USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 553 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 Single : A 1 GLY N :NH3+ -124:sc= 0.0907 (180deg=0) USER MOD Single : A 2 SER OG : rot -10:sc= 0.444 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0109) USER MOD Single : A 10 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.12! C(o=-4.1!,f=-6.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.204 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -113:sc= -3.69! (180deg=-8.28!) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= -0.0218 (180deg=-0.297) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 41:sc= 0.507 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.59) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -121:sc= 0.355 (180deg=-0.036) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 39:sc= 0.494 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.516 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.838 -32.215 6.440 1.00 0.00 N ATOM 2 CA GLY A 1 -7.743 -31.651 5.673 1.00 0.00 C ATOM 3 C GLY A 1 -8.011 -31.671 4.181 1.00 0.00 C ATOM 4 O GLY A 1 -9.109 -32.014 3.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.167 -31.519 7.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.621 -32.459 5.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.512 -33.072 6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.569 -30.624 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.831 -32.209 5.883 1.00 0.00 H new ATOM 8 N SER A 2 -7.004 -31.301 3.396 1.00 0.00 N ATOM 9 CA SER A 2 -7.137 -31.272 1.944 1.00 0.00 C ATOM 10 C SER A 2 -8.506 -30.736 1.535 1.00 0.00 C ATOM 11 O SER A 2 -9.140 -31.258 0.618 1.00 0.00 O ATOM 12 CB SER A 2 -6.931 -32.673 1.364 1.00 0.00 C ATOM 13 OG SER A 2 -8.023 -33.520 1.676 1.00 0.00 O ATOM 0 H SER A 2 -6.087 -31.017 3.741 1.00 0.00 H new ATOM 0 HA SER A 2 -6.371 -30.606 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.814 -32.609 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.010 -33.102 1.759 1.00 0.00 H new ATOM 0 HG SER A 2 -8.600 -33.081 2.336 1.00 0.00 H new ATOM 19 N SER A 3 -8.955 -29.691 2.222 1.00 0.00 N ATOM 20 CA SER A 3 -10.250 -29.086 1.934 1.00 0.00 C ATOM 21 C SER A 3 -10.082 -27.649 1.450 1.00 0.00 C ATOM 22 O SER A 3 -9.310 -26.877 2.017 1.00 0.00 O ATOM 23 CB SER A 3 -11.139 -29.116 3.178 1.00 0.00 C ATOM 24 OG SER A 3 -12.405 -28.536 2.915 1.00 0.00 O ATOM 0 H SER A 3 -8.441 -29.245 2.982 1.00 0.00 H new ATOM 0 HA SER A 3 -10.726 -29.665 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.269 -30.146 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.651 -28.578 3.991 1.00 0.00 H new ATOM 0 HG SER A 3 -12.955 -28.569 3.726 1.00 0.00 H new ATOM 30 N GLY A 4 -10.812 -27.297 0.396 1.00 0.00 N ATOM 31 CA GLY A 4 -10.730 -25.954 -0.148 1.00 0.00 C ATOM 32 C GLY A 4 -12.014 -25.525 -0.831 1.00 0.00 C ATOM 33 O GLY A 4 -13.029 -26.218 -0.750 1.00 0.00 O ATOM 0 H GLY A 4 -11.459 -27.918 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.498 -25.254 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.908 -25.904 -0.862 1.00 0.00 H new ATOM 37 N SER A 5 -11.972 -24.380 -1.503 1.00 0.00 N ATOM 38 CA SER A 5 -13.142 -23.857 -2.198 1.00 0.00 C ATOM 39 C SER A 5 -12.749 -23.241 -3.537 1.00 0.00 C ATOM 40 O SER A 5 -11.627 -22.764 -3.708 1.00 0.00 O ATOM 41 CB SER A 5 -13.852 -22.814 -1.332 1.00 0.00 C ATOM 42 OG SER A 5 -15.064 -22.391 -1.933 1.00 0.00 O ATOM 0 H SER A 5 -11.139 -23.796 -1.581 1.00 0.00 H new ATOM 0 HA SER A 5 -13.823 -24.687 -2.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.058 -23.234 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.198 -21.955 -1.182 1.00 0.00 H new ATOM 0 HG SER A 5 -15.499 -21.726 -1.359 1.00 0.00 H new ATOM 48 N SER A 6 -13.682 -23.254 -4.484 1.00 0.00 N ATOM 49 CA SER A 6 -13.433 -22.700 -5.810 1.00 0.00 C ATOM 50 C SER A 6 -14.494 -21.666 -6.174 1.00 0.00 C ATOM 51 O SER A 6 -15.665 -21.813 -5.828 1.00 0.00 O ATOM 52 CB SER A 6 -13.412 -23.817 -6.856 1.00 0.00 C ATOM 53 OG SER A 6 -12.624 -23.451 -7.975 1.00 0.00 O ATOM 0 H SER A 6 -14.617 -23.642 -4.358 1.00 0.00 H new ATOM 0 HA SER A 6 -12.461 -22.207 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.016 -24.729 -6.411 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.430 -24.036 -7.180 1.00 0.00 H new ATOM 0 HG SER A 6 -12.625 -24.181 -8.628 1.00 0.00 H new ATOM 59 N GLY A 7 -14.073 -20.619 -6.877 1.00 0.00 N ATOM 60 CA GLY A 7 -14.998 -19.575 -7.278 1.00 0.00 C ATOM 61 C GLY A 7 -15.216 -18.544 -6.188 1.00 0.00 C ATOM 62 O GLY A 7 -15.645 -18.879 -5.083 1.00 0.00 O ATOM 0 H GLY A 7 -13.108 -20.475 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.617 -19.080 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.954 -20.024 -7.546 1.00 0.00 H new ATOM 66 N LYS A 8 -14.919 -17.287 -6.497 1.00 0.00 N ATOM 67 CA LYS A 8 -15.084 -16.203 -5.536 1.00 0.00 C ATOM 68 C LYS A 8 -15.442 -14.899 -6.242 1.00 0.00 C ATOM 69 O LYS A 8 -14.992 -14.644 -7.360 1.00 0.00 O ATOM 70 CB LYS A 8 -13.804 -16.018 -4.719 1.00 0.00 C ATOM 71 CG LYS A 8 -13.589 -17.098 -3.673 1.00 0.00 C ATOM 72 CD LYS A 8 -12.184 -17.043 -3.095 1.00 0.00 C ATOM 73 CE LYS A 8 -12.088 -17.818 -1.790 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.356 -19.270 -1.986 1.00 0.00 N ATOM 0 H LYS A 8 -14.562 -16.993 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.901 -16.468 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.950 -16.004 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.835 -15.047 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.318 -16.980 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.762 -18.077 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.477 -17.453 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.900 -16.005 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.094 -17.687 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.800 -17.411 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.215 -19.774 -1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.337 -19.402 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.704 -19.650 -2.702 1.00 0.00 H new ATOM 88 N ARG A 9 -16.251 -14.076 -5.583 1.00 0.00 N ATOM 89 CA ARG A 9 -16.668 -12.799 -6.148 1.00 0.00 C ATOM 90 C ARG A 9 -15.525 -11.787 -6.107 1.00 0.00 C ATOM 91 O ARG A 9 -15.104 -11.358 -5.034 1.00 0.00 O ATOM 92 CB ARG A 9 -17.876 -12.250 -5.388 1.00 0.00 C ATOM 93 CG ARG A 9 -19.210 -12.732 -5.935 1.00 0.00 C ATOM 94 CD ARG A 9 -19.513 -14.154 -5.492 1.00 0.00 C ATOM 95 NE ARG A 9 -19.854 -14.225 -4.074 1.00 0.00 N ATOM 96 CZ ARG A 9 -20.407 -15.289 -3.503 1.00 0.00 C ATOM 97 NH1 ARG A 9 -20.680 -16.367 -4.226 1.00 0.00 N ATOM 98 NH2 ARG A 9 -20.689 -15.277 -2.206 1.00 0.00 N ATOM 0 H ARG A 9 -16.631 -14.271 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.947 -12.965 -7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -17.797 -12.539 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -17.851 -11.161 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.005 -12.067 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -19.197 -12.684 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -20.339 -14.550 -6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.648 -14.787 -5.689 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.657 -13.413 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.465 -16.380 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.105 -17.183 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.481 -14.450 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.114 -16.095 -1.769 1.00 0.00 H new ATOM 112 N GLN A 10 -15.030 -11.413 -7.283 1.00 0.00 N ATOM 113 CA GLN A 10 -13.937 -10.454 -7.380 1.00 0.00 C ATOM 114 C GLN A 10 -14.415 -9.144 -7.998 1.00 0.00 C ATOM 115 O GLN A 10 -14.938 -9.126 -9.112 1.00 0.00 O ATOM 116 CB GLN A 10 -12.792 -11.036 -8.211 1.00 0.00 C ATOM 117 CG GLN A 10 -11.450 -10.375 -7.946 1.00 0.00 C ATOM 118 CD GLN A 10 -10.844 -10.793 -6.620 1.00 0.00 C ATOM 119 OE1 GLN A 10 -11.504 -11.426 -5.796 1.00 0.00 O ATOM 120 NE2 GLN A 10 -9.582 -10.442 -6.408 1.00 0.00 N ATOM 0 H GLN A 10 -15.369 -11.760 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.577 -10.249 -6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.709 -12.103 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.034 -10.935 -9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.760 -10.627 -8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.574 -9.292 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.072 -9.917 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.122 -10.697 -5.534 1.00 0.00 H new ATOM 129 N LYS A 11 -14.232 -8.050 -7.267 1.00 0.00 N ATOM 130 CA LYS A 11 -14.643 -6.734 -7.743 1.00 0.00 C ATOM 131 C LYS A 11 -13.434 -5.902 -8.155 1.00 0.00 C ATOM 132 O LYS A 11 -12.564 -5.606 -7.336 1.00 0.00 O ATOM 133 CB LYS A 11 -15.434 -6.001 -6.657 1.00 0.00 C ATOM 134 CG LYS A 11 -16.785 -6.628 -6.359 1.00 0.00 C ATOM 135 CD LYS A 11 -17.706 -5.655 -5.643 1.00 0.00 C ATOM 136 CE LYS A 11 -18.311 -4.647 -6.608 1.00 0.00 C ATOM 137 NZ LYS A 11 -19.245 -3.712 -5.921 1.00 0.00 N ATOM 0 H LYS A 11 -13.802 -8.048 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.280 -6.874 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.843 -5.979 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.583 -4.966 -6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.250 -6.952 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.647 -7.518 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.503 -6.207 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.149 -5.129 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.514 -4.078 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.843 -5.176 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.636 -3.041 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.020 -4.252 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.732 -3.189 -5.183 1.00 0.00 H new ATOM 151 N ILE A 12 -13.386 -5.527 -9.429 1.00 0.00 N ATOM 152 CA ILE A 12 -12.284 -4.727 -9.949 1.00 0.00 C ATOM 153 C ILE A 12 -12.511 -3.242 -9.686 1.00 0.00 C ATOM 154 O ILE A 12 -11.582 -2.513 -9.336 1.00 0.00 O ATOM 155 CB ILE A 12 -12.093 -4.946 -11.461 1.00 0.00 C ATOM 156 CG1 ILE A 12 -11.661 -6.387 -11.739 1.00 0.00 C ATOM 157 CG2 ILE A 12 -11.070 -3.964 -12.014 1.00 0.00 C ATOM 158 CD1 ILE A 12 -12.820 -7.333 -11.963 1.00 0.00 C ATOM 0 H ILE A 12 -14.098 -5.764 -10.120 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.384 -5.053 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 12 -13.045 -4.769 -11.962 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.016 -6.401 -12.618 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.065 -6.747 -10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.946 -4.132 -13.084 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.416 -2.944 -11.844 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.115 -4.112 -11.511 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.439 -8.336 -12.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.454 -7.348 -11.076 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.404 -6.997 -12.820 1.00 0.00 H new ATOM 170 N HIS A 13 -13.753 -2.800 -9.855 1.00 0.00 N ATOM 171 CA HIS A 13 -14.104 -1.402 -9.634 1.00 0.00 C ATOM 172 C HIS A 13 -15.068 -1.263 -8.459 1.00 0.00 C ATOM 173 O HIS A 13 -16.266 -1.047 -8.648 1.00 0.00 O ATOM 174 CB HIS A 13 -14.729 -0.805 -10.895 1.00 0.00 C ATOM 175 CG HIS A 13 -13.771 -0.685 -12.039 1.00 0.00 C ATOM 176 ND1 HIS A 13 -12.995 0.434 -12.258 1.00 0.00 N ATOM 177 CD2 HIS A 13 -13.463 -1.553 -13.031 1.00 0.00 C ATOM 178 CE1 HIS A 13 -12.254 0.250 -13.335 1.00 0.00 C ATOM 179 NE2 HIS A 13 -12.518 -0.949 -13.823 1.00 0.00 N ATOM 0 H HIS A 13 -14.533 -3.390 -10.144 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.190 -0.857 -9.398 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -15.572 -1.425 -11.201 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -15.128 0.182 -10.661 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.883 -2.538 -13.173 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.551 0.959 -13.747 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.090 -1.359 -14.653 1.00 0.00 H new ATOM 187 N LEU A 14 -14.538 -1.388 -7.247 1.00 0.00 N ATOM 188 CA LEU A 14 -15.351 -1.277 -6.041 1.00 0.00 C ATOM 189 C LEU A 14 -16.014 0.094 -5.956 1.00 0.00 C ATOM 190 O LEU A 14 -17.208 0.202 -5.679 1.00 0.00 O ATOM 191 CB LEU A 14 -14.492 -1.518 -4.799 1.00 0.00 C ATOM 192 CG LEU A 14 -13.715 -2.835 -4.766 1.00 0.00 C ATOM 193 CD1 LEU A 14 -12.535 -2.734 -3.812 1.00 0.00 C ATOM 194 CD2 LEU A 14 -14.630 -3.984 -4.366 1.00 0.00 C ATOM 0 H LEU A 14 -13.549 -1.566 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.132 -2.036 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.781 -0.697 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.138 -1.478 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.331 -3.034 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.994 -3.680 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.868 -1.938 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.897 -2.512 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.060 -4.913 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.043 -3.792 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.442 -4.070 -5.088 1.00 0.00 H new ATOM 206 N GLY A 15 -15.231 1.141 -6.199 1.00 0.00 N ATOM 207 CA GLY A 15 -15.761 2.491 -6.147 1.00 0.00 C ATOM 208 C GLY A 15 -14.996 3.449 -7.039 1.00 0.00 C ATOM 209 O GLY A 15 -13.994 3.074 -7.648 1.00 0.00 O ATOM 0 H GLY A 15 -14.240 1.078 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.809 2.478 -6.447 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -15.728 2.852 -5.119 1.00 0.00 H new ATOM 213 N ASP A 16 -15.471 4.687 -7.119 1.00 0.00 N ATOM 214 CA ASP A 16 -14.825 5.701 -7.945 1.00 0.00 C ATOM 215 C ASP A 16 -13.646 6.330 -7.210 1.00 0.00 C ATOM 216 O ASP A 16 -12.557 6.469 -7.768 1.00 0.00 O ATOM 217 CB ASP A 16 -15.832 6.783 -8.341 1.00 0.00 C ATOM 218 CG ASP A 16 -16.945 6.245 -9.218 1.00 0.00 C ATOM 219 OD1 ASP A 16 -17.847 5.566 -8.683 1.00 0.00 O ATOM 220 OD2 ASP A 16 -16.916 6.504 -10.439 1.00 0.00 O ATOM 0 H ASP A 16 -16.300 5.013 -6.622 1.00 0.00 H new ATOM 0 HA ASP A 16 -14.451 5.216 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -16.263 7.221 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -15.313 7.583 -8.868 1.00 0.00 H new ATOM 225 N ARG A 17 -13.871 6.710 -5.957 1.00 0.00 N ATOM 226 CA ARG A 17 -12.827 7.327 -5.147 1.00 0.00 C ATOM 227 C ARG A 17 -11.575 6.456 -5.118 1.00 0.00 C ATOM 228 O ARG A 17 -10.453 6.963 -5.114 1.00 0.00 O ATOM 229 CB ARG A 17 -13.331 7.562 -3.721 1.00 0.00 C ATOM 230 CG ARG A 17 -14.276 8.746 -3.597 1.00 0.00 C ATOM 231 CD ARG A 17 -13.537 10.067 -3.744 1.00 0.00 C ATOM 232 NE ARG A 17 -14.425 11.213 -3.572 1.00 0.00 N ATOM 233 CZ ARG A 17 -14.016 12.475 -3.632 1.00 0.00 C ATOM 234 NH1 ARG A 17 -12.740 12.752 -3.859 1.00 0.00 N ATOM 235 NH2 ARG A 17 -14.885 13.464 -3.464 1.00 0.00 N ATOM 0 H ARG A 17 -14.766 6.602 -5.480 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.571 8.286 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.840 6.664 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.476 7.720 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.052 8.675 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.776 8.714 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.734 10.117 -3.008 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.071 10.114 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.414 11.035 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.069 11.995 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.429 13.722 -3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.868 13.255 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.570 14.433 -3.510 1.00 0.00 H new ATOM 249 N SER A 18 -11.775 5.142 -5.097 1.00 0.00 N ATOM 250 CA SER A 18 -10.662 4.200 -5.064 1.00 0.00 C ATOM 251 C SER A 18 -9.911 4.200 -6.392 1.00 0.00 C ATOM 252 O SER A 18 -10.357 4.801 -7.369 1.00 0.00 O ATOM 253 CB SER A 18 -11.168 2.790 -4.752 1.00 0.00 C ATOM 254 OG SER A 18 -11.746 2.731 -3.460 1.00 0.00 O ATOM 0 H SER A 18 -12.697 4.706 -5.102 1.00 0.00 H new ATOM 0 HA SER A 18 -9.976 4.514 -4.278 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.905 2.491 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.343 2.081 -4.818 1.00 0.00 H new ATOM 0 HG SER A 18 -12.063 1.820 -3.285 1.00 0.00 H new ATOM 260 N GLN A 19 -8.768 3.522 -6.419 1.00 0.00 N ATOM 261 CA GLN A 19 -7.954 3.444 -7.626 1.00 0.00 C ATOM 262 C GLN A 19 -7.116 