USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.635 K(o=-0.36,f=-2.2!) USER MOD Set 1.2: A 29 SER OG : rot 109:sc= 0.28 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 14 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-6.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.62 K(o=-0.62,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -3.11! X(o=-3.1!,f=-3.4) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.8!) USER MOD Single : A 39 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.046) USER MOD Single : A 49 GLN : amide:sc= -0.0048 K(o=-0.0048,f=-0.95) USER MOD Single : A 50 SER OG : rot -43:sc= 0.0371 USER MOD Single : A 52 GLN : amide:sc= -2.8 K(o=-2.8,f=-7.4!) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= -1.71 (180deg=-1.89) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.223 (180deg=-1.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 50:sc= 0.0929 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -149:sc= -0.239 (180deg=-0.384) USER MOD Single : A 66 THR OG1 : rot -150:sc= 0.282 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 CYS SG : rot 87:sc= 0.278 USER MOD Single : A 80 MET CE :methyl -177:sc= 0 (180deg=-0.0272) USER MOD Single : A 84 LYS NZ :NH3+ -167:sc=-0.00592 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.058 11.315 11.725 1.00 0.00 N ATOM 60 CA GLY A 7 5.057 10.403 11.203 1.00 0.00 C ATOM 61 C GLY A 7 3.670 11.013 11.182 1.00 0.00 C ATOM 62 O GLY A 7 3.512 12.221 11.363 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.334 10.104 10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.043 9.498 11.810 1.00 0.00 H new ATOM 66 N LEU A 8 2.661 10.179 10.958 1.00 0.00 N ATOM 67 CA LEU A 8 1.279 10.643 10.912 1.00 0.00 C ATOM 68 C LEU A 8 0.347 9.650 11.598 1.00 0.00 C ATOM 69 O LEU A 8 0.621 8.450 11.638 1.00 0.00 O ATOM 70 CB LEU A 8 0.840 10.855 9.462 1.00 0.00 C ATOM 71 CG LEU A 8 1.000 9.653 8.530 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.055 9.682 7.435 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.397 9.629 7.927 1.00 0.00 C ATOM 0 H LEU A 8 2.774 9.177 10.805 1.00 0.00 H new ATOM 0 HA LEU A 8 1.223 11.592 11.445 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.208 11.153 9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.409 11.688 9.049 1.00 0.00 H new ATOM 0 HG LEU A 8 0.862 8.743 9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.075 8.819 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.047 9.651 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.050 10.597 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.493 8.767 7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.563 10.543 7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.136 9.559 8.725 1.00 0.00 H new ATOM 85 N THR A 9 -0.757 10.157 12.137 1.00 0.00 N ATOM 86 CA THR A 9 -1.731 9.315 12.821 1.00 0.00 C ATOM 87 C THR A 9 -2.960 9.078 11.950 1.00 0.00 C ATOM 88 O THR A 9 -3.848 9.926 11.868 1.00 0.00 O ATOM 89 CB THR A 9 -2.175 9.941 14.157 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.041 10.129 15.010 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.199 9.058 14.853 1.00 0.00 C ATOM 0 H THR A 9 -0.999 11.148 12.113 1.00 0.00 H new ATOM 0 HA THR A 9 -1.241 8.362 13.020 1.00 0.00 H new ATOM 0 HB THR A 9 -2.634 10.907 13.947 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.331 10.529 15.856 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.498 9.520 15.794 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.073 8.940 14.213 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.761 8.080 15.052 1.00 0.00 H new ATOM 99 N VAL A 10 -3.005 7.918 11.302 1.00 0.00 N ATOM 100 