 16 1.013 1.740 -15.040 1.00 1.00 H new ATOM 250 N LEU A 17 3.676 4.662 -16.790 1.00 1.00 N ATOM 251 CA LEU A 17 4.083 5.918 -17.396 1.00 1.00 C ATOM 252 C LEU A 17 3.101 6.285 -18.511 1.00 1.00 C ATOM 253 O LEU A 17 3.502 6.472 -19.658 1.00 1.00 O ATOM 254 CB LEU A 17 5.540 5.842 -17.860 1.00 1.00 C ATOM 255 CG LEU A 17 6.572 5.522 -16.777 1.00 1.00 C ATOM 256 CD1 LEU A 17 7.976 5.411 -17.375 1.00 1.00 C ATOM 257 CD2 LEU A 17 6.512 6.547 -15.642 1.00 1.00 C ATOM 0 H LEU A 17 4.185 3.843 -17.123 1.00 1.00 H new ATOM 0 HA LEU A 17 4.047 6.723 -16.662 1.00 1.00 H new ATOM 0 HB2 LEU A 17 5.613 5.084 -18.640 1.00 1.00 H new ATOM 0 HB3 LEU A 17 5.805 6.795 -18.317 1.00 1.00 H new ATOM 0 HG LEU A 17 6.327 4.551 -16.347 1.00 1.00 H new ATOM 0 HD11 LEU A 17 8.691 5.183 -16.585 1.00 1.00 H new ATOM 0 HD12 LEU A 17 7.992 4.615 -18.120 1.00 1.00 H new ATOM 0 HD13 LEU A 17 8.246 6.356 -17.847 1.00 1.00 H new ATOM 0 HD21 LEU A 17 7.256 6.296 -14.886 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.718 7.541 -16.038 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.519 6.535 -15.193 1.00 1.00 H new ATOM 269 N LYS A 18 1.834 6.373 -18.134 1.00 1.00 N ATOM 270 CA LYS A 18 0.767 6.481 -19.114 1.00 1.00 C ATOM 271 C LYS A 18 -0.564 6.698 -18.392 1.00 1.00 C ATOM 272 O LYS A 18 -1.439 5.835 -18.424 1.00 1.00 O ATOM 273 CB LYS A 18 0.772 5.268 -20.046 1.00 1.00 C ATOM 274 CG LYS A 18 -0.264 5.428 -21.161 1.00 1.00 C ATOM 275 CD LYS A 18 0.302 6.250 -22.320 1.00 1.00 C ATOM 276 CE LYS A 18 -0.738 6.422 -23.430 1.00 1.00 C ATOM 277 NZ LYS A 18 -0.199 7.266 -24.519 1.00 1.00 N ATOM 0 H LYS A 18 1.522 6.372 -17.163 1.00 1.00 H new ATOM 0 HA LYS A 18 0.925 7.348 -19.756 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.764 5.144 -20.481 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.559 4.365 -19.474 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -0.570 4.446 -21.522 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -1.156 5.915 -20.767 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.617 7.228 -21.957 1.00 1.00 H new ATOM 0 HD3 LYS A 18 1.189 5.758 -22.720 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.022 5.446 -23.825 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.641 6.876 -23.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -0.917 7.372 -25.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 0.050 8.203 -24.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 0.650 6.817 -24.918 1.00 1.00 H new ATOM 291 N LEU A 19 -0.674 7.856 -17.757 1.00 1.00 N ATOM 292 CA LEU A 19 -1.828 8.144 -16.922 1.00 1.00 C ATOM 293 C LEU A 19 -3.092 8.129 -17.782 1.00 1.00 C ATOM 294 O LEU A 19 -3.075 8.584 -18.925 1.00 1.00 O ATOM 295 CB LEU A 19 -1.621 9.452 -16.155 1.00 1.00 C ATOM 296 CG LEU A 19 -1.646 10.732 -16.993 1.00 1.00 C ATOM 297 CD1 LEU A 19 -3.028 11.385 -16.953 1.00 1.00 C ATOM 298 CD2 LEU A 19 -0.542 11.696 -16.554 1.00 1.00 C ATOM 0 H LEU A 19 0.017 8.605 -17.804 1.00 1.00 H new ATOM 0 HA LEU A 19 -1.951 7.372 -16.163 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -2.393 9.527 -15.390 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -0.663 9.399 -15.637 1.00 1.00 H new ATOM 0 HG LEU A 19 -1.446 10.466 -18.031 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -3.019 12.293 -17.556 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -3.769 10.692 -17.351 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -3.282 11.636 -15.923 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -0.582 12.597 -17.165 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -0.686 11.961 -15.507 1.00 1.00 H new ATOM 0 HD23 LEU A 19 0.429 11.217 -16.677 1.00 1.00 H new ATOM 310 N GLY A 20 -4.160 7.602 -17.200 1.00 1.00 N ATOM 311 CA GLY A 20 -5.399 7.417 -17.937 1.00 1.00 C ATOM 312 C GLY A 20 -5.582 5.953 -18.342 1.00 1.00 C ATOM 313 O GLY A 20 -6.594 5.337 -18.012 1.00 1.00 O ATOM 0 H GLY A 20 -4.193 7.297 -16.227 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.242 7.737 -17.324 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -5.395 8.047 -18.827 1.00 1.00 H new ATOM 317 N ASP A 21 -4.588 5.439 -19.050 1.00 1.00 N ATOM 318 CA ASP A 21 -4.730 4.155 -19.716 1.00 1.00 C ATOM 319 C ASP A 21 -4.759 3.042 -18.667 1.00 1.00 C ATOM 320 O ASP A 21 -3.711 2.583 -18.215 1.00 1.00 O ATOM 321 CB ASP A 21 -3.552 3.889 -20.655 1.00 1.00 C ATOM 322 CG ASP A 21 -3.434 4.856 -21.835 1.00 1.00 C ATOM 323 OD1 ASP A 21 -3.629 6.067 -21.597 1.00 1.00 O ATOM 324 OD2 ASP A 21 -3.150 4.362 -22.948 1.00 1.00 O ATOM 0 H ASP A 21 -3.681 5.888 -19.177 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.654 4.175 -20.293 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.629 3.931 -20.077 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -3.639 2.874 -21.044 1.00 1.00 H new ATOM 329 N ASN A 22 -5.970 2.641 -18.309 1.00 1.00 N ATOM 330 CA ASN A 22 -6.151 1.639 -17.274 1.00 1.00 C ATOM 331 C ASN A 22 -6.160 0.248 -17.912 1.00 1.00 C ATOM 332 O ASN A 22 -7.172 -0.449 -17.878 1.00 1.00 O ATOM 333 CB ASN A 22 -7.483 1.833 -16.546 1.00 1.00 C ATOM 334 CG ASN A 22 -8.654 1.817 -17.531 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.515 2.122 -18.705 1.00 1.00 O ATOM 336 ND2 ASN A 22 -9.811 1.445 -16.991 1.00 1.00 N ATOM 0 H ASN A 22 -6.836 2.993 -18.718 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.332 1.739 -16.562 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.615 1.044 -15.806 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.471 2.779 -16.005 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -10.652 1.402 -17.567 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.857 1.203 -16.001 1.00 1.00 H new ATOM 343 N ASP A 23 -5.018 -0.115 -18.479 1.00 1.00 N ATOM 344 CA ASP A 23 -4.830 -1.464 -18.987 1.00 1.00 C ATOM 345 C ASP A 23 -3.915 -2.238 -18.037 1.00 1.00 C ATOM 346 O ASP A 23 -4.337 -3.216 -17.422 1.00 1.00 O ATOM 347 CB ASP A 23 -4.172 -1.445 -20.367 1.00 1.00 C ATOM 348 CG ASP A 23 -3.749 -2.815 -20.901 1.00 1.00 C ATOM 349 OD1 ASP A 23 -2.649 -3.261 -20.510 1.00 1.00 O ATOM 350 OD2 ASP A 23 -4.535 -3.386 -21.687 1.00 1.00 O ATOM 0 H ASP A 23 -4.214 0.501 -18.598 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.809 -1.937 -19.061 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.865 -0.993 -21.077 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.294 -0.801 -20.325 1.00 1.00 H new ATOM 355 N TYR A 24 -2.677 -1.772 -17.947 1.00 1.00 N ATOM 356 CA TYR A 24 -1.648 -2.515 -17.241 1.00 1.00 C ATOM 357 C TYR A 24 -1.893 -2.495 -15.731 1.00 1.00 C ATOM 358 O TYR A 24 -1.429 -3.376 -15.011 1.00 1.00 O ATOM 359 CB TYR A 24 -0.330 -1.798 -17.540 1.00 1.00 C ATOM 360 CG TYR A 24 0.036 -1.762 -19.026 1.00 1.00 C ATOM 361 CD1 TYR A 24 0.392 -2.926 -19.677 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.011 -0.567 -19.715 1.00 1.00 C ATOM 363 CE1 TYR A 24 0.736 -2.893 -21.075 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.355 -0.534 -21.113 1.00 1.00 C ATOM 365 CZ TYR A 24 0.701 -1.699 -21.724 1.00 1.00 C ATOM 366 OH TYR A 24 1.026 -1.667 -23.044 1.00 1.00 O ATOM 0 H TYR A 24 -2.364 -0.889 -18.351 1.00 1.00 H new ATOM 0 HA TYR A 24 -1.640 -3.557 -17.561 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.392 -0.776 -17.167 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.472 -2.290 -16.991 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.413 -3.862 -19.138 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.267 0.344 -19.206 1.00 1.00 H new ATOM 0 HE1 TYR A 24 1.016 -3.797 -21.596 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.339 0.395 -21.664 1.00 1.00 H new ATOM 0 HH TYR A 24 0.956 -0.748 -23.376 1.00 1.00 H new ATOM 376 N CYS A 25 -2.624 -1.478 -15.297 1.00 1.00 N ATOM 377 CA CYS A 25 -3.008 -1.376 -13.899 1.00 1.00 C ATOM 378 C CYS A 25 -4.119 -2.394 -13.631 1.00 1.00 C ATOM 379 O CYS A 25 -4.163 -3.003 -12.563 1.00 1.00 O ATOM 380 CB CYS A 25 -3.436 0.046 -13.533 1.00 1.00 C ATOM 381 SG CYS A 25 -2.082 1.277 -13.521 1.00 1.00 S ATOM 0 H CYS A 25 -2.960 -0.718 -15.888 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.150 -1.601 -13.265 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -4.199 0.373 -14.239 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.900 0.028 -12.547 1.00 1.00 H new ATOM 386 N LEU A 26 -4.990 -2.547 -14.618 1.00 1.00 N ATOM 387 CA LEU A 26 -6.110 -3.462 -14.492 1.00 1.00 C ATOM 388 C LEU A 26 -5.613 -4.898 -14.673 1.00 1.00 C ATOM 389 O LEU A 26 -6.309 -5.848 -14.320 1.00 1.00 O ATOM 390 CB LEU A 26 -7.231 -3.073 -15.459 1.00 1.00 C ATOM 391 CG LEU A 26 -8.583 -2.744 -14.822 1.00 1.00 C ATOM 392 CD1 LEU A 26 -9.496 -2.025 -15.816 1.00 1.00 C ATOM 393 CD2 LEU A 26 -9.237 -4.002 -14.247 1.00 1.00 C ATOM 0 H LEU A 26 -4.942 -2.052 -15.509 1.00 1.00 H new ATOM 0 HA LEU A 26 -6.544 -3.398 -13.494 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.903 -2.208 -16.035 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -7.374 -3.890 -16.166 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.413 -2.061 -13.990 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -10.450 -1.803 -15.338 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -9.025 -1.096 -16.136 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -9.664 -2.664 -16.683 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -10.196 -3.741 -13.800 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -9.394 -4.728 -15.045 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -8.588 -4.434 -13.486 1.00 1.00 H new ATOM 405 N ARG A 27 -4.412 -5.010 -15.221 1.00 1.00 N ATOM 406 CA ARG A 27 -3.692 -6.272 -15.195 1.00 1.00 C ATOM 407 C ARG A 27 -3.028 -6.476 -13.833 1.00 1.00 C ATOM 408 O ARG A 27 -3.128 -7.552 -13.244 1.00 1.00 O ATOM 409 CB ARG A 27 -2.623 -6.318 -16.288 1.00 1.00 C ATOM 410 CG ARG A 27 -3.231 -6.721 -17.633 1.00 1.00 C ATOM 411 CD ARG A 27 -2.138 -6.994 -18.669 1.00 1.00 C ATOM 412 NE ARG A 27 -2.722 -7.653 -19.858 1.00 1.00 N ATOM 413 CZ ARG A 27 -3.520 -7.039 -20.743 1.00 1.00 C ATOM 414 NH1 ARG A 27 -3.622 -5.703 -20.737 1.00 1.00 N ATOM 415 NH2 ARG A 27 -4.215 -7.760 -21.632 1.00 1.00 N ATOM 0 H ARG A 27 -3.919 -4.247 -15.686 1.00 1.00 H new ATOM 0 HA ARG A 27 -4.413 -7.069 -15.374 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -2.147 -5.341 -16.378 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -1.844 -7.028 -16.010 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -3.847 -7.611 -17.506 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -3.887 -5.928 -17.992 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -1.659 -6.059 -18.960 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -1.364 -7.627 -18.235 1.00 1.00 H new ATOM 0 HE ARG A 27 -2.504 -8.637 -20.014 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -3.093 -5.154 -20.059 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -4.229 -5.235 -21.410 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -4.137 -8.777 -21.636 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -4.822 -7.292 -22.305 1.00 1.00 H new ATOM 429 N GLU A 28 -2.364 -5.427 -13.369 1.00 1.00 N ATOM 430 CA GLU A 28 -1.580 -5.515 -12.149 1.00 1.00 C ATOM 431 C GLU A 28 -2.474 -5.903 -10.971 1.00 1.00 C ATOM 432 O GLU A 28 -2.221 -6.902 -10.298 1.00 1.00 O ATOM 433 CB GLU A 28 -0.848 -4.201 -11.872 1.00 1.00 C ATOM 434 CG GLU A 28 0.239 -4.392 -10.812 1.00 1.00 C ATOM 435 CD GLU A 28 1.361 -5.292 -11.333 1.00 1.00 C ATOM 436 OE1 GLU A 28 1.825 -5.024 -12.463 1.00 1.00 O ATOM 437 OE2 GLU A 28 1.729 -6.227 -10.590 1.00 1.00 O ATOM 0 H GLU A 28 -2.353 -4.511 -13.817 1.00 1.00 H new ATOM 0 HA GLU A 28 -0.827 -6.292 -12.280 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.401 -3.828 -12.794 