2.170 -7.637 1.00 0.00 C ATOM 263 O GLN A 19 -6.605 1.741 -6.602 1.00 0.00 O ATOM 264 CB GLN A 19 -7.042 4.668 -7.731 1.00 0.00 C ATOM 265 CG GLN A 19 -6.071 4.605 -8.899 1.00 0.00 C ATOM 266 CD GLN A 19 -5.672 5.978 -9.401 1.00 0.00 C ATOM 267 OE1 GLN A 19 -4.725 6.585 -8.898 1.00 0.00 O ATOM 268 NE2 GLN A 19 -6.393 6.477 -10.398 1.00 0.00 N ATOM 0 H GLN A 19 -8.385 3.019 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.625 3.423 -8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.658 5.562 -7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.477 4.770 -6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.178 4.060 -8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.525 4.042 -9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.169 5.940 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.171 7.397 -10.777 1.00 0.00 H new ATOM 277 N LYS A 20 -6.981 1.567 -8.813 1.00 0.00 N ATOM 278 CA LYS A 20 -6.205 0.341 -8.960 1.00 0.00 C ATOM 279 C LYS A 20 -4.774 0.651 -9.389 1.00 0.00 C ATOM 280 O LYS A 20 -4.521 0.986 -10.547 1.00 0.00 O ATOM 281 CB LYS A 20 -6.866 -0.585 -9.983 1.00 0.00 C ATOM 282 CG LYS A 20 -6.249 -1.972 -10.036 1.00 0.00 C ATOM 283 CD LYS A 20 -6.719 -2.746 -11.256 1.00 0.00 C ATOM 284 CE LYS A 20 -6.130 -4.148 -11.288 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.356 -4.814 -12.601 1.00 0.00 N ATOM 0 H LYS A 20 -7.399 1.907 -9.679 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.175 -0.159 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.926 -0.677 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.799 -0.129 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.162 -1.887 -10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.511 -2.522 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.807 -2.807 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.433 -2.210 -12.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.060 -4.097 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.576 -4.748 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.940 -5.767 -12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.377 -4.885 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.908 -4.255 -13.355 1.00 0.00 H new ATOM 299 N CYS A 21 -3.842 0.536 -8.449 1.00 0.00 N ATOM 300 CA CYS A 21 -2.436 0.802 -8.730 1.00 0.00 C ATOM 301 C CYS A 21 -2.034 0.232 -10.087 1.00 0.00 C ATOM 302 O CYS A 21 -2.607 -0.753 -10.553 1.00 0.00 O ATOM 303 CB CYS A 21 -1.553 0.204 -7.632 1.00 0.00 C ATOM 304 SG CYS A 21 0.194 0.713 -7.724 1.00 0.00 S ATOM 0 H CYS A 21 -4.035 0.260 -7.486 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.295 1.883 -8.754 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.954 0.493 -6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.607 -0.883 -7.689 1.00 0.00 H new ATOM 309 N SER A 22 -1.046 0.860 -10.717 1.00 0.00 N ATOM 310 CA SER A 22 -0.570 0.418 -12.023 1.00 0.00 C ATOM 311 C SER A 22 0.734 -0.363 -11.890 1.00 0.00 C ATOM 312 O SER A 22 1.130 -1.093 -12.798 1.00 0.00 O ATOM 313 CB SER A 22 -0.366 1.619 -12.948 1.00 0.00 C ATOM 314 OG SER A 22 -1.585 2.001 -13.563 1.00 0.00 O ATOM 0 H SER A 22 -0.560 1.676 -10.345 1.00 0.00 H new ATOM 0 HA SER A 22 -1.325 -0.240 -12.454 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.036 2.457 -12.378 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.370 1.372 -13.713 1.00 0.00 H new ATOM 0 HG SER A 22 -1.429 2.772 -14.148 1.00 0.00 H new ATOM 320 N LYS A 23 1.398 -0.203 -10.750 1.00 0.00 N ATOM 321 CA LYS A 23 2.657 -0.892 -10.494 1.00 0.00 C ATOM 322 C LYS A 23 2.409 -2.300 -9.962 1.00 0.00 C ATOM 323 O LYS A 23 2.610 -3.287 -10.670 1.00 0.00 O ATOM 324 CB LYS A 23 3.503 -0.099 -9.495 1.00 0.00 C ATOM 325 CG LYS A 23 4.807 -0.784 -9.124 1.00 0.00 C ATOM 326 CD LYS A 23 5.509 -0.066 -7.983 1.00 0.00 C ATOM 327 CE LYS A 23 6.318 -1.031 -7.131 1.00 0.00 C ATOM 328 NZ LYS A 23 7.622 -1.372 -7.765 1.00 0.00 N ATOM 0 H LYS A 23 1.085 0.398 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 23 3.198 -0.969 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.724 0.881 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.920 0.068 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.608 -1.817 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.463 -0.815 -9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.167 0.704 -8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.771 0.439 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.496 -0.589 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.743 -1.943 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.143 -2.032 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.453 -1.817 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.182 -0.505 -7.896 1.00 0.00 H new ATOM 342 N CYS A 24 1.969 -2.385 -8.711 1.00 0.00 N ATOM 343 CA CYS A 24 1.692 -3.672 -8.084 1.00 0.00 C ATOM 344 C CYS A 24 0.321 -4.197 -8.502 1.00 0.00 C ATOM 345 O CYS A 24 0.177 -5.362 -8.870 1.00 0.00 O ATOM 346 CB CYS A 24 1.758 -3.545 -6.561 1.00 0.00 C ATOM 347 SG CYS A 24 0.316 -2.714 -5.820 1.00 0.00 S ATOM 0 H CYS A 24 1.797 -1.578 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 24 2.450 -4.381 -8.417 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.852 -4.541 -6.128 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.659 -2.994 -6.292 1.00 0.00 H new ATOM 352 N GLY A 25 -0.683 -3.327 -8.444 1.00 0.00 N ATOM 353 CA GLY A 25 -2.028 -3.721 -8.819 1.00 0.00 C ATOM 354 C GLY A 25 -2.902 -4.021 -7.617 1.00 0.00 C ATOM 355 O GLY A 25 -3.525 -5.080 -7.543 1.00 0.00 O ATOM 0 H GLY A 25 -0.589 -2.357 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.485 -2.925 -9.407 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.980 -4.603 -9.458 1.00 0.00 H new ATOM 359 N ILE A 26 -2.946 -3.087 -6.673 1.00 0.00 N ATOM 360 CA ILE A 26 -3.749 -3.257 -5.468 1.00 0.00 C ATOM 361 C ILE A 26 -4.781 -2.143 -5.334 1.00 0.00 C ATOM 362 O ILE A 26 -4.592 -1.042 -5.852 1.00 0.00 O ATOM 363 CB ILE A 26 -2.870 -3.281 -4.204 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.659 -3.840 -3.018 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.352 -1.885 -3.892 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.909 -3.769 -1.707 1.00 0.00 C ATOM 0 H ILE A 26 -2.435 -2.205 -6.719 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.261 -4.215 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.015 -3.932 -4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.595 -3.289 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.920 -4.878 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.732 -1.919 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.758 -1.522 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.194 -1.213 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.528 -4.182 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.986 -4.344 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.671 -2.730 -1.480 1.00 0.00 H new ATOM 378 N ILE A 27 -5.873 -2.436 -4.635 1.00 0.00 N ATOM 379 CA ILE A 27 -6.934 -1.458 -4.430 1.00 0.00 C ATOM 380 C ILE A 27 -6.588 -0.502 -3.294 1.00 0.00 C ATOM 381 O ILE A 27 -6.329 -0.927 -2.167 1.00 0.00 O ATOM 382 CB ILE A 27 -8.278 -2.142 -4.119 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.675 -3.078 -5.263 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.360 -1.100 -3.880 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.880 -2.367 -6.582 1.00 0.00 C ATOM 0 H ILE A 27 -6.046 -3.343 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.029 -0.896 -5.359 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.166 -2.735 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.903 -3.837 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.594 -3.599 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.304 -1.599 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.079 -0.470 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.474 -0.483 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.159 -3.092 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.673 -1.627 -6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.955 -1.869 -6.875 1.00 0.00 H new ATOM 397 N PHE A 28 -6.588 0.792 -3.596 1.00 0.00 N ATOM 398 CA PHE A 28 -6.275 1.810 -2.599 1.00 0.00 C ATOM 399 C PHE A 28 -7.186 3.024 -2.757 1.00 0.00 C ATOM 400 O PHE A 28 -8.021 3.073 -3.661 