CA VAL A 10 -4.127 7.568 10.439 1.00 0.00 C ATOM 101 C VAL A 10 -4.725 6.223 10.834 1.00 0.00 C ATOM 102 O VAL A 10 -4.002 5.261 11.096 1.00 0.00 O ATOM 103 CB VAL A 10 -3.701 7.514 8.960 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.427 6.699 8.800 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.821 6.941 8.104 1.00 0.00 C ATOM 0 H VAL A 10 -2.278 7.205 11.358 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.879 8.347 10.565 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.498 8.530 8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.142 6.672 7.748 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.627 7.157 9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.598 5.683 9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.503 6.910 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.057 5.932 8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.706 7.570 8.195 1.00 0.00 H new ATOM 115 N THR A 11 -6.053 6.161 10.874 1.00 0.00 N ATOM 116 CA THR A 11 -6.750 4.933 11.237 1.00 0.00 C ATOM 117 C THR A 11 -6.968 4.044 10.019 1.00 0.00 C ATOM 118 O THR A 11 -7.144 4.534 8.903 1.00 0.00 O ATOM 119 CB THR A 11 -8.112 5.233 11.891 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.921 5.681 13.238 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.000 3.998 11.882 1.00 0.00 C ATOM 0 H THR A 11 -6.667 6.947 10.659 1.00 0.00 H new ATOM 0 HA THR A 11 -6.118 4.411 11.955 1.00 0.00 H new ATOM 0 HB THR A 11 -8.602 6.017 11.315 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.791 5.871 13.646 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.956 4.234 12.349 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.168 3.678 10.854 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.513 3.196 12.437 1.00 0.00 H new ATOM 129 N VAL A 12 -6.958 2.733 10.239 1.00 0.00 N ATOM 130 CA VAL A 12 -7.157 1.774 9.159 1.00 0.00 C ATOM 131 C VAL A 12 -8.247 0.768 9.511 1.00 0.00 C ATOM 132 O VAL A 12 -8.066 -0.079 10.386 1.00 0.00 O ATOM 133 CB VAL A 12 -5.857 1.015 8.836 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.141 -0.162 7.915 1.00 0.00 C ATOM 135 CG2 VAL A 12 -4.832 1.952 8.215 1.00 0.00 C ATOM 0 H VAL A 12 -6.814 2.311 11.156 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.463 2.344 8.282 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.443 0.627 9.767 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.211 -0.687 7.698 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.837 -0.845 8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.579 0.201 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.920 1.398 7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.234 2.372 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.606 2.758 8.913 1.00 0.00 H new ATOM 145 N THR A 13 -9.380 0.866 8.822 1.00 0.00 N ATOM 146 CA THR A 13 -10.500 -0.035 9.062 1.00 0.00 C ATOM 147 C THR A 13 -10.333 -1.338 8.289 1.00 0.00 C ATOM 148 O THR A 13 -10.093 -1.329 7.081 1.00 0.00 O ATOM 149 CB THR A 13 -11.839 0.615 8.666 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.124 1.718 9.534 1.00 0.00 O ATOM 151 CG2 THR A 13 -12.973 -0.396 8.734 1.00 0.00 C ATOM 0 H THR A 13 -9.546 1.560 8.093 1.00 0.00 H new ATOM 0 HA THR A 13 -10.510 -0.248 10.131 1.00 0.00 H new ATOM 0 HB THR A 13 -11.754 0.973 7.640 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.976 2.127 9.275 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.908 0.087 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.768 -1.220 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.057 -0.781 9.750 1.00 0.00 H new ATOM 159 N HIS A 14 -10.461 -2.459 8.992 1.00 0.00 N ATOM 160 CA HIS A 14 -10.325 -3.772 8.371 1.00 0.00 C ATOM 161 C HIS A 14 -11.494 -4.676 8.751 1.00 0.00 C ATOM 162 O HIS A 14 -12.370 -4.952 7.932 1.00 0.00 O ATOM 163 CB HIS A 14 -9.005 -4.422 8.786 1.00 0.00 C ATOM 164 CG HIS A 14 -8.694 -5.679 8.034 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.470 -6.890 8.652 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.572 -5.908 6.705 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.221 -7.810 7.737 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.278 -7.240 6.547 1.00 0.00 N ATOM 0 H HIS A 14 -10.659 -2.484 9.992 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.330 -3.638 7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.195 -3.708 8.635 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.039 -4.645 9.852 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.493 -7.051 9.659 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.685 -5.179 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.007 -8.851 7.929 1.00 0.00 H new ATOM 177 N SER A 15 -11.499 -5.136 9.998 1.00 0.00 N ATOM 178 CA SER A 15 -12.556 -6.013 10.486 1.00 0.00 C ATOM 179 C SER A 15 -13.765 -5.204 10.944 1.00 0.00 C ATOM 180 O SER A 15 -14.020 -5.071 12.141 1.00 0.00 O ATOM 181 CB SER A 15 -12.041 -6.878 11.637 1.00 0.00 C ATOM 182 OG SER A 15 -12.732 -8.114 11.697 1.00 0.00 O ATOM 0 H SER A 15 -10.782 -4.915 10.689 1.00 0.00 H new ATOM 0 HA SER A 15 -12.864 -6.661 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.974 -7.061 11.509 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.162 -6.344 12.579 1.00 0.00 H new ATOM 0 HG SER A 15 -12.382 -8.648 12.440 1.00 0.00 H new ATOM 188 N ASN A 16 -14.508 -4.664 9.983 1.00 0.00 N ATOM 189 CA ASN A 16 -15.690 -3.866 10.287 1.00 0.00 C ATOM 190 C ASN A 16 -15.447 -2.974 11.500 1.00 0.00 C ATOM 191 O ASN A 16 -16.385 -2.591 12.198 1.00 0.00 O ATOM 192 CB ASN A 16 -16.893 -4.777 10.542 1.00 0.00 C ATOM 193 CG ASN A 16 -18.182 -3.996 10.716 1.00 0.00 C ATOM 194 OD1 ASN A 16 -18.368 -2.941 10.110 1.00 0.00 O ATOM 195 ND2 ASN A 16 -19.079 -4.514 11.547 1.00 0.00 N ATOM 0 H ASN A 16 -14.312 -4.765 8.987 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.900 -3.230 9.427 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.002 -5.472 9.710 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.710 -5.375 11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -19.965 -4.034 11.704 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.882 -5.392 12.028 1.00 0.00 H new ATOM 202 N GLU A 17 -14.182 -2.647 11.743 1.00 0.00 N ATOM 203 CA GLU A 17 -13.816 -1.799 12.872 1.00 0.00 C ATOM 204 C GLU A 17 -12.749 -0.786 12.469 1.00 0.00 C ATOM 205 O GLU A 17 -12.369 -0.699 11.301 1.00 0.00 O ATOM 206 CB GLU A 17 -13.310 -2.654 14.037 1.00 0.00 C ATOM 207 CG GLU A 17 -14.370 -3.570 14.625 1.00 0.00 C ATOM 208 CD GLU A 17 -15.154 -2.911 15.744 1.00 0.00 C ATOM 209 OE1 GLU A 17 -15.905 -1.955 15.460 1.00 0.00 O ATOM 210 OE2 GLU A 17 -15.016 -3.354 16.904 1.00 0.00 O ATOM 0 H GLU A 17 -13.394 -2.956 11.174 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.706 -1.255 13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.469 -3.258 13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.933 -1.998 14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.057 -3.877 13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.894 -4.475 15.003 1.00 0.00 H new ATOM 217 N LYS A 18 -12.270 -0.021 13.444 1.00 0.00 N ATOM 218 CA LYS A 18 -11.246 0.987 13.193 1.00 0.00 C ATOM 219 C LYS A 18 -10.001 0.718 14.033 1.00 0.00 C ATOM 220 O LYS A 18 -10.092 0.485 15.239 1.00 0.00 O ATOM 221 CB LYS A 18 -11.790 2.384 13.501 1.00 0.00 C ATOM 222 CG LYS A 18 -12.445 3.058 12.307 1.00 0.00 C ATOM 223 CD LYS A 18 -12.647 4.544 12.548 1.00 0.00 C ATOM 224 CE LYS A 18 -13.702 4.798 13.613 1.00 0.00 C ATOM 225 NZ LYS A 18 -15.082 4.633 13.078 1.00 0.00 N ATOM 0 H LYS A 18 -12.574 -0.080 14.416 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.971 0.935 12.140 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.516 2.312 14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.974 3.012 13.860 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.826 2.913 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.407 2.587 12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.703 4.995 12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.944 5.027 11.617 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.551 4.111 14.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.584 5.807 14.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.772 4.815 13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.236 5.306 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.204 3.662 12.725 1.00 0.00 H new ATOM 239 N HIS A 19 -8.839 0.754 13.388 1.00 0.00 N ATOM 240 CA HIS A 19 -7.576 0.517 14.077 1.00 0.00 C ATOM 241 C HIS A 19 -6.610 1.677 13.856 1.00 0.00 C ATOM 242 O HIS A 19 -6.055 1.837 12.769 1.00 0.00 O ATOM 243 CB HIS A 19 -6.943 -0.788 13.592 1.00 0.00 C ATOM 244 CG HIS A 19 -7.762 -2.003 13.903 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.812 -2.576 15.156 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.568 -2.753 13.115 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.612 -3.627 15.126 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.084 -3.756 13.899 1.00 0.00 N ATOM 0 H HIS A 19 -8.746 0.945 12.390 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.783 0.438 15.144 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.790 -0.729 12.514 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.959 -0.897 14.048 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.768 -2.593 12.066 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.841 -4.271 15.962 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.727 -4.483 13.585 1.00 0.00 H new ATOM 257 N ASP A 20 -6.415 2.484 14.893 1.00 0.00 N ATOM 258 CA ASP A 20 -5.516 3.630 14.812 1.00 0.00 C ATOM 259 C ASP A 20 -4.065 3.175 14.694 1.00 0.00 C ATOM 260 O ASP A 20 -3.574 2.408 15.524 1.00 0.00 O ATOM 261 CB ASP A 20 -5.685 4.525 16.041 1.00 0.00 C ATOM 262 CG ASP A 20 -5.466 3.773 17.339 1.00 0.00 C ATOM 263 OD1 ASP A 20 -6.438 3.181 17.853 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.322 3.778 17.842 1.00 0.00 O ATOM 0 H ASP A 20 -6.867 2.366 15.800 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.773 4.200 13.919 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.981 5.355 15.982 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.686 4.956 16.038 1.00 0.00 H new ATOM 269 N LEU A 21 -3.384 3.651 13.658 1.00 0.00 N ATOM 270 CA LEU A 21 -1.988 3.292 13.430 1.00 0.00 C ATOM 271 C LEU A 21 -1.134 4.538 13.216 1.00 0.00 C ATOM 272 O LEU A 21 -1.606 5.543 12.684 1.00 0.00 O ATOM 273 CB LEU A 21 -1.870 2.365 12.220 1.00 0.00 C ATOM 274 CG LEU A 21 -2.874 1.213 12.156 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.794 0.509 10.811 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.630 0.229 13.291 1.00 0.00 C ATOM 0 H LEU A 21 -3.775 4.286 12.962 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.623 2.771 14.315 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.978 2.965 11.316 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.864 1.945 12.206 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.877 1.624 12.268 