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -1.560 -3.448 -11.536 1.00 1.00 H new ATOM 0 HG2 GLU A 28 0.648 -3.423 -10.527 1.00 1.00 H new ATOM 0 HG3 GLU A 28 -0.197 -4.831 -9.914 1.00 1.00 H new ATOM 444 N CYS A 29 -3.502 -5.095 -10.757 1.00 1.00 N ATOM 445 CA CYS A 29 -4.408 -5.315 -9.642 1.00 1.00 C ATOM 446 C CYS A 29 -4.900 -6.762 -9.701 1.00 1.00 C ATOM 447 O CYS A 29 -5.053 -7.412 -8.668 1.00 1.00 O ATOM 448 CB CYS A 29 -5.567 -4.317 -9.650 1.00 1.00 C ATOM 449 SG CYS A 29 -6.181 -3.840 -7.994 1.00 1.00 S ATOM 0 H CYS A 29 -3.728 -4.287 -11.337 1.00 1.00 H new ATOM 0 HA CYS A 29 -3.880 -5.150 -8.703 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -5.250 -3.417 -10.177 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -6.393 -4.745 -10.219 1.00 1.00 H new ATOM 454 N LYS A 30 -5.136 -7.225 -10.920 1.00 1.00 N ATOM 455 CA LYS A 30 -5.726 -8.537 -11.122 1.00 1.00 C ATOM 456 C LYS A 30 -4.711 -9.613 -10.733 1.00 1.00 C ATOM 457 O LYS A 30 -5.004 -10.478 -9.908 1.00 1.00 O ATOM 458 CB LYS A 30 -6.249 -8.673 -12.554 1.00 1.00 C ATOM 459 CG LYS A 30 -7.347 -9.737 -12.636 1.00 1.00 C ATOM 460 CD LYS A 30 -8.000 -9.745 -14.020 1.00 1.00 C ATOM 461 CE LYS A 30 -8.883 -8.512 -14.217 1.00 1.00 C ATOM 462 NZ LYS A 30 -8.283 -7.598 -15.215 1.00 1.00 N ATOM 0 H LYS A 30 -4.929 -6.714 -11.778 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.594 -8.669 -10.476 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -6.640 -7.714 -12.895 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -5.429 -8.939 -13.221 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.924 -10.719 -12.424 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -8.103 -9.544 -11.874 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.229 -9.771 -14.790 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -8.599 -10.648 -14.138 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -9.876 -8.818 -14.546 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -9.008 -7.992 -13.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.020 -6.973 -15.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -7.545 -7.024 -14.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.863 -8.154 -15.987 1.00 1.00 H new ATOM 476 N GLN A 31 -3.539 -9.526 -11.345 1.00 1.00 N ATOM 477 CA GLN A 31 -2.543 -10.573 -11.207 1.00 1.00 C ATOM 478 C GLN A 31 -1.388 -10.094 -10.325 1.00 1.00 C ATOM 479 O GLN A 31 -0.223 -10.220 -10.699 1.00 1.00 O ATOM 480 CB GLN A 31 -2.034 -11.031 -12.575 1.00 1.00 C ATOM 481 CG GLN A 31 -3.196 -11.434 -13.486 1.00 1.00 C ATOM 482 CD GLN A 31 -2.844 -12.675 -14.307 1.00 1.00 C ATOM 483 OE1 GLN A 31 -3.228 -13.789 -13.992 1.00 1.00 O ATOM 484 NE2 GLN A 31 -2.093 -12.422 -15.375 1.00 1.00 N ATOM 0 H GLN A 31 -3.257 -8.745 -11.938 1.00 1.00 H new ATOM 0 HA GLN A 31 -3.012 -11.431 -10.725 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -1.463 -10.229 -13.042 1.00 1.00 H new ATOM 0 HB3 GLN A 31 -1.355 -11.875 -12.451 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -4.083 -11.631 -12.884 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -3.442 -10.609 -14.155 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -1.806 -11.465 -15.582 1.00 1.00 H new ATOM 0 HE22 GLN A 31 -1.804 -13.185 -15.988 1.00 1.00 H new ATOM 493 N GLN A 32 -1.751 -9.555 -9.170 1.00 1.00 N ATOM 494 CA GLN A 32 -0.814 -9.451 -8.065 1.00 1.00 C ATOM 495 C GLN A 32 -1.554 -9.100 -6.772 1.00 1.00 C ATOM 496 O GLN A 32 -1.175 -9.552 -5.693 1.00 1.00 O ATOM 497 CB GLN A 32 0.279 -8.424 -8.366 1.00 1.00 C ATOM 498 CG GLN A 32 0.024 -7.115 -7.616 1.00 1.00 C ATOM 499 CD GLN A 32 0.533 -7.201 -6.175 1.00 1.00 C ATOM 500 OE1 GLN A 32 -0.222 -7.146 -5.219 1.00 1.00 O ATOM 501 NE2 GLN A 32 1.852 -7.338 -6.076 1.00 1.00 N ATOM 0 H GLN A 32 -2.682 -9.186 -8.976 1.00 1.00 H new ATOM 0 HA GLN A 32 -0.331 -10.419 -7.933 1.00 1.00 H new ATOM 0 HB2 GLN A 32 1.250 -8.827 -8.080 1.00 1.00 H new ATOM 0 HB3 GLN A 32 0.317 -8.231 -9.438 1.00 1.00 H new ATOM 0 HG2 GLN A 32 0.520 -6.293 -8.132 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -1.043 -6.894 -7.616 1.00 1.00 H new ATOM 0 HE21 GLN A 32 2.425 -7.377 -6.919 1.00 1.00 H new ATOM 0 HE22 GLN A 32 2.290 -7.404 -5.157 1.00 1.00 H new ATOM 510 N TYR A 33 -2.598 -8.299 -6.925 1.00 1.00 N ATOM 511 CA TYR A 33 -3.491 -8.013 -5.815 1.00 1.00 C ATOM 512 C TYR A 33 -4.878 -8.611 -6.057 1.00 1.00 C ATOM 513 O TYR A 33 -5.887 -8.023 -5.674 1.00 1.00 O ATOM 514 CB TYR A 33 -3.610 -6.488 -5.752 1.00 1.00 C ATOM 515 CG TYR A 33 -3.209 -5.889 -4.403 1.00 1.00 C ATOM 516 CD1 TYR A 33 -4.036 -6.037 -3.308 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.021 -5.197 -4.280 1.00 1.00 C ATOM 518 CE1 TYR A 33 -3.659 -5.472 -2.038 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.643 -4.633 -3.010 1.00 1.00 C ATOM 520 CZ TYR A 33 -2.482 -4.798 -1.952 1.00 1.00 C ATOM 521 OH TYR A 33 -2.125 -4.264 -0.753 1.00 1.00 O ATOM 0 H TYR A 33 -2.846 -7.839 -7.801 1.00 1.00 H new ATOM 0 HA TYR A 33 -3.103 -8.441 -4.891 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.985 -6.052 -6.532 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.639 -6.204 -5.973 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -4.966 -6.577 -3.404 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -1.374 -5.078 -5.137 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -4.297 -5.581 -1.174 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -0.715 -4.092 -2.900 1.00 1.00 H new ATOM 0 HH TYR A 33 -2.589 -4.739 -0.032 1.00 1.00 H new ATOM 531 N GLY A 34 -4.882 -9.774 -6.693 1.00 1.00 N ATOM 532 CA GLY A 34 -6.001 -10.692 -6.565 1.00 1.00 C ATOM 533 C GLY A 34 -6.857 -10.694 -7.833 1.00 1.00 C ATOM 534 O GLY A 34 -7.157 -9.636 -8.385 1.00 1.00 O ATOM 0 H GLY A 34 -4.129 -10.101 -7.298 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -5.630 -11.698 -6.371 