1.00 0.00 O ATOM 401 CB PHE A 28 -4.811 2.238 -2.718 1.00 0.00 C ATOM 402 CG PHE A 28 -4.512 3.007 -3.973 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.324 2.348 -5.177 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.417 4.389 -3.948 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.049 3.053 -6.334 1.00 0.00 C ATOM 406 CE2 PHE A 28 -4.142 5.100 -5.101 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.956 4.431 -6.295 1.00 0.00 C ATOM 0 H PHE A 28 -6.801 1.161 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.441 1.379 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.548 2.850 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.178 1.352 -2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.393 1.271 -5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.559 4.917 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.907 2.527 -7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.073 6.177 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.738 4.984 -7.197 1.00 0.00 H new ATOM 417 N ILE A 29 -7.019 4.001 -1.872 1.00 0.00 N ATOM 418 CA ILE A 29 -7.825 5.214 -1.913 1.00 0.00 C ATOM 419 C ILE A 29 -7.014 6.396 -2.434 1.00 0.00 C ATOM 420 O ILE A 29 -5.862 6.591 -2.044 1.00 0.00 O ATOM 421 CB ILE A 29 -8.387 5.565 -0.523 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.136 4.368 0.066 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.301 6.778 -0.611 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.290 3.896 -0.791 1.00 0.00 C ATOM 0 H ILE A 29 -6.333 3.976 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.655 5.018 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.555 5.809 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.436 3.544 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.513 4.635 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.690 7.013 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.739 7.631 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.130 6.561 -1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.775 3.045 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.011 4.705 -0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.917 3.597 -1.771 1.00 0.00 H new ATOM 436 N ARG A 30 -7.622 7.182 -3.317 1.00 0.00 N ATOM 437 CA ARG A 30 -6.956 8.345 -3.891 1.00 0.00 C ATOM 438 C ARG A 30 -7.764 9.614 -3.637 1.00 0.00 C ATOM 439 O ARG A 30 -8.990 9.614 -3.750 1.00 0.00 O ATOM 440 CB ARG A 30 -6.750 8.150 -5.394 1.00 0.00 C ATOM 441 CG ARG A 30 -8.036 7.877 -6.155 1.00 0.00 C ATOM 442 CD ARG A 30 -7.835 8.014 -7.656 1.00 0.00 C ATOM 443 NE ARG A 30 -8.996 7.546 -8.409 1.00 0.00 N ATOM 444 CZ ARG A 30 -10.079 8.285 -8.623 1.00 0.00 C ATOM 445 NH1 ARG A 30 -10.149 9.519 -8.144 1.00 0.00 N ATOM 446 NH2 ARG A 30 -11.096 7.789 -9.318 1.00 0.00 N ATOM 0 H ARG A 30 -8.575 7.034 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.984 8.452 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.277 9.041 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.061 7.321 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.390 6.872 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.809 8.571 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.640 9.058 -7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.955 7.446 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.974 6.601 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.370 9.904 -7.609 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.982 10.084 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.046 6.840 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.927 8.357 -9.482 1.00 0.00 H new ATOM 460 N ARG A 31 -7.069 10.693 -3.294 1.00 0.00 N ATOM 461 CA ARG A 31 -7.722 11.968 -3.023 1.00 0.00 C ATOM 462 C ARG A 31 -7.466 12.962 -4.153 1.00 0.00 C ATOM 463 O ARG A 31 -6.450 12.882 -4.844 1.00 0.00 O ATOM 464 CB ARG A 31 -7.226 12.548 -1.698 1.00 0.00 C ATOM 465 CG ARG A 31 -8.234 13.459 -1.016 1.00 0.00 C ATOM 466 CD ARG A 31 -7.544 14.539 -0.198 1.00 0.00 C ATOM 467 NE ARG A 31 -8.472 15.223 0.699 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.886 14.715 1.855 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.456 13.525 2.252 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.731 15.398 2.616 1.00 0.00 N ATOM 0 H ARG A 31 -6.054 10.710 -3.197 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.795 11.790 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.975 11.729 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.307 13.106 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.874 13.923 -1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.881 12.867 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.738 14.093 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.087 15.266 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.821 16.141 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.806 12.997 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.775 13.137 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.063 16.314 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.048 15.007 3.503 1.00 0.00 H new ATOM 484 N SER A 32 -8.393 13.896 -4.335 1.00 0.00 N ATOM 485 CA SER A 32 -8.270 14.902 -5.383 1.00 0.00 C ATOM 486 C SER A 32 -7.133 15.872 -5.074 1.00 0.00 C ATOM 487 O SER A 32 -7.225 16.682 -4.151 1.00 0.00 O ATOM 488 CB SER A 32 -9.583 15.671 -5.538 1.00 0.00 C ATOM 489 OG SER A 32 -9.578 16.456 -6.718 1.00 0.00 O ATOM 0 H SER A 32 -9.238 13.977 -3.770 1.00 0.00 H new ATOM 0 HA SER A 32 -8.044 14.390 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.417 14.970 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.736 16.313 -4.671 1.00 0.00 H new ATOM 0 HG SER A 32 -10.429 16.936 -6.795 1.00 0.00 H new ATOM 495 N THR A 33 -6.060 15.783 -5.854 1.00 0.00 N ATOM 496 CA THR A 33 -4.904 16.650 -5.664 1.00 0.00 C ATOM 497 C THR A 33 -4.373 17.158 -7.000 1.00 0.00 C ATOM 498 O THR A 33 -4.839 16.745 -8.063 1.00 0.00 O ATOM 499 CB THR A 33 -3.771 15.921 -4.918 1.00 0.00 C ATOM 500 OG1 THR A 33 -3.560 14.627 -5.492 1.00 0.00 O ATOM 501 CG2 THR A 33 -4.101 15.779 -3.440 1.00 0.00 C ATOM 0 H THR A 33 -5.968 15.119 -6.623 1.00 0.00 H new ATOM 0 HA THR A 33 -5.239 17.496 -5.063 1.00 0.00 H new ATOM 0 HB THR A 33 -2.861 16.513 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.837 14.171 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.287 15.261 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.232 16.768 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.021 15.206 -3.326 1.00 0.00 H new ATOM 509 N LEU A 34 -3.395 18.055 -6.940 1.00 0.00 N ATOM 510 CA LEU A 34 -2.799 18.619 -8.146 1.00 0.00 C ATOM 511 C LEU A 34 -1.290 18.392 -8.166 1.00 0.00 C ATOM 512 O LEU A 34 -0.542 19.067 -7.459 1.00 0.00 O ATOM 513 CB LEU A 34 -3.102 20.115 -8.237 1.00 0.00 C ATOM 514 CG LEU A 34 -2.962 20.746 -9.623 1.00 0.00 C ATOM 515 CD1 LEU A 34 -1.588 20.453 -10.206 1.00 0.00 C ATOM 516 CD2 LEU A 34 -4.056 20.241 -10.552 1.00 0.00 C ATOM 0 H LEU A 34 -2.998 18.407 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.235 18.113 -9.007 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.120 20.281 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.438 20.642 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.069 21.826 -9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.506 20.910 -11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.820 20.864 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.452 19.375 -10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.941 20.701 -11.534 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.981 19.158 -10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.031 20.502 -10.141 1.00 0.00 H new ATOM 528 N SER A 35 -0.851 17.438 -8.981 1.00 0.00 N ATOM 529 CA SER A 35 0.568 17.121 -9.092 1.00 0.00 C ATOM 530 C SER A 35 0.961 16.891 -10.548 1.00 0.00 C ATOM 531 O SER A 35 0.122 16.554 -11.383 1.00 0.00 O ATOM 532 CB SER A 35 0.901 15.881 -8.260 1.00 0.00 C ATOM 533 OG SER A 35 2.284 15.828 -7.955 1.00 0.00 O ATOM 0 H SER A 35 -1.457 16.871 -9.574 1.00 0.00 H new ATOM 0 HA SER A 35 1.136 17.970 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.322 15.892 -7.337 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.611 14.984 -8.807 1.00 0.00 H new ATOM 0 HG SER A 35 2.471 15.028 -7.421 1.00 0.00 H new ATOM 539 