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.516 -0.308 10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.019 1.219 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.790 0.110 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.354 -0.584 13.230 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.621 -0.176 13.211 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.740 0.741 14.247 1.00 0.00 H new ATOM 288 N HIS A 22 0.126 4.464 13.632 1.00 0.00 N ATOM 289 CA HIS A 22 1.048 5.584 13.483 1.00 0.00 C ATOM 290 C HIS A 22 2.073 5.303 12.388 1.00 0.00 C ATOM 291 O HIS A 22 2.954 4.460 12.550 1.00 0.00 O ATOM 292 CB HIS A 22 1.762 5.864 14.805 1.00 0.00 C ATOM 293 CG HIS A 22 2.990 6.709 14.656 1.00 0.00 C ATOM 294 ND1 HIS A 22 4.158 6.466 15.347 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.228 7.798 13.888 1.00 0.00 C ATOM 296 CE1 HIS A 22 5.061 7.370 15.012 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.522 8.190 14.127 1.00 0.00 N ATOM 0 H HIS A 22 0.532 3.640 14.075 1.00 0.00 H new ATOM 0 HA HIS A 22 0.469 6.463 13.198 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.069 6.361 15.484 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.037 4.916 15.268 1.00 0.00 H new ATOM 0 HD1 HIS A 22 4.302 5.707 16.013 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.530 8.271 13.213 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.069 7.429 15.396 1.00 0.00 H new ATOM 306 N VAL A 23 1.949 6.015 11.272 1.00 0.00 N ATOM 307 CA VAL A 23 2.865 5.843 10.150 1.00 0.00 C ATOM 308 C VAL A 23 4.136 6.661 10.347 1.00 0.00 C ATOM 309 O VAL A 23 4.094 7.781 10.858 1.00 0.00 O ATOM 310 CB VAL A 23 2.205 6.251 8.819 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.978 5.677 7.642 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.752 5.801 8.785 1.00 0.00 C ATOM 0 H VAL A 23 1.224 6.716 11.121 1.00 0.00 H new ATOM 0 HA VAL A 23 3.121 4.784 10.110 1.00 0.00 H new ATOM 0 HB VAL A 23 2.226 7.338 8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.497 5.976 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.001 6.054 7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.991 4.589 7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.301 6.097 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.704 4.717 8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.208 6.266 9.607 1.00 0.00 H new ATOM 322 N THR A 24 5.267 6.095 9.937 1.00 0.00 N ATOM 323 CA THR A 24 6.551 6.772 10.069 1.00 0.00 C ATOM 324 C THR A 24 7.398 6.591 8.815 1.00 0.00 C ATOM 325 O THR A 24 7.123 5.722 7.988 1.00 0.00 O ATOM 326 CB THR A 24 7.339 6.250 11.286 1.00 0.00 C ATOM 327 OG1 THR A 24 7.578 4.845 11.149 1.00 0.00 O ATOM 328 CG2 THR A 24 6.579 6.517 12.577 1.00 0.00 C ATOM 0 H THR A 24 5.320 5.170 9.511 1.00 0.00 H new ATOM 0 HA THR A 24 6.337 7.831 10.211 1.00 0.00 H new ATOM 0 HB THR A 24 8.292 6.777 11.328 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.081 4.521 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.154 6.140 13.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.424 7.590 12.693 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.613 6.013 12.542 1.00 0.00 H new ATOM 336 N SER A 25 8.431 7.418 8.680 1.00 0.00 N ATOM 337 CA SER A 25 9.317 7.351 7.524 1.00 0.00 C ATOM 338 C SER A 25 10.153 6.076 7.553 1.00 0.00 C ATOM 339 O SER A 25 10.167 5.353 8.549 1.00 0.00 O ATOM 340 CB SER A 25 10.234 8.575 7.487 1.00 0.00 C ATOM 341 OG SER A 25 11.177 8.538 8.544 1.00 0.00 O ATOM 0 H SER A 25 8.674 8.141 9.357 1.00 0.00 H new ATOM 0 HA SER A 25 8.701 7.340 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.756 8.613 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.636 