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -6.613 -10.408 -5.709 1.00 1.00 H new ATOM 538 N LYS A 35 -7.226 -11.893 -8.258 1.00 1.00 N ATOM 539 CA LYS A 35 -7.826 -12.070 -9.569 1.00 1.00 C ATOM 540 C LYS A 35 -9.305 -11.682 -9.506 1.00 1.00 C ATOM 541 O LYS A 35 -10.180 -12.529 -9.678 1.00 1.00 O ATOM 542 CB LYS A 35 -7.585 -13.492 -10.081 1.00 1.00 C ATOM 543 CG LYS A 35 -6.090 -13.764 -10.260 1.00 1.00 C ATOM 544 CD LYS A 35 -5.855 -15.131 -10.905 1.00 1.00 C ATOM 545 CE LYS A 35 -4.398 -15.569 -10.747 1.00 1.00 C ATOM 546 NZ LYS A 35 -3.500 -14.662 -11.495 1.00 1.00 N ATOM 0 H LYS A 35 -7.121 -12.752 -7.717 1.00 1.00 H new ATOM 0 HA LYS A 35 -7.354 -11.409 -10.296 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -8.008 -14.211 -9.380 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -8.100 -13.632 -11.031 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -5.647 -12.985 -10.880 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -5.591 -13.724 -9.292 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -6.512 -15.871 -10.448 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -6.112 -15.087 -11.963 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -4.125 -15.571 -9.692 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -4.278 -16.590 -11.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -2.528 -15.030 -11.462 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -3.814 -14.602 -12.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -3.526 -13.715 -11.065 1.00 1.00 H new ATOM 560 N GLY A 36 -9.537 -10.402 -9.258 1.00 1.00 N ATOM 561 CA GLY A 36 -10.895 -9.894 -9.155 1.00 1.00 C ATOM 562 C GLY A 36 -10.899 -8.376 -8.966 1.00 1.00 C ATOM 563 O GLY A 36 -11.699 -7.673 -9.582 1.00 1.00 O ATOM 0 H GLY A 36 -8.808 -9.701 -9.125 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.453 -10.154 -10.054 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.403 -10.370 -8.316 1.00 1.00 H new ATOM 567 N ALA A 37 -9.998 -7.916 -8.111 1.00 1.00 N ATOM 568 CA ALA A 37 -9.899 -6.495 -7.820 1.00 1.00 C ATOM 569 C ALA A 37 -9.560 -5.739 -9.107 1.00 1.00 C ATOM 570 O ALA A 37 -9.062 -6.327 -10.064 1.00 1.00 O ATOM 571 CB ALA A 37 -8.859 -6.270 -6.721 1.00 1.00 C ATOM 0 H ALA A 37 -9.330 -8.502 -7.610 1.00 1.00 H new ATOM 0 HA ALA A 37 -10.850 -6.111 -7.452 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -8.785 -5.205 -6.503 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -9.160 -6.805 -5.820 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.890 -6.640 -7.056 1.00 1.00 H new ATOM 577 N GLY A 38 -9.846 -4.444 -9.087 1.00 1.00 N ATOM 578 CA GLY A 38 -9.585 -3.602 -10.242 1.00 1.00 C ATOM 579 C GLY A 38 -8.924 -2.287 -9.824 1.00 1.00 C ATOM 580 O GLY A 38 -8.577 -2.107 -8.658 1.00 1.00 O ATOM 0 H GLY A 38 -10.256 -3.958 -8.289 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -8.940 -4.131 -10.943 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.519 -3.394 -10.763 1.00 1.00 H new ATOM 584 N GLY A 39 -8.772 -1.403 -10.798 1.00 1.00 N ATOM 585 CA GLY A 39 -7.877 -0.268 -10.646 1.00 1.00 C ATOM 586 C GLY A 39 -7.765 0.521 -11.952 1.00 1.00 C ATOM 587 O GLY A 39 -8.412 0.184 -12.943 1.00 1.00 O ATOM 0 H GLY A 39 -9.253 -1.449 -11.696 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.243 0.384 -9.853 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.890 -0.617 -10.342 1.00 1.00 H new ATOM 591 N TYR A 40 -6.942 1.558 -11.911 1.00 1.00 N ATOM 592 CA TYR A 40 -6.627 2.312 -13.113 1.00 1.00 C ATOM 593 C TYR A 40 -5.351 3.135 -12.925 1.00 1.00 C ATOM 594 O TYR A 40 -4.798 3.189 -11.827 1.00 1.00 O ATOM 595 CB TYR A 40 -7.805 3.263 -13.334 1.00 1.00 C ATOM 596 CG TYR A 40 -8.387 3.842 -12.043 1.00 1.00 C ATOM 597 CD1 TYR A 40 -7.740 4.877 -11.397 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.560 3.331 -11.524 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.289 5.422 -10.182 1.00 1.00 C ATOM 600 CE2 TYR A 40 -10.107 3.876 -10.309 1.00 1.00 C ATOM 601 CZ TYR A 40 -9.446 4.895 -9.699 1.00 1.00 C ATOM 602 OH TYR A 40 -9.963 5.410 -8.551 1.00 1.00 O ATOM 0 H TYR A 40 -6.483 1.894 -11.064 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.467 1.641 -13.957 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.481 4.083 -13.975 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.592 2.732 -13.869 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.823 5.278 -11.803 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.067 2.522 -12.030 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -7.793 6.231 -9.666 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.023 3.484 -9.891 1.00 1.00 H new ATOM 0 HH TYR A 40 -9.497 5.024 -7.780 1.00 1.00 H new ATOM 612 N CYS A 41 -4.920 3.754 -14.014 1.00 1.00 N ATOM 613 CA CYS A 41 -3.640 4.443 -14.026 1.00 1.00 C ATOM 614 C CYS A 41 -3.892 5.929 -13.760 1.00 1.00 C ATOM 615 O CYS A 41 -4.435 6.633 -14.610 1.00 1.00 O ATOM 616 CB CYS A 41 -2.889 4.218 -15.339 1.00 1.00 C ATOM 617 SG CYS A 41 -1.178 4.869 -15.366 1.00 1.00 S ATOM 0 H CYS A 41 -5.434 3.793 -14.894 1.00 1.00 H new ATOM 0 HA CYS A 41 -2.999 4.038 -13.243 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -2.859 3.148 -15.545 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -3.453 4.683 -16.148 1.00 1.00 H new ATOM 622 N TYR A 42 -3.485 6.363 -12.575 1.00 1.00 N ATOM 623 CA TYR A 42 -3.422 7.784 -12.279 1.00 1.00 C ATOM 624 C TYR A 42 -2.121 8.395 -12.805 1.00 1.00 C ATOM 625 O TYR A 42 -1.421 7.779 -13.608 1.00 1.00 O ATOM 626 CB TYR A 42 -3.443 7.898 -10.754 1.00 1.00 C ATOM 627 CG TYR A 42 -4.592 8.752 -10.211 1.00 1.00 C ATOM 628 CD1 TYR A 42 -5.900 8.370 -10.431 1.00 1.00 C ATOM 629 CD2 TYR A 42 -4.319 9.904 -9.502 1.00 1.00 C ATOM 630 CE1 TYR A 42 -6.980 9.174 -9.920 1.00 1.00 C ATOM 631 CE2 TYR A 42 -5.399 10.708 -8.991 1.00 1.00 C ATOM 632 CZ TYR A 42 -6.676 10.302 -9.225 1.00 1.00 C ATOM 