N ARG A 36 2.244 17.077 -10.844 1.00 0.00 N ATOM 540 CA ARG A 36 2.749 16.891 -12.199 1.00 0.00 C ATOM 541 C ARG A 36 2.734 15.416 -12.588 1.00 0.00 C ATOM 542 O ARG A 36 2.329 15.060 -13.694 1.00 0.00 O ATOM 543 CB ARG A 36 4.170 17.446 -12.316 1.00 0.00 C ATOM 544 CG ARG A 36 4.718 17.422 -13.733 1.00 0.00 C ATOM 545 CD ARG A 36 4.250 18.628 -14.532 1.00 0.00 C ATOM 546 NE ARG A 36 4.939 18.736 -15.815 1.00 0.00 N ATOM 547 CZ ARG A 36 5.211 19.893 -16.409 1.00 0.00 C ATOM 548 NH1 ARG A 36 4.854 21.034 -15.837 1.00 0.00 N ATOM 549 NH2 ARG A 36 5.842 19.909 -17.576 1.00 0.00 N ATOM 0 H ARG A 36 2.951 17.356 -10.164 1.00 0.00 H new ATOM 0 HA ARG A 36 2.096 17.435 -12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.182 18.472 -11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.831 16.868 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.807 17.405 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.399 16.507 -14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.176 18.555 -14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.420 19.535 -13.952 1.00 0.00 H new ATOM 0 HE ARG A 36 5.227 17.876 -16.281 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.370 21.025 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.064 21.921 -16.294 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.119 19.032 -18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.050 20.798 -18.031 1.00 0.00 H new ATOM 563 N ARG A 37 3.178 14.563 -11.670 1.00 0.00 N ATOM 564 CA ARG A 37 3.217 13.127 -11.918 1.00 0.00 C ATOM 565 C ARG A 37 1.938 12.456 -11.427 1.00 0.00 C ATOM 566 O ARG A 37 1.895 11.907 -10.325 1.00 0.00 O ATOM 567 CB ARG A 37 4.431 12.502 -11.229 1.00 0.00 C ATOM 568 CG ARG A 37 4.499 10.990 -11.368 1.00 0.00 C ATOM 569 CD ARG A 37 5.635 10.405 -10.543 1.00 0.00 C ATOM 570 NE ARG A 37 5.350 10.448 -9.111 1.00 0.00 N ATOM 571 CZ ARG A 37 6.200 10.029 -8.180 1.00 0.00 C ATOM 572 NH1 ARG A 37 7.381 9.537 -8.528 1.00 0.00 N ATOM 573 NH2 ARG A 37 5.868 10.101 -6.897 1.00 0.00 N ATOM 0 H ARG A 37 3.515 14.842 -10.749 1.00 0.00 H new ATOM 0 HA ARG A 37 3.298 12.971 -12.994 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.339 12.938 -11.646 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.410 12.760 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.553 10.551 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.636 10.726 -12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.810 9.373 -10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.553 10.957 -10.747 1.00 0.00 H new ATOM 0 HE ARG A 37 4.449 10.820 -8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.639 9.479 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.031 9.216 -7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.960 10.478 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.521 9.779 -6.182 1.00 0.00 H new ATOM 587 N LYS A 38 0.897 12.503 -12.251 1.00 0.00 N ATOM 588 CA LYS A 38 -0.384 11.900 -11.902 1.00 0.00 C ATOM 589 C LYS A 38 -0.376 10.402 -12.190 1.00 0.00 C ATOM 590 O LYS A 38 -1.076 9.927 -13.086 1.00 0.00 O ATOM 591 CB LYS A 38 -1.517 12.574 -12.680 1.00 0.00 C ATOM 592 CG LYS A 38 -2.062 13.819 -12.003 1.00 0.00 C ATOM 593 CD LYS A 38 -3.157 13.478 -11.006 1.00 0.00 C ATOM 594 CE LYS A 38 -4.527 13.464 -11.666 1.00 0.00 C ATOM 595 NZ LYS A 38 -5.617 13.240 -10.676 1.00 0.00 N ATOM 0 H LYS A 38 0.915 12.953 -13.166 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.548 12.046 -10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.156 12.839 -13.674 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.329 11.859 -12.816 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.253 14.340 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.455 14.502 -12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.956 12.503 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.151 14.205 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.692 14.411 -12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.557 12.681 -12.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.535 13.237 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.474 12.325 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.604 14.001 -9.968 1.00 0.00 H new ATOM 609 N THR A 39 0.419 9.661 -11.425 1.00 0.00 N ATOM 610 CA THR A 39 0.518 8.217 -11.598 1.00 0.00 C ATOM 611 C THR A 39 -0.305 7.480 -10.547 1.00 0.00 C ATOM 612 O THR A 39 -0.158 7.697 -9.344 1.00 0.00 O ATOM 613 CB THR A 39 1.980 7.740 -11.516 1.00 0.00 C ATOM 614 OG1 THR A 39 2.764 8.390 -12.522 1.00 0.00 O ATOM 615 CG2 THR A 39 2.068 6.232 -11.693 1.00 0.00 C ATOM 0 H THR A 39 1.004 10.037 -10.679 1.00 0.00 H new ATOM 0 HA THR A 39 0.125 7.990 -12.589 1.00 0.00 H new ATOM 0 HB THR A 39 2.368 7.997 -10.531 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.693 8.083 -12.462 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.110 5.919 -11.631 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.494 5.739 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.663 5.956 -12.667 1.00 0.00 H new ATOM 623 N PRO A 40 -1.193 6.587 -11.009 1.00 0.00 N ATOM 624 CA PRO A 40 -2.056 5.799 -10.125 1.00 0.00 C ATOM 625 C PRO A 40 -1.275 4.758 -9.329 1.00 0.00 C ATOM 626 O PRO A 40 -1.144 3.610 -9.753 1.00 0.00 O ATOM 627 CB PRO A 40 -3.026 5.115 -11.092 1.00 0.00 C ATOM 628 CG PRO A 40 -2.287 5.049 -12.384 1.00 0.00 C ATOM 629 CD PRO A 40 -1.422 6.277 -12.430 1.00 0.00 C ATOM 0 HA PRO A 40 -2.547 6.420 -9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.300 4.120 -10.741 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.951 5.683 -11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.683 4.144 -12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.977 5.026 -13.227 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.486 6.090 -12.956 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.918 7.099 -12.946 1.00 0.00 H new ATOM 637 N MET A 41 -0.759 5.167 -8.175 1.00 0.00 N ATOM 638 CA MET A 41 0.008 4.268 -7.320 1.00 0.00 C ATOM 639 C MET A 41 -0.637 4.146 -5.943 1.00 0.00 C ATOM 640 O MET A 41 -1.254 5.090 -5.449 1.00 0.00 O ATOM 641 CB MET A 41 1.447 4.768 -7.179 1.00 0.00 C ATOM 642 CG MET A 41 2.361 4.314 -8.306 1.00 0.00 C ATOM 643 SD MET A 41 3.032 2.663 -8.034 1.00 0.00 S ATOM 644 CE MET A 41 4.786 2.975 -8.220 1.00 0.00 C ATOM 0 H MET A 41 -0.858 6.114 -7.810 1.00 0.00 H new ATOM 0 HA MET A 41 0.017 3.283 -7.786 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.443 5.857 -7.142 1.00 0.00 H new ATOM 0 HB3 MET A 41 1.853 4.419 -6.230 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.807 4.327 -9.245 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.182 5.023 -8.410 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.152 2.471 -9.114 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.957 4.048 -8.312 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.317 2.597 -7.347 1.00 0.00 H new ATOM 654 N CYS A 42 -0.492 2.976 -5.329 1.00 0.00 N ATOM 655 CA CYS A 42 -1.061 2.730 -4.009 1.00 0.00 C ATOM 656 C CYS A 42 -0.242 3.426 -2.925 1.00 0.00 C ATOM 657 O CYS A 42 0.818 3.986 -3.199 1.00 0.00 O ATOM 658 CB CYS A 42 -1.123 1.227 -3.731 1.00 0.00 C ATOM 659 SG CYS A 42 0.500 0.399 -3.749 1.00 0.00 S ATOM 0 H CYS A 42 0.014 2.184 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.072 3.138 -3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.590 1.067 -2.759 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.767 0.757 -4.475 1.00 0.00 H new ATOM 664 N GLU A 43 -0.744 3.385 -1.695 1.00 0.00 N ATOM 665 CA GLU A 43 -0.060 4.012 -0.570 1.00 0.00 C ATOM 666 C GLU A 43 1.194 3.228 -0.191 1.00 0.00 C ATOM 667 O GLU A 43 2.009 3.688 0.610 1.00 0.00 O ATOM 668 CB GLU A 43 -0.997 4.111 0.635 1.00 0.00 C ATOM 669 CG GLU A 43 -2.275 4.882 0.350 1.00 0.00 C ATOM 670 CD GLU A 43 -3.129 5.073 1.588 1.00 0.00 C ATOM 671 OE1 GLU A 43 -3.719 4.080 2.063 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.208 6.217 2.083 1.00 0.00 O ATOM 0 H GLU A 43 -1.621 2.925 -1.452 1.00 0.00 H new ATOM 0 HA GLU A 43 0.237 5.016 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.256 3.106 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.468 4.592 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.022 5.857 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.853 4.353 -0.408 1.00 0.00 H new ATOM 679 N LYS A 