9.483 7.560 1.00 0.00 H new ATOM 0 HG SER A 25 11.752 9.330 8.497 1.00 0.00 H new ATOM 347 N GLN A 26 10.849 5.806 6.453 1.00 0.00 N ATOM 348 CA GLN A 26 11.687 4.618 6.352 1.00 0.00 C ATOM 349 C GLN A 26 13.126 4.931 6.749 1.00 0.00 C ATOM 350 O GLN A 26 14.069 4.536 6.064 1.00 0.00 O ATOM 351 CB GLN A 26 11.649 4.061 4.928 1.00 0.00 C ATOM 352 CG GLN A 26 10.257 3.656 4.470 1.00 0.00 C ATOM 353 CD GLN A 26 9.484 4.811 3.864 1.00 0.00 C ATOM 354 OE1 GLN A 26 8.426 5.194 4.363 1.00 0.00 O ATOM 355 NE2 GLN A 26 10.009 5.372 2.781 1.00 0.00 N ATOM 0 H GLN A 26 10.849 6.394 5.620 1.00 0.00 H new ATOM 0 HA GLN A 26 11.294 3.868 7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.044 4.811 4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.309 3.195 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.339 2.854 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.701 3.257 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.889 5.022 2.401 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.533 6.153 2.329 1.00 0.00 H new ATOM 364 N GLN A 27 13.286 5.644 7.860 1.00 0.00 N ATOM 365 CA GLN A 27 14.610 6.011 8.347 1.00 0.00 C ATOM 366 C GLN A 27 15.546 6.337 7.188 1.00 0.00 C ATOM 367 O GLN A 27 16.668 5.836 7.123 1.00 0.00 O ATOM 368 CB GLN A 27 15.199 4.878 9.190 1.00 0.00 C ATOM 369 CG GLN A 27 16.147 5.357 10.277 1.00 0.00 C ATOM 370 CD GLN A 27 17.198 4.324 10.632 1.00 0.00 C ATOM 371 OE1 GLN A 27 17.065 3.601 11.620 1.00 0.00 O ATOM 372 NE2 GLN A 27 18.251 4.248 9.827 1.00 0.00 N ATOM 0 H GLN A 27 12.516 5.978 8.439 1.00 0.00 H new ATOM 0 HA GLN A 27 14.507 6.901 8.968 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.385 4.318 9.650 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.730 4.187 8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.639 6.272 9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.573 5.608 11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.321 4.867 9.019 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.990 3.571 10.017 1.00 0.00 H new ATOM 381 N GLY A 28 15.076 7.180 6.274 1.00 0.00 N ATOM 382 CA GLY A 28 15.884 7.558 5.129 1.00 0.00 C ATOM 383 C GLY A 28 15.180 8.551 4.225 1.00 0.00 C ATOM 384 O GLY A 28 15.813 9.440 3.656 1.00 0.00 O ATOM 0 H GLY A 28 14.151 7.608 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.822 7.990 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.137 6.666 4.556 1.00 0.00 H new ATOM 388 N SER A 29 13.866 8.399 4.091 1.00 0.00 N ATOM 389 CA SER A 29 13.076 9.286 3.246 1.00 0.00 C ATOM 390 C SER A 29 12.539 10.466 4.049 1.00 0.00 C ATOM 391 O SER A 29 11.951 10.289 5.117 1.00 0.00 O ATOM 392 CB SER A 29 11.916 8.519 2.608 1.00 0.00 C ATOM 393 OG SER A 29 11.064 7.968 3.597 1.00 0.00 O ATOM 0 H SER A 29 13.326 7.670 4.557 1.00 0.00 H new ATOM 0 HA SER A 29 13.725 9.670 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.345 9.187 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.307 7.722 1.975 1.00 0.00 H new ATOM 0 HG SER A 29 10.211 8.451 3.600 1.00 0.00 H new ATOM 399 N SER A 30 12.745 11.672 3.528 1.00 0.00 N ATOM 400 CA SER A 30 12.285 12.883 4.198 1.00 0.00 C ATOM 401 C SER A 30 10.893 12.682 4.788 1.00 0.00 C ATOM 402 O SER A 30 10.630 13.061 5.929 1.00 0.00 O ATOM 403 CB SER A 30 12.272 14.059 3.219 1.00 0.00 C ATOM 404 OG SER A 30 12.089 15.287 3.901 1.00 0.00 O ATOM 0 H SER A 30 13.227 11.836 2.644 1.00 0.00 H new ATOM 0 HA SER A 30 12.976 13.104 5.011 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.209 14.084 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.473 13.921 2.491 1.00 0.00 H new ATOM 0 HG SER A 30 12.086 16.023 3.254 1.00 0.00 H new ATOM 410 N GLU A 31 10.004 