633 OH TYR A 42 -7.696 11.062 -8.743 1.00 1.00 O ATOM 0 H TYR A 42 -3.196 5.755 -11.809 1.00 1.00 H new ATOM 0 HA TYR A 42 -4.252 8.312 -12.750 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -3.513 6.898 -10.326 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -2.497 8.323 -10.418 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.113 7.469 -10.986 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -3.295 10.203 -9.330 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -8.008 8.887 -10.085 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -5.200 11.612 -8.435 1.00 1.00 H new ATOM 0 HH TYR A 42 -7.330 11.836 -8.266 1.00 1.00 H new ATOM 643 N ALA A 43 -1.838 9.600 -12.334 1.00 1.00 N ATOM 644 CA ALA A 43 -0.536 10.204 -12.555 1.00 1.00 C ATOM 645 C ALA A 43 0.556 9.238 -12.087 1.00 1.00 C ATOM 646 O ALA A 43 1.041 9.344 -10.961 1.00 1.00 O ATOM 647 CB ALA A 43 -0.469 11.553 -11.837 1.00 1.00 C ATOM 0 H ALA A 43 -2.489 10.175 -11.799 1.00 1.00 H new ATOM 0 HA ALA A 43 -0.376 10.393 -13.617 1.00 1.00 H new ATOM 0 HB1 ALA A 43 0.509 12.006 -12.003 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -1.245 12.212 -12.227 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -0.623 11.404 -10.768 1.00 1.00 H new ATOM 653 N PHE A 44 0.909 8.320 -12.974 1.00 1.00 N ATOM 654 CA PHE A 44 2.105 7.518 -12.784 1.00 1.00 C ATOM 655 C PHE A 44 2.050 6.758 -11.457 1.00 1.00 C ATOM 656 O PHE A 44 3.052 6.665 -10.749 1.00 1.00 O ATOM 657 CB PHE A 44 3.292 8.482 -12.758 1.00 1.00 C ATOM 658 CG PHE A 44 3.254 9.546 -13.856 1.00 1.00 C ATOM 659 CD1 PHE A 44 3.003 9.185 -15.144 1.00 1.00 C ATOM 660 CD2 PHE A 44 3.472 10.852 -13.546 1.00 1.00 C ATOM 661 CE1 PHE A 44 2.968 10.173 -16.163 1.00 1.00 C ATOM 662 CE2 PHE A 44 3.437 11.839 -14.567 1.00 1.00 C ATOM 663 CZ PHE A 44 3.185 11.479 -15.853 1.00 1.00 C ATOM 0 H PHE A 44 0.388 8.114 -13.826 1.00 1.00 H new ATOM 0 HA PHE A 44 2.194 6.787 -13.587 1.00 1.00 H new ATOM 0 HB2 PHE A 44 3.323 8.977 -11.787 1.00 1.00 H new ATOM 0 HB3 PHE A 44 4.214 7.909 -12.853 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.831 8.148 -15.391 1.00 1.00 H new ATOM 0 HD2 PHE A 44 3.672 11.139 -12.524 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.769 9.887 -17.185 1.00 1.00 H new ATOM 0 HE2 PHE A 44 3.611 12.876 -14.321 1.00 1.00 H new ATOM 0 HZ PHE A 44 3.157 12.230 -16.629 1.00 1.00 H new ATOM 673 N ALA A 45 0.870 6.235 -11.160 1.00 1.00 N ATOM 674 CA ALA A 45 0.747 5.180 -10.168 1.00 1.00 C ATOM 675 C ALA A 45 -0.594 4.467 -10.352 1.00 1.00 C ATOM 676 O ALA A 45 -1.581 5.085 -10.747 1.00 1.00 O ATOM 677 CB ALA A 45 0.905 5.774 -8.767 1.00 1.00 C ATOM 0 H ALA A 45 -0.010 6.522 -11.589 1.00 1.00 H new ATOM 0 HA ALA A 45 1.535 4.438 -10.297 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.813 4.982 -8.024 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.885 6.242 -8.679 1.00 1.00 H new ATOM 0 HB3 ALA A 45 0.130 6.522 -8.599 1.00 1.00 H new ATOM 683 N CYS A 46 -0.586 3.175 -10.055 1.00 1.00 N ATOM 684 CA CYS A 46 -1.777 2.361 -10.230 1.00 1.00 C ATOM 685 C CYS A 46 -2.625 2.471 -8.961 1.00 1.00 C ATOM 686 O CYS A 46 -2.227 1.992 -7.901 1.00 1.00 O ATOM 687 CB CYS A 46 -1.426 0.908 -10.556 1.00 1.00 C ATOM 688 SG CYS A 46 -0.698 0.648 -12.215 1.00 1.00 S ATOM 0 H CYS A 46 0.225 2.673 -9.695 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.349 2.728 -11.082 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.726 0.541 -9.806 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.329 0.303 -10.472 1.00 1.00 H new ATOM 693 N TRP A 47 -3.778 3.107 -9.112 1.00 1.00 N ATOM 694 CA TRP A 47 -4.757 3.144 -8.040 1.00 1.00 C ATOM 695 C TRP A 47 -5.657 1.913 -8.178 1.00 1.00 C ATOM 696 O TRP A 47 -6.324 1.739 -9.196 1.00 1.00 O ATOM 697 CB TRP A 47 -5.538 4.459 -8.056 1.00 1.00 C ATOM 698 CG TRP A 47 -6.614 4.559 -6.972 1.00 1.00 C ATOM 699 CD1 TRP A 47 -7.822 3.980 -6.954 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.528 5.308 -5.742 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.520 4.300 -5.806 1.00 1.00 N ATOM 702 CE2 TRP A 47 -7.707 5.133 -5.046 1.00 1.00 C ATOM 703 CE3 TRP A 47 -5.489 6.107 -5.234 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -7.959 5.726 -3.803 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -5.756 6.692 -3.990 1.00 1.00 C ATOM 706 CH2 TRP A 47 -6.937 6.526 -3.277 1.00 1.00 C ATOM 0 H TRP A 47 -4.055 3.600 -9.961 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.265 3.109 -7.068 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -4.838 5.286 -7.936 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.008 4.578 -9.032 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.202 3.343 -7.739 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.458 3.984 -5.561 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -4.559 6.258 -5.761 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -8.891 5.575 -3.278 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -4.990 7.316 -3.554 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.066 7.012 -2.321 1.00 1.00 H new ATOM 717 N CYS A 48 -5.645 1.092 -7.138 1.00 1.00 N ATOM 718 CA CYS A 48 -6.546 -0.046 -7.074 1.00 1.00 C ATOM 719 C CYS A 48 -7.782 0.365 -6.269 1.00 1.00 C ATOM 720 O CYS A 48 -7.711 1.259 -5.428 1.00 1.00 O ATOM 721 CB CYS A 48 -5.861 -1.277 -6.478 1.00 1.00 C ATOM 722 SG CYS A 48 -4.876 -2.258 -7.667 1.00 1.00 S ATOM 0 H CYS A 48 -5.026 1.192 -6.334 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.848 -0.332 -8.082 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -5.209 -0.955 -5.666 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.622 -1.922 -6.039 1.00 1.00 H new ATOM 727 N THR A 49 -8.886 -0.308 -6.557 1.00 1.00 N ATOM 728 CA THR A 49 -10.162 0.057 -5.964 1.00 1.00 C ATOM 729 C THR A 49 -11.106 -1.146 -5.948 1.00 1.00 C ATOM 730 O THR A 49 -12.203 -1.087 -6.501 1.00 1.00 O ATOM 731 CB THR A 49 -10.716 1.254 -6.738 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.066 1.359 -6.295 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.836 0.978 -8.237 1.00 1.00 C ATOM 0 H THR A 49 -8.924 -1.104 -7.193 1.00 1.00 H new ATOM 0 HA THR A 49 -10.045 0.351 -4.921 1.00 1.00 H new ATOM 0 HB THR A 49 -10.071 2.118 -6.579 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.600 0.644 -6.700 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.234 1.860 -8.739 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.852 0.742 -8.643 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.507 0.135 -8.399 1.00 1.00 H new ATOM 741 N HIS A 50 -10.646 -2.211 -5.306 1.00 1.00 N ATOM 742 CA HIS A 50 -11.553 -3.217 -4.779 1.00 1.00 C ATOM 743 C HIS A 50 -10.754 -4.282 -4.026 1.00 1.00 C ATOM 744 O HIS A 50 -10.778 -5.455 -4.393 1.00 1.00 O ATOM 745 CB HIS A 50 -12.421 -3.804 -5.893 1.00 1.00 C ATOM 746 CG HIS A 50 -13.831 -3.263 -5.924 1.00 1.00 C ATOM 747 ND1 HIS A 50 -14.673 -3.306 -4.826 1.00 1.00 N ATOM 748 CD2 HIS A 50 -14.536 -2.667 -6.927 1.00 1.00 C ATOM 749 CE1 HIS A 50 -15.831 -2.758 -5.166 1.00 1.00 C ATOM 750 NE2 HIS A 50 -15.744 -2.364 -6.469 1.00 1.00 N ATOM 0 H HIS A 50 -9.657 -2.399 -5.139 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.240 -2.757 -4.069 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.945 -3.605 -6.853 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -12.461 -4.887 -5.776 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -14.173 -2.474 -7.926 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -16.692 -2.644 -4.524 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -16.485 -1.911 -7.003 1.00 1.00 H new ATOM 758 N LEU A 51 -10.068 -3.835 -2.984 1.00 1.00 N ATOM 759 CA LEU A 51 -9.049 -4.657 -2.351 1.00 1.00 C ATOM 760 C LEU A 51 -9.637 -5.320 -1.105 1.00 1.00 C ATOM 761 O LEU A 51 -10.828 -5.186 -0.829 1.00 1.00 O ATOM 762 CB LEU A 51 -7.792 -3.831 -2.074 1.00 1.00 C ATOM 763 CG LEU A 51 -7.217 -3.063 -3.265 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.211 -2.006 -2.804 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.609 -4.020 -4.294 1.00 1.00 C ATOM 0 H LEU A 51 -10.197 -2.915 -2.562 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.735 -5.458 -3.020 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.018 -3.117 -1.282 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.020 -4.498 -1.691 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.035 -2.537 -3.757 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.818 -1.475 -3.671 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -6.706 -1.298 -2.139 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.392 -2.491 -2.273 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.208 -3.448 -5.130 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.807 -4.593 -3.828 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.379 -4.701 -4.657 1.00 1.00 H new ATOM 777 N TYR A 52 -8.775 -6.022 -0.385 1.00 1.00 N ATOM 778 CA TYR A 52 -9.149 -6.563 0.911 1.00 1.00 C ATOM 779 C TYR A 52 -8.488 -5.777 2.046 1.00 1.00 C ATOM 780 O TYR A 52 -7.767 -4.812 1.799 1.00 1.00 O ATOM 781 CB TYR A 52 -8.629 -8.002 0.932 1.00 1.00 C ATOM 782 CG TYR A 52 -7.559 -8.293 -0.123 1.00 1.00 C ATOM 783 CD1 TYR A 52 -6.240 -7.973 0.127 1.00 1.00 C ATOM 784 CD2 TYR A 52 -7.913 -8.874 -1.322 1.00 1.00 C ATOM 785 CE1 TYR A 52 -5.233 -8.246 -0.866 1.00 1.00 C ATOM 786 CE2 TYR A 52 -6.907 -9.148 -2.315 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.616 -8.820 -2.038 1.00 1.00 C ATOM 788 OH TYR A 52 -4.665 -9.078 -2.976 1.00 1.00 O ATOM 0 H TYR A 52 -7.819 -6.229 -0.674 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.228 -6.506 1.054 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.219 -8.215 1.919 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.467 -8.683 0.782 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -5.963 -7.518 1.067 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -8.946 -9.124 -1.517 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -4.197 -8.000 -0.684 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -7.171 -9.603 -3.258 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.225 -8.241 -3.235 1.00 1.00 H new ATOM 798 N GLU A 53 -8.757 -6.222 3.264 1.00 1.00 N ATOM 799 CA GLU A 53 -8.382 -5.454 4.440 1.00 1.00 C ATOM 800 C GLU A 53 -6.860 -5.433 4.598 1.00 1.00 C ATOM 801 O GLU A 53 -6.328 -4.687 5.418 1.00 1.00 O ATOM 802 CB GLU A 53 -9.056 -6.010 5.696 1.00 1.00 C ATOM 803 CG GLU A 53 -9.394 -4.887 6.679 1.00 1.00 C ATOM 804 CD GLU A 53 -10.575 -4.054 6.177 1.00 1.00 C ATOM 805 OE1 GLU A 53 -11.670 -4.642 6.050 1.00 1.00 O ATOM 806 OE2 GLU A 53 -10.355 -2.848 5.934 1.00 1.00 O ATOM 0 H GLU A 53 -9.230 -7.104 3.463 1.00 1.00 H new ATOM 0 HA GLU A 53 -8.728 -4.429 4.305 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -9.966 -6.542 5.419 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.397 -6.733 6.177 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -9.633 -5.312 7.654 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -8.524 -4.245 6.816 1.00 1.00 H new ATOM 813 N GLN A 54 -6.203 -6.262 3.800 1.00 1.00 N ATOM 814 CA GLN A 54 -4.756 -6.203 3.689 1.00 1.00 C ATOM 815 C GLN A 54 -4.350 -5.276 2.542 1.00 1.00 C ATOM 816 O GLN A 54 -3.312 -5.479 1.912 1.00 1.00 O ATOM 817 CB GLN A 54 -4.163 -7.601 3.500 1.00 1.00 C ATOM 818 CG GLN A 54 -4.114 -8.360 4.827 1.00 1.00 C ATOM 819 CD GLN A 54 -3.599 -9.786 4.625 1.00 1.00 C ATOM 820 OE1 GLN A 54 -3.273 -10.205 3.527 1.00 1.00 O ATOM 821 NE2 GLN A 54 -3.544 -10.505 5.743 1.00 1.00 N ATOM 0 H GLN A 54 -6.646 -6.978 3.224 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.356 -5.797 4.618 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -4.761 -8.159 2.780 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.158 -7.521 3.086 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -3.468 -7.832 5.528 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -5.109 -8.389 5.271 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -3.833 -10.092 6.630 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.213 -11.469 5.713 1.00 1.00 H new ATOM 830 N ALA A 55 -5.188 -4.277 2.304 1.00 1.00 N ATOM 831 CA ALA A 55 -4.799 -3.157 1.465 1.00 1.00 C ATOM 832 C ALA A 55 -3.870 -2.232 2.254 1.00 1.00 C ATOM 833 O ALA A 55 -4.332 -1.342 2.966 1.00 1.00 O ATOM 834 CB ALA A 55 -6.052 -2.435 0.964 1.00 1.00 C ATOM 0 H ALA A 55 -6.135 -4.221 2.678 1.00 1.00 H new ATOM 0 HA ALA A 55 -4.251 -3.506 0.590 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -5.760 -1.594 0.334 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -6.664 -3.127 0.385 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -6.626 -2.069 1.815 1.00 1.00 H new ATOM 840 N ILE A 56 -2.576 -2.475 2.100 1.00 1.00 N ATOM 841 CA ILE A 56 -1.587 -1.435 2.329 1.00 1.00 C ATOM 842 C ILE A 56 -1.335 -0.682 1.021 1.00 1.00 C ATOM 843 O ILE A 56 -1.316 -1.283 -0.053 1.00 1.00 O ATOM 844 CB ILE A 56 -0.322 -2.026 2.951 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.667 -2.954 4.118 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.653 -0.922 3.366 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.468 -2.213 5.189 1.00 1.00 C ATOM 0 H ILE A 56 -2.190 -3.377 1.820 1.00 1.00 H new ATOM 0 HA ILE A 56 -1.959 -0.708 3.051 1.00 1.00 H new ATOM 0 HB ILE A 56 0.179 -2.631 2.195 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -1.242 -3.805 3.753 1.00 1.00 H new ATOM 0 HG13 ILE A 56 0.249 -3.352 4.554 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.544 -1.370 3.806 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.935 -0.337 2.490 1.00 1.00 H new ATOM 0 HG23 ILE A 56 0.175 -0.271 4.098 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -1.700 -2.895 6.007 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -0.881 -1.377 5.569 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -2.395 -1.838 4.755 1.00 1.00 H new ATOM 859 N VAL A 57 -1.148 0.623 1.153 1.00 1.00 N ATOM 860 CA VAL A 57 -1.208 1.508 0.002 1.00 1.00 C ATOM 861 C VAL A 57 -0.032 2.487 0.055 1.00 1.00 C ATOM 862 O VAL A 57 0.363 2.930 1.131 1.00 1.00 O ATOM 863 CB VAL A 57 -2.567 2.209 -0.049 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.293 2.096 1.294 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.414 3.673 -0.467 1.00 1.00 C ATOM 0 H VAL A 57 -0.955 1.089 2.040 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.116 0.938 -0.923 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.174 1.707 -0.802 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.256 2.602 1.231 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.451 1.045 1.535 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -2.690 2.560 2.074 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.395 4.148 -0.495 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.780 4.192 0.252 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.958 3.723 -1.456 1.00 1.00 H new ATOM 875 N TRP A 58 0.493 2.793 -1.122 1.00 1.00 N ATOM 876 CA TRP A 58 1.597 3.732 -1.226 1.00 1.00 C ATOM 877 C TRP A 58 1.110 5.092 -0.721 1.00 1.00 C ATOM 878 O TRP A 58 -0.079 5.396 -0.793 1.00 1.00 O ATOM 879 CB TRP A 58 2.139 3.785 -2.657 1.00 1.00 C ATOM 880 CG TRP A 58 3.200 4.864 -2.880 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.533 4.730 -2.843 1.00 1.00 C ATOM 882 CD2 TRP A 58 2.962 6.256 -3.179 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.169 5.929 -3.096 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.184 6.886 -3.307 1.00 1.00 C ATOM 885 CE3 TRP A 58 1.755 6.959 -3.338 1.00 1.00 C ATOM 886 CZ2 TRP A 58 4.315 8.249 -3.597 1.00 1.00 C ATOM 887 CZ3 TRP A 58 1.904 8.320 -3.628 1.00 1.00 C ATOM 888 CH2 TRP A 58 3.127 8.969 -3.759 1.00 1.00 C ATOM 0 H TRP A 58 0.175 2.408 -2.011 1.00 1.00 H new ATOM 0 HA TRP A 58 2.436 3.411 -0.608 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.564 2.814 -2.910 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.310 3.958 -3.343 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.045 3.801 -2.641 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.177 6.084 -3.123 1.00 1.00 H new ATOM 0 HE3 TRP A 58 0.789 6.486 -3.244 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 5.282 8.720 -3.691 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 1.007 8.907 -3.759 1.00 1.00 H new ATOM 0 HH2 TRP A 58 3.159 10.025 -3.985 1.00 1.00 H new ATOM 899 N PRO A 59 2.080 5.895 -0.208 1.00 1.00 N ATOM 900 CA PRO A 59 3.400 5.372 0.099 1.00 1.00 C ATOM 901 C PRO A 59 3.373 4.529 1.376 1.00 1.00 C ATOM 902 O PRO A 59 2.348 4.452 2.052 1.00 1.00 O ATOM 903 CB PRO A 59 4.292 6.597 0.215 1.00 1.00 C ATOM 904 CG PRO A 59 3.357 7.775 0.429 1.00 1.00 C ATOM 905 CD PRO A 59 1.946 7.317 0.094 1.00 1.00 C ATOM 0 HA PRO A 59 3.773 4.696 -0.670 1.00 1.00 H new ATOM 0 HB2 PRO A 59 4.989 6.495 1.047 1.00 1.00 H new ATOM 0 HB3 PRO A 59 4.890 6.732 -0.687 1.00 1.00 H new ATOM 0 HG2 PRO A 59 3.411 8.123 1.461 1.00 1.00 H new ATOM 0 HG3 PRO A 59 3.647 8.613 -0.205 1.00 1.00 H new ATOM 0 HD2 PRO A 59 1.267 7.482 0.931 1.00 1.00 H new ATOM 0 HD3 PRO A 59 1.543 7.866 -0.757 1.00 1.00 H new ATOM 913 N LEU A 60 4.512 3.918 1.669 1.00 1.00 N ATOM 914 CA LEU A 60 4.804 3.487 3.025 1.00 1.00 C ATOM 915 C LEU A 60 4.852 4.710 3.945 1.00 1.00 C ATOM 916 O LEU A 60 5.164 5.813 3.501 1.00 1.00 O ATOM 917 CB LEU A 60 6.079 2.643 3.057 1.00 1.00 C ATOM 918 CG LEU A 60 6.079 1.395 2.173 1.00 1.00 C ATOM 919 CD1 LEU A 60 7.507 0.953 1.848 1.00 1.00 C ATOM 920 CD2 LEU A 60 5.264 0.269 2.813 1.00 1.00 C ATOM 0 H LEU A 60 5.244 3.711 0.989 1.00 1.00 H new ATOM 0 HA LEU A 60 4.011 2.838 3.397 