44 1.340 2.042 -0.770 1.00 0.00 N ATOM 680 CA LYS A 44 2.493 1.193 -0.495 1.00 0.00 C ATOM 681 C LYS A 44 3.610 1.448 -1.502 1.00 0.00 C ATOM 682 O LYS A 44 4.791 1.300 -1.186 1.00 0.00 O ATOM 683 CB LYS A 44 2.087 -0.282 -0.531 1.00 0.00 C ATOM 684 CG LYS A 44 3.259 -1.239 -0.405 1.00 0.00 C ATOM 685 CD LYS A 44 2.806 -2.622 0.033 1.00 0.00 C ATOM 686 CE LYS A 44 3.955 -3.619 0.010 1.00 0.00 C ATOM 687 NZ LYS A 44 4.469 -3.840 -1.370 1.00 0.00 N ATOM 0 H LYS A 44 0.674 1.646 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 44 2.863 1.438 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.382 -0.476 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.563 -0.483 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.776 -1.311 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.976 -0.845 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.390 -2.568 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.008 -2.970 -0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.763 -3.256 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.621 -4.568 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.049 -4.703 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.669 -3.945 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.049 -3.026 -1.659 1.00 0.00 H new ATOM 701 N CYS A 45 3.230 1.835 -2.715 1.00 0.00 N ATOM 702 CA CYS A 45 4.198 2.113 -3.768 1.00 0.00 C ATOM 703 C CYS A 45 4.574 3.592 -3.786 1.00 0.00 C ATOM 704 O CYS A 45 5.752 3.944 -3.728 1.00 0.00 O ATOM 705 CB CYS A 45 3.634 1.703 -5.130 1.00 0.00 C ATOM 706 SG CYS A 45 3.277 -0.077 -5.281 1.00 0.00 S ATOM 0 H CYS A 45 2.257 1.963 -2.993 1.00 0.00 H new ATOM 0 HA CYS A 45 5.096 1.530 -3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.718 2.264 -5.316 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.344 1.987 -5.906 1.00 0.00 H new ATOM 711 N ARG A 46 3.565 4.452 -3.866 1.00 0.00 N ATOM 712 CA ARG A 46 3.789 5.893 -3.892 1.00 0.00 C ATOM 713 C ARG A 46 4.988 6.272 -3.029 1.00 0.00 C ATOM 714 O ARG A 46 5.772 7.152 -3.388 1.00 0.00 O ATOM 715 CB ARG A 46 2.542 6.633 -3.404 1.00 0.00 C ATOM 716 CG ARG A 46 2.192 6.347 -1.953 1.00 0.00 C ATOM 717 CD ARG A 46 1.011 7.185 -1.489 1.00 0.00 C ATOM 718 NE ARG A 46 0.906 7.224 -0.033 1.00 0.00 N ATOM 719 CZ ARG A 46 1.606 8.054 0.733 1.00 0.00 C ATOM 720 NH1 ARG A 46 2.457 8.910 0.183 1.00 0.00 N ATOM 721 NH2 ARG A 46 1.455 8.029 2.051 1.00 0.00 N ATOM 0 H ARG A 46 2.584 4.177 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 46 3.997 6.185 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.695 7.705 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.696 6.357 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.957 5.289 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.056 6.553 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.114 8.200 -1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.091 6.778 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 46 0.260 6.579 0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.575 8.932 -0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.993 9.546 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.801 7.372 2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.993 8.667 2.638 1.00 0.00 H new ATOM 735 N LYS A 47 5.126 5.603 -1.889 1.00 0.00 N ATOM 736 CA LYS A 47 6.230 5.868 -0.975 1.00 0.00 C ATOM 737 C LYS A 47 7.219 4.706 -0.964 1.00 0.00 C ATOM 738 O LYS A 47 7.626 4.235 0.098 1.00 0.00 O ATOM 739 CB LYS A 47 5.700 6.113 0.440 1.00 0.00 C ATOM 740 CG LYS A 47 4.996 4.909 1.043 1.00 0.00 C ATOM 741 CD LYS A 47 5.151 4.872 2.554 1.00 0.00 C ATOM 742 CE LYS A 47 4.034 5.637 3.247 1.00 0.00 C ATOM 743 NZ LYS A 47 4.386 7.069 3.453 1.00 0.00 N ATOM 0 H LYS A 47 4.486 4.873 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 47 6.749 6.761 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.530 6.399 1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.008 6.955 0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.937 4.939 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.403 3.994 0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.151 3.837 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.114 5.300 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.124 5.569 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.820 5.174 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.599 7.555 3.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.240 7.135 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.565 7.518 2.532 1.00 0.00 H new ATOM 757 N ASP A 48 7.602 4.251 -2.152 1.00 0.00 N ATOM 758 CA ASP A 48 8.546 3.147 -2.279 1.00 0.00 C ATOM 759 C ASP A 48 9.761 3.562 -3.102 1.00 0.00 C ATOM 760 O ASP A 48 9.628 4.201 -4.145 1.00 0.00 O ATOM 761 CB ASP A 48 7.865 1.939 -2.925 1.00 0.00 C ATOM 762 CG ASP A 48 7.889 2.003 -4.440 1.00 0.00 C ATOM 763 OD1 ASP A 48 7.654 3.099 -4.990 1.00 0.00 O ATOM 764 OD2 ASP A 48 8.140 0.957 -5.075 1.00 0.00 O ATOM 0 H ASP A 48 7.273 4.629 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 48 8.884 2.873 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.361 1.026 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.832 1.882 -2.583 1.00 0.00 H new ATOM 769 N SER A 49 10.946 3.195 -2.624 1.00 0.00 N ATOM 770 CA SER A 49 12.186 3.534 -3.313 1.00 0.00 C ATOM 771 C SER A 49 12.147 3.065 -4.764 1.00 0.00 C ATOM 772 O SER A 49 12.361 1.887 -5.053 1.00 0.00 O ATOM 773 CB SER A 49 13.382 2.906 -2.594 1.00 0.00 C ATOM 774 OG SER A 49 13.205 1.509 -2.436 1.00 0.00 O ATOM 0 H SER A 49 11.074 2.663 -1.763 1.00 0.00 H new ATOM 0 HA SER A 49 12.294 4.619 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.293 3.099 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.509 3.373 -1.617 1.00 0.00 H new ATOM 0 HG SER A 49 12.822 1.133 -3.256 1.00 0.00 H new ATOM 780 N CYS A 50 11.872 3.995 -5.672 1.00 0.00 N ATOM 781 CA CYS A 50 11.804 3.678 -7.094 1.00 0.00 C ATOM 782 C CYS A 50 13.110 4.037 -7.795 1.00 0.00 C ATOM 783 O CYS A 50 13.965 4.714 -7.225 1.00 0.00 O ATOM 784 CB CYS A 50 10.639 4.422 -7.749 1.00 0.00 C ATOM 785 SG CYS A 50 10.879 6.210 -7.868 1.00 0.00 S ATOM 0 H CYS A 50 11.693 4.974 -5.449 1.00 0.00 H new ATOM 0 HA CYS A 50 11.642 2.605 -7.194 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.482 4.020 -8.750 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.730 4.225 -7.180 1.00 0.00 H new ATOM 0 HG CYS A 50 9.843 6.750 -8.437 1.00 0.00 H new ATOM 791 N GLN A 51 13.258 3.577 -9.033 1.00 0.00 N ATOM 792 CA GLN A 51 14.461 3.848 -9.810 1.00 0.00 C ATOM 793 C GLN A 51 14.153 3.864 -11.304 1.00 0.00 C ATOM 794 O GLN A 51 13.029 3.583 -11.717 1.00 0.00 O ATOM 795 CB GLN A 51 15.534 2.800 -9.510 1.00 0.00 C ATOM 796 CG GLN A 51 15.131 1.387 -9.901 1.00 0.00 C ATOM 797 CD GLN A 51 16.132 0.346 -9.439 1.00 0.00 C ATOM 798 OE1 GLN A 51 17.151 0.116 -10.091 1.00 0.00 O ATOM 799 NE2 GLN A 51 15.847 -0.289 -8.308 1.00 0.00 N ATOM 0 H GLN A 51 12.560 3.015 -9.519 1.00 0.00 H new ATOM 0 HA GLN A 51 14.833 4.832 -9.524 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.449 3.067 -10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.763 2.822 -8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.154 1.161 -9.474 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.027 1.330 -10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.991 -0.066 -7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.484 -0.999 -7.947 1.00 0.00 H new ATOM 808 N GLU A 52 15.159 4.194 -12.107 1.00 0.00 N ATOM 809 CA GLU A 52 14.994 4.248 -13.555 1.00 0.00 C ATOM 810 C GLU A 52 13.614 4.784 -13.925 1.00 0.00 C ATOM 811 O GLU A 52 12.960 4.270 -14.832 1.00 0.00 O ATOM 812 CB GLU A 52 15.194 2.859 -14.165 1.00 0.00 C ATOM 813 CG GLU A 52 16.581 2.285 -13.929 1.00 0.00 C ATOM 814 CD GLU A 52 17.678 3.146 -14.526 1.00 0.00 C ATOM 815 OE1 GLU A 52 18.035 2.923 -15.701 1.00 0.00 O ATOM 816 OE2 GLU A 52 18.178 4.043 -13.816 1.00 0.00 O ATOM 0 H GLU A 52 16.096 4.428 -11.780 1.00 0.00 H new ATOM 0 HA GLU A 52 15.748 4.925 -13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.452 2.178 -13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.010 2.913 -15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.749 2.180 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.634 1.285 -14.359 1.00 0.00 H new ATOM 823 N ALA A 53 13.179 5.821 -13.217 1.00 0.00 N ATOM 824 CA ALA A 53 11.878 6.428 -13.471 1.00 0.00 C ATOM 825 C ALA A 53 11.832 7.067 -14.855 1.00 0.00 C ATOM 826 O ALA A 53 12.622 7.959 -15.164 1.00 0.00 O ATOM 827 CB ALA A 53 11.559 7.461 -12.400 1.00 0.00 C ATOM 0 H ALA A 53 13.708 6.258 -12.463 1.00 0.00 H new ATOM 0 HA ALA A 53 11.124 5.641 -13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.585 7.906 -12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.542 6.978 -11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.322 8.239 -12.407 1.00 0.00 H new ATOM 833 N ALA A 54 10.903 6.604 -15.685 1.00 0.00 N ATOM 834 CA ALA A 54 10.754 7.131 -17.036 1.00 0.00 C ATOM 835 C ALA A 54 9.288 7.157 -17.456 1.00 0.00 C ATOM 836 O ALA A 54 8.555 6.189 -17.249 1.00 0.00 O ATOM 837 CB ALA A 54 11.572 6.306 -18.018 1.00 0.00 C ATOM 0 H ALA A 54 10.242 5.865 -15.445 1.00 0.00 H new ATOM 0 HA ALA A 54 11.125 8.156 -17.043 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.451 6.711 -19.023 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.624 6.343 -17.736 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.228 5.272 -18.000 1.00 0.00 H new ATOM 843 N LEU A 55 8.867 8.270 -18.046 1.00 0.00 N ATOM 844 CA LEU A 55 7.487 8.422 -18.496 1.00 0.00 C ATOM 845 C LEU A 55 7.429 9.126 -19.847 1.00 0.00 C ATOM 846 O LEU A 55 8.390 9.772 -20.263 1.00 0.00 O ATOM 847 CB LEU A 55 6.678 9.208 -17.463 1.00 0.00 C ATOM 848 CG LEU A 55 6.949 10.712 -17.401 1.00 0.00 C ATOM 849 CD1 LEU A 55 6.060 11.456 -18.385 1.00 0.00 C ATOM 850 CD2 LEU A 55 6.736 11.234 -15.987 1.00 0.00 C ATOM 0 H LEU A 55 9.460 9.080 -18.224 1.00 0.00 H new ATOM 0 HA LEU A 55 7.055 7.427 -18.607 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.618 9.058 -17.670 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.873 8.783 -16.478 1.00 0.00 H new ATOM 0 HG LEU A 55 7.988 10.886 -17.679 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.267 12.525 -18.326 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.261 11.102 -19.396 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.014 11.275 -18.139 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.933 12.306 -15.961 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.707 11.047 -15.681 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.416 10.724 -15.305 1.00 0.00 H new ATOM 862 N ASN A 56 6.294 8.999 -20.527 1.00 0.00 N ATOM 863 CA ASN A 56 6.110 9.625 -21.831 1.00 0.00 C ATOM 864 C ASN A 56 4.683 9.427 -22.333 1.00 0.00 C ATOM 865 O ASN A 56 4.241 8.299 -22.552 1.00 0.00 O ATOM 866 CB ASN A 56 7.103 9.047 -22.842 1.00 0.00 C ATOM 867 CG ASN A 56 7.136 7.531 -22.819 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.233 6.871 -23.333 1.00 0.00 O ATOM 869 ND2 ASN A 56 8.180 6.971 -22.219 1.00 0.00 N ATOM 0 H ASN A 56 5.488 8.468 -20.196 1.00 0.00 H new ATOM 0 HA ASN A 56 6.293 10.694 -21.722 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.837 9.387 -23.843 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.100 9.433 -22.629 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.256 5.955 -22.171 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.906 7.557 -21.806 1.00 0.00 H new ATOM 876 N LYS A 57 3.967 10.531 -22.515 1.00 0.00 N ATOM 877 CA LYS A 57 2.590 10.481 -22.993 1.00 0.00 C ATOM 878 C LYS A 57 1.870 9.251 -22.449 1.00 0.00 C ATOM 879 O LYS A 57 1.135 8.580 -23.174 1.00 0.00 O ATOM 880 CB LYS A 57 2.560 10.469 -24.523 1.00 0.00 C ATOM 881 CG LYS A 57 3.146 9.207 -25.132 1.00 0.00 C ATOM 882 CD LYS A 57 2.530 8.904 -26.488 1.00 0.00 C ATOM 883 CE LYS A 57 3.399 7.953 -27.296 1.00 0.00 C ATOM 884 NZ LYS A 57 3.210 6.537 -26.876 1.00 0.00 N ATOM 0 H LYS A 57 4.318 11.472 -22.339 1.00 0.00 H new ATOM 0 HA LYS A 57 2.074 11.371 -22.633 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.529 10.580 -24.859 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.111 11.332 -24.896 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.225 9.320 -25.239 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.979 8.366 -24.459 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.541 8.466 -26.350 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.393 9.833 -27.042 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.160 8.053 -28.355 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.447 8.230 -27.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.819 5.920 -27.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.463 6.436 -25.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.216 6.264 -27.012 1.00 0.00 H new ATOM 898 N ASP A 58 2.085 8.962 -21.171 1.00 0.00 N ATOM 899 CA ASP A 58 1.454 7.814 -20.530 1.00 0.00 C ATOM 900 C ASP A 58 -0.047 7.797 -20.802 1.00 0.00 C ATOM 901 O ASP A 58 -0.581 6.817 -21.321 1.00 0.00 O ATOM 902 CB ASP A 58 1.710 7.840 -19.022 1.00 0.00 C ATOM 903 CG ASP A 58 1.712 9.248 -18.459 1.00 0.00 C ATOM 904 OD1 ASP A 58 2.617 10.029 -18.818 1.00 0.00 O ATOM 905 OD2 ASP A 58 0.808 9.568 -17.659 1.00 0.00 O ATOM 0 H ASP A 58 2.691 9.507 -20.558 1.00 0.00 H new ATOM 0 HA ASP A 58 1.892 6.909 -20.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.945 7.251 -18.516 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.669 7.366 -18.811 1.00 0.00 H new ATOM 910 N GLU A 59 -0.721 8.887 -20.448 1.00 0.00 N ATOM 911 CA GLU A 59 -2.160 8.994 -20.654 1.00 0.00 C ATOM 912 C GLU A 59 -2.500 10.223 -21.492 1.00 0.00 C ATOM 913 O GLU A 59 -3.270 10.143 -22.449 1.00 0.00 O ATOM 914 CB GLU A 59 -2.886 9.065 -19.308 1.00 0.00 C ATOM 915 CG GLU A 59 -3.069 7.711 -18.644 1.00 0.00 C ATOM 916 CD GLU A 59 -4.188 6.901 -19.270 1.00 0.00 C ATOM 917 OE1 GLU A 59 -4.181 6.739 -20.508 1.00 0.00 O ATOM 918 OE2 GLU A 59 -5.071 6.430 -18.522 1.00 0.00 O ATOM 0 H GLU A 59 -0.294 9.707 -20.018 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.491 8.106 -21.192 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.327 9.717 -18.637 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.864 9.523 -19.456 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.137 7.149 -18.711 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.279 7.856 -17.584 1.00 0.00 H new ATOM 925 N GLY A 60 -1.919 11.362 -21.125 1.00 0.00 N ATOM 926 CA GLY A 60 -2.173 12.592 -21.852 1.00 0.00 C ATOM 927 C GLY A 60 -2.924 13.613 -21.021 1.00 0.00 C ATOM 928 O GLY A 60 -2.729 13.701 -19.810 1.00 0.00 O ATOM 0 H GLY A 60 -1.277 11.454 -20.338 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.225 13.020 -22.178 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.747 12.367 -22.751 1.00 0.00 H new ATOM 932 N ASN A 61 -3.784 14.389 -21.674 1.00 0.00 N ATOM 933 CA ASN A 61 -4.565 15.411 -20.987 1.00 0.00 C ATOM 934 C ASN A 61 -3.653 16.402 -20.270 1.00 0.00 C ATOM 935 O ASN A 61 -3.916 16.792 -19.133 1.00 0.00 O ATOM 936 CB ASN A 61 -5.521 14.763 -19.983 1.00 0.00 C ATOM 937 CG ASN A 61 -6.588 13.924 -20.660 1.00 0.00 C ATOM 938 OD1 ASN A 61 -6.368 13.372 -21.738 1.00 0.00 O ATOM 939 ND2 ASN A 61 -7.752 13.825 -20.028 1.00 0.00 N ATOM 0 H ASN A 61 -3.957 14.329 -22.677 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.145 15.953 -21.734 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.952 14.137 -19.296 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.998 15.540 -19.386 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.508 13.274 -20.435 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.890 14.300 -19.136 1.00 0.00 H new ATOM 946 N GLU A 62 -2.581 16.806 -20.945 1.00 0.00 N ATOM 947 CA GLU A 62 -1.631 17.752 -20.372 1.00 0.00 C ATOM 948 C GLU A 62 -1.655 19.075 -21.131 1.00 0.00 C ATOM 949 O GLU A 62 -0.800 19.334 -21.977 1.00 0.00 O ATOM 950 CB GLU A 62 -0.217 17.165 -20.393 1.00 0.00 C ATOM 951 CG GLU A 62 0.691 17.727 -19.312 1.00 0.00 C ATOM 952 CD GLU A 62 0.631 16.926 -18.026 1.00 0.00 C ATOM 953 OE1 GLU A 62 0.227 15.746 -18.081 1.00 0.00 O ATOM 954 OE2 GLU A 62 0.987 17.480 -16.965 1.00 0.00 O ATOM 0 H GLU A 62 -2.349 16.493 -21.888 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.924 17.940 -19.339 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.280 16.083 -20.277 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.232 17.355 -21.368 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.718 17.744 -19.678 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.409 18.760 -19.106 1.00 0.00 H new ATOM 961 N SER A 63 -2.643 19.910 -20.822 1.00 0.00 N ATOM 962 CA SER A 63 -2.783 21.205 -21.477 1.00 0.00 C ATOM 963 C SER A 63 -2.774 22.336 -20.454 1.00 0.00 C ATOM 964 O SER A 63 -2.224 23.408 -20.701 1.00 0.00 O ATOM 965 CB SER A 63 -4.077 21.250 -22.293 1.00 0.00 C ATOM 966 OG SER A 63 -5.206 21.003 -21.473 1.00 0.00 O ATOM 0 H SER A 63 -3.358 19.712 -20.122 1.00 0.00 H new ATOM 0 HA SER A 63 -1.934 21.339 -22.147 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.176 22.225 -22.770 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.034 20.508 -23.091 1.00 0.00 H new ATOM 0 HG SER A 63 -6.020 21.039 -22.018 1.00 0.00 H new ATOM 972 N GLY A 64 -3.389 22.087 -19.301 1.00 0.00 N ATOM 973 CA GLY A 64 -3.441 23.093 -18.256 1.00 0.00 C ATOM 974 C GLY A 64 -2.919 22.578 -16.929 1.00 0.00 C ATOM 975 O GLY A 64 -3.696 22.283 -16.020 1.00 0.00 O ATOM 0 H GLY A 64 -3.852 21.207 -19.