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.916 3.274 2.760 1.00 1.00 H new ATOM 0 HB3 LEU A 60 6.261 2.335 4.087 1.00 1.00 H new ATOM 0 HG LEU A 60 5.596 1.646 1.229 1.00 1.00 H new ATOM 0 HD11 LEU A 60 7.478 0.064 1.218 1.00 1.00 H new ATOM 0 HD12 LEU A 60 8.025 1.754 1.321 1.00 1.00 H new ATOM 0 HD13 LEU A 60 8.037 0.726 2.773 1.00 1.00 H new ATOM 0 HD21 LEU A 60 5.280 -0.606 2.164 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.696 0.012 3.780 1.00 1.00 H new ATOM 0 HD23 LEU A 60 4.234 0.599 2.952 1.00 1.00 H new ATOM 932 N PRO A 61 4.530 4.465 5.243 1.00 1.00 N ATOM 933 CA PRO A 61 4.039 5.527 6.105 1.00 1.00 C ATOM 934 C PRO A 61 5.176 6.459 6.528 1.00 1.00 C ATOM 935 O PRO A 61 4.992 7.673 6.602 1.00 1.00 O ATOM 936 CB PRO A 61 3.390 4.812 7.280 1.00 1.00 C ATOM 937 CG PRO A 61 3.946 3.397 7.266 1.00 1.00 C ATOM 938 CD PRO A 61 4.622 3.175 5.922 1.00 1.00 C ATOM 0 HA PRO A 61 3.321 6.176 5.605 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.623 5.314 8.219 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.304 4.806 7.182 1.00 1.00 H new ATOM 0 HG2 PRO A 61 4.659 3.259 8.079 1.00 1.00 H new ATOM 0 HG3 PRO A 61 3.147 2.671 7.416 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.660 2.866 6.047 1.00 1.00 H new ATOM 0 HD3 PRO A 61 4.123 2.391 5.352 1.00 1.00 H new ATOM 946 N ASN A 62 6.325 5.857 6.792 1.00 1.00 N ATOM 947 CA ASN A 62 7.476 6.611 7.259 1.00 1.00 C ATOM 948 C ASN A 62 8.720 6.163 6.491 1.00 1.00 C ATOM 949 O ASN A 62 9.827 6.180 7.030 1.00 1.00 O ATOM 950 CB ASN A 62 7.726 6.368 8.749 1.00 1.00 C ATOM 951 CG ASN A 62 7.978 4.885 9.028 1.00 1.00 C ATOM 952 OD1 ASN A 62 7.670 4.016 8.228 1.00 1.00 O ATOM 953 ND2 ASN A 62 8.550 4.645 10.204 1.00 1.00 N ATOM 0 H ASN A 62 6.484 4.855 6.691 1.00 1.00 H new ATOM 0 HA ASN A 62 7.274 7.670 7.095 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.584 6.954 9.078 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.867 6.709 9.326 1.00 1.00 H new ATOM 0 HD21 ASN A 62 8.757 3.686 10.484 1.00 1.00 H new ATOM 0 HD22 ASN A 62 8.782 5.420 10.826 1.00 1.00 H new ATOM 960 N LYS A 63 8.499 5.772 5.245 1.00 1.00 N ATOM 961 CA LYS A 63 9.594 5.355 4.385 1.00 1.00 C ATOM 962 C LYS A 63 9.098 5.269 2.941 1.00 1.00 C ATOM 963 O LYS A 63 9.178 4.212 2.316 1.00 1.00 O ATOM 964 CB LYS A 63 10.217 4.057 4.901 1.00 1.00 C ATOM 965 CG LYS A 63 9.142 3.000 5.165 1.00 1.00 C ATOM 966 CD LYS A 63 9.739 1.771 5.852 1.00 1.00 C ATOM 967 CE LYS A 63 8.638 0.860 6.400 1.00 1.00 C ATOM 968 NZ LYS A 63 8.151 1.363 7.704 1.00 1.00 N ATOM 0 H LYS A 63 7.577 5.735 4.810 1.00 1.00 H new ATOM 0 HA LYS A 63 10.395 6.094 4.403 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.933 3.678 4.172 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.771 4.255 5.819 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.356 3.424 5.789 1.00 1.00 H new ATOM 0 HG3 LYS A 63 8.678 2.705 4.224 1.00 1.00 H new ATOM 0 HD2 LYS A 63 10.355 1.217 5.143 1.00 1.00 H new ATOM 0 HD3 LYS A 63 10.393 2.086 6.665 1.00 1.00 H new ATOM 0 HE2 LYS A 63 7.812 0.811 5.691 1.00 1.00 H new ATOM 0 HE3 LYS A 63 9.020 -0.154 6.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 7.226 0.937 7.917 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 8.830 1.108 8.450 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 8.054 2.398 7.663 1.00 1.00 H new ATOM 982 N ARG A 64 8.596 6.393 2.453 1.00 1.00 N ATOM 983 CA ARG A 64 8.096 6.460 1.090 1.00 1.00 C ATOM 984 C ARG A 64 9.237 6.239 0.095 1.00 1.00 C ATOM 985 O ARG A 64 10.408 6.339 0.456 1.00 1.00 O ATOM 986 CB ARG A 64 7.439 7.813 0.809 1.00 1.00 C ATOM 987 CG ARG A 64 8.474 8.939 0.829 1.00 1.00 C ATOM 988 CD ARG A 64 7.798 10.307 0.715 1.00 1.00 C ATOM 989 NE ARG A 64 8.819 11.379 0.726 1.00 1.00 N ATOM 990 CZ ARG A 64 8.536 12.686 0.652 1.00 1.00 C ATOM 991 NH1 ARG A 64 7.263 13.091 0.546 1.00 1.00 N ATOM 992 NH2 ARG A 64 9.525 13.589 0.684 1.00 1.00 N ATOM 0 H ARG A 64 8.524 7.265 2.977 1.00 1.00 H new ATOM 0 HA ARG A 64 7.349 5.675 0.973 1.00 1.00 H new ATOM 0 HB2 ARG A 64 6.944 7.786 -0.162 1.00 1.00 H new ATOM 0 HB3 ARG A 64 6.668 8.009 1.555 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.052 8.891 1.752 1.00 1.00 H new ATOM 0 HG3 ARG A 64 9.177 8.807 0.006 1.00 1.00 H new ATOM 0 HD2 ARG A 64 7.215 10.358 -0.205 1.00 1.00 H new ATOM 0 HD3 ARG A 64 7.102 10.448 1.542 1.00 1.00 H new ATOM 0 HE ARG A 64 9.799 11.105 0.794 1.00 1.00 H new ATOM 0 HH11 ARG A 64 6.510 12.404 0.522 1.00 1.00 H new ATOM 0 HH12 ARG A 64 7.048 14.086 0.490 1.00 1.00 H new ATOM 0 HH21 ARG A 64 10.494 13.281 0.765 1.00 1.00 H new ATOM 0 HH22 ARG A 64 9.309 14.584 0.628 1.00 1.00 H new ATOM 1006 N CYS A 65 8.854 5.942 -1.139 1.00 1.00 N ATOM 1007 CA CYS A 65 9.813 5.895 -2.229 1.00 1.00 C ATOM 1008 C CYS A 65 10.480 7.267 -2.341 1.00 1.00 C ATOM 1009 O CYS A 65 9.801 8.280 -2.496 1.00 1.00 O ATOM 1010 CB CYS A 65 9.155 5.471 -3.544 1.00 1.00 C ATOM 1011 SG CYS A 65 10.316 5.229 -4.939 1.00 1.00 S ATOM 0 H CYS A 65 7.893 5.732 -1.407 1.00 1.00 H new ATOM 0 HA CYS A 65 10.570 5.140 -2.018 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.609 4.542 -3.378 1.00 1.00 H new ATOM 0 HB3 CYS A 65 8.421 6.226 -3.827 1.00 1.00 H new ATOM 1016 N SER A 66 11.802 7.256 -2.258 1.00 1.00 N ATOM 1017 CA SER A 66 12.569 8.487 -2.357 1.00 1.00 C ATOM 1018 C SER A 66 12.532 9.011 -3.794 1.00 1.00 C ATOM 1019 O SER A 66 13.414 8.703 -4.595 1.00 1.00 O ATOM 1020 CB SER A 66 14.016 8.273 -1.907 1.00 1.00 C ATOM 1021 OG SER A 66 14.600 7.125 -2.517 1.00 1.00 O ATOM 0 H SER A 66 12.362 6.414 -2.123 1.00 1.00 H new ATOM 0 HA SER A 66 12.117 9.226 -1.695 1.00 1.00 H new ATOM 0 HB2 SER A 66 14.607 9.155 -2.154 1.00 1.00 H new ATOM 0 HB3 SER A 66 14.046 8.163 -0.823 1.00 1.00 H new ATOM 0 HG SER A 66 14.466 7.166 -3.487 1.00 1.00 H new HETATM 1027 N NH2 A 67 11.502 9.795 -4.078 1.00 1.00 N TER 1030 NH2 A 67