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.856 23.960 -18.561 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.470 23.431 -18.132 1.00 0.00 H new ATOM 979 N LYS A 65 -1.600 22.467 -16.817 1.00 0.00 N ATOM 980 CA LYS A 65 -0.974 21.984 -15.592 1.00 0.00 C ATOM 981 C LYS A 65 0.147 22.918 -15.148 1.00 0.00 C ATOM 982 O LYS A 65 0.808 23.548 -15.974 1.00 0.00 O ATOM 983 CB LYS A 65 -0.422 20.571 -15.800 1.00 0.00 C ATOM 984 CG LYS A 65 -1.489 19.546 -16.142 1.00 0.00 C ATOM 985 CD LYS A 65 -2.338 19.199 -14.931 1.00 0.00 C ATOM 986 CE LYS A 65 -3.586 18.424 -15.327 1.00 0.00 C ATOM 987 NZ LYS A 65 -4.613 19.307 -15.948 1.00 0.00 N ATOM 0 H LYS A 65 -0.943 22.705 -17.560 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.734 21.960 -14.811 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.318 20.593 -16.600 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.096 20.255 -14.895 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.127 19.935 -16.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.016 18.642 -16.527 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.749 18.608 -14.230 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.626 20.114 -14.413 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.316 17.633 -16.027 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.008 17.940 -14.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.491 19.263 -15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.264 20.286 -15.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.802 18.989 -16.920 1.00 0.00 H new ATOM 1001 N LYS A 66 0.357 23.003 -13.839 1.00 0.00 N ATOM 1002 CA LYS A 66 1.399 23.858 -13.284 1.00 0.00 C ATOM 1003 C LYS A 66 2.651 23.824 -14.155 1.00 0.00 C ATOM 1004 O LYS A 66 3.271 22.774 -14.329 1.00 0.00 O ATOM 1005 CB LYS A 66 1.744 23.419 -11.859 1.00 0.00 C ATOM 1006 CG LYS A 66 2.498 24.471 -11.064 1.00 0.00 C ATOM 1007 CD LYS A 66 1.587 25.612 -10.645 1.00 0.00 C ATOM 1008 CE LYS A 66 0.948 25.347 -9.291 1.00 0.00 C ATOM 1009 NZ LYS A 66 0.671 26.609 -8.551 1.00 0.00 N ATOM 0 H LYS A 66 -0.182 22.489 -13.142 1.00 0.00 H new ATOM 0 HA LYS A 66 1.021 24.880 -13.260 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.823 23.168 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.344 22.510 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.939 24.013 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.320 24.862 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.159 26.539 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.808 25.751 -11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.018 24.796 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.607 24.715 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.236 26.385 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.562 27.123 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.022 27.202 -9.107 1.00 0.00 H new ATOM 1023 N THR A 67 3.020 24.980 -14.699 1.00 0.00 N ATOM 1024 CA THR A 67 4.198 25.082 -15.551 1.00 0.00 C ATOM 1025 C THR A 67 5.282 25.926 -14.891 1.00 0.00 C ATOM 1026 O THR A 67 5.177 27.151 -14.831 1.00 0.00 O ATOM 1027 CB THR A 67 3.849 25.693 -16.921 1.00 0.00 C ATOM 1028 OG1 THR A 67 2.866 24.888 -17.581 1.00 0.00 O ATOM 1029 CG2 THR A 67 5.089 25.807 -17.795 1.00 0.00 C ATOM 0 H THR A 67 2.520 25.859 -14.564 1.00 0.00 H new ATOM 0 HA THR A 67 4.571 24.068 -15.698 1.00 0.00 H new ATOM 0 HB THR A 67 3.447 26.693 -16.756 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.216 24.561 -16.924 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.817 26.241 -18.757 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.823 26.445 -17.303 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.516 24.816 -17.952 1.00 0.00 H new ATOM 1037 N SER A 68 6.324 25.264 -14.399 1.00 0.00 N ATOM 1038 CA SER A 68 7.426 25.955 -13.740 1.00 0.00 C ATOM 1039 C SER A 68 8.770 25.427 -14.234 1.00 0.00 C ATOM 1040 O SER A 68 8.829 24.461 -14.993 1.00 0.00 O ATOM 1041 CB SER A 68 7.327 25.787 -12.223 1.00 0.00 C ATOM 1042 OG SER A 68 7.699 24.478 -11.828 1.00 0.00 O ATOM 0 H SER A 68 6.428 24.250 -14.444 1.00 0.00 H new ATOM 0 HA SER A 68 7.357 27.015 -13.986 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.971 26.515 -11.731 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.307 25.992 -11.897 1.00 0.00 H new ATOM 0 HG SER A 68 7.629 24.398 -10.854 1.00 0.00 H new ATOM 1048 N GLY A 69 9.848 26.071 -13.798 1.00 0.00 N ATOM 1049 CA GLY A 69 11.177 25.654 -14.205 1.00 0.00 C ATOM 1050 C GLY A 69 11.485 26.022 -15.643 1.00 0.00 C ATOM 1051 O GLY A 69 10.681 26.651 -16.331 1.00 0.00 O ATOM 0 H GLY A 69 9.825 26.874 -13.170 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.916 26.115 -13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.270 24.575 -14.081 1.00 0.00 H new ATOM 1055 N PRO A 70 12.675 25.625 -16.118 1.00 0.00 N ATOM 1056 CA PRO A 70 13.114 25.907 -17.488 1.00 0.00 C ATOM 1057 C PRO A 70 12.327 25.113 -18.524 1.00 0.00 C ATOM 1058 O PRO A 70 12.397 25.395 -19.720 1.00 0.00 O ATOM 1059 CB PRO A 70 14.583 25.474 -17.485 1.00 0.00 C ATOM 1060 CG PRO A 70 14.675 24.453 -16.404 1.00 0.00 C ATOM 1061 CD PRO A 70 13.683 24.871 -15.354 1.00 0.00 C ATOM 0 HA PRO A 70 12.963 26.952 -17.757 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.875 25.057 -18.449 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.244 26.318 -17.289 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.443 23.459 -16.786 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.684 24.410 -15.993 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.244 24.010 -14.850 1.00 0.00 H new ATOM 0 HD3 PRO A 70 14.148 25.487 -14.585 1.00 0.00 H new ATOM 1069 N SER A 71 11.577 24.120 -18.058 1.00 0.00 N ATOM 1070 CA SER A 71 10.779 23.282 -18.945 1.00 0.00 C ATOM 1071 C SER A 71 11.565 22.918 -20.201 1.00 0.00 C ATOM 1072 O SER A 71 11.030 22.940 -21.309 1.00 0.00 O ATOM 1073 CB SER A 71 9.484 24.001 -19.331 1.00 0.00 C ATOM 1074 OG SER A 71 8.673 24.235 -18.193 1.00 0.00 O ATOM 0 H SER A 71 11.505 23.876 -17.070 1.00 0.00 H new ATOM 0 HA SER A 71 10.532 22.363 -18.413 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.721 24.949 -19.814 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.934 23.402 -20.057 1.00 0.00 H new ATOM 0 HG SER A 71 7.853 24.697 -18.465 1.00 0.00 H new ATOM 1080 N SER A 72 12.838 22.582 -20.018 1.00 0.00 N ATOM 1081 CA SER A 72 13.700 22.216 -21.135 1.00 0.00 C ATOM 1082 C SER A 72 13.539 20.740 -21.485 1.00 0.00 C ATOM 1083 O SER A 72 12.934 19.975 -20.735 1.00 0.00 O ATOM 1084 CB SER A 72 15.162 22.515 -20.798 1.00 0.00 C ATOM 1085 OG SER A 72 15.328 23.865 -20.401 1.00 0.00 O ATOM 0 H SER A 72 13.295 22.556 -19.106 1.00 0.00 H new ATOM 0 HA SER A 72 13.405 22.811 -21.999 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.497 21.854 -19.999 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.788 22.308 -21.666 1.00 0.00 H new ATOM 0 HG SER A 72 16.271 24.030 -20.189 1.00 0.00 H new ATOM 1091 N GLY A 73 14.085 20.347 -22.632 1.00 0.00 N ATOM 1092 CA GLY A 73 13.991 18.964 -23.063 1.00 0.00 C ATOM 1093 C GLY A 73 14.528 18.756 -24.465 1.00 0.00 C ATOM 1094 O GLY A 73 14.315 19.613 -25.321 1.00 0.00 O ATOM 0 H GLY A 73 14.591 20.961 -23.270 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.544 18.332 -22.368 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.949 18.645 -23.025 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 1.058 -0.461 -5.839 1.00 0.00 ZN