12.084 4.001 1.00 0.00 N ATOM 411 CA GLU A 31 8.638 11.833 4.445 1.00 0.00 C ATOM 412 C GLU A 31 8.216 10.402 4.127 1.00 0.00 C ATOM 413 O GLU A 31 8.659 9.800 3.149 1.00 0.00 O ATOM 414 CB GLU A 31 7.674 12.820 3.782 1.00 0.00 C ATOM 415 CG GLU A 31 7.773 12.843 2.266 1.00 0.00 C ATOM 416 CD GLU A 31 6.546 13.446 1.610 1.00 0.00 C ATOM 417 OE1 GLU A 31 5.429 13.215 2.118 1.00 0.00 O ATOM 418 OE2 GLU A 31 6.703 14.148 0.590 1.00 0.00 O ATOM 0 H GLU A 31 10.205 11.765 3.053 1.00 0.00 H new ATOM 0 HA GLU A 31 8.603 11.971 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.653 12.565 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.871 13.821 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.655 13.413 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.914 11.826 1.899 1.00 0.00 H new ATOM 425 N PRO A 32 7.338 9.842 4.973 1.00 0.00 N ATOM 426 CA PRO A 32 6.837 8.475 4.804 1.00 0.00 C ATOM 427 C PRO A 32 5.910 8.342 3.600 1.00 0.00 C ATOM 428 O PRO A 32 5.187 9.276 3.255 1.00 0.00 O ATOM 429 CB PRO A 32 6.068 8.216 6.102 1.00 0.00 C ATOM 430 CG PRO A 32 5.666 9.568 6.580 1.00 0.00 C ATOM 431 CD PRO A 32 6.768 10.501 6.160 1.00 0.00 C ATOM 0 HA PRO A 32 7.644 7.765 4.621 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.198 7.583 5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.691 7.706 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.713 9.868 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.538 9.577 7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.386 11.494 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.512 10.625 6.947 1.00 0.00 H new ATOM 439 N VAL A 33 5.937 7.175 2.965 1.00 0.00 N ATOM 440 CA VAL A 33 5.098 6.919 1.800 1.00 0.00 C ATOM 441 C VAL A 33 4.171 5.733 2.040 1.00 0.00 C ATOM 442 O VAL A 33 4.296 5.026 3.040 1.00 0.00 O ATOM 443 CB VAL A 33 5.947 6.647 0.545 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.810 7.854 0.211 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.806 5.406 0.742 1.00 0.00 C ATOM 0 H VAL A 33 6.531 6.392 3.237 1.00 0.00 H new ATOM 0 HA VAL A 33 4.501 7.816 1.638 1.00 0.00 H new ATOM 0 HB VAL A 33 5.275 6.468 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.403 7.642 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.171 8.718 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.475 8.068 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.400 5.228 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.470 5.555 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.164 4.545 0.929 1.00 0.00 H new ATOM 455 N VAL A 34 3.239 5.520 1.116 1.00 0.00 N ATOM 456 CA VAL A 34 2.291 4.418 1.226 1.00 0.00 C ATOM 457 C VAL A 34 2.987 3.137 1.671 1.00 0.00 C ATOM 458 O VAL A 34 2.445 2.369 2.466 1.00 0.00 O ATOM 459 CB VAL A 34 1.573 4.160 -0.112 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.829 2.834 -0.072 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.624 5.304 -0.436 1.00 0.00 C ATOM 0 H VAL A 34 3.121 6.096 0.283 1.00 0.00 H new ATOM 0 HA VAL A 34 1.555 4.708 1.976 1.00 0.00 H new ATOM 0 HB VAL A 34 2.322 4.105 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.328 2.669 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.536 2.025 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.089 2.856 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.125 5.105 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.121 5.393 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.187 6.234 -0.510 1.00 0.00 H new ATOM 471 N GLN A 35 4.191 2.913 1.154 1.00 0.00 N ATOM 472 CA GLN A 35 4.961 1.724 1.499 1.00 0.00 C ATOM 473 C GLN A 35 4.902 1.453 2.999 1.00 0.00 C ATOM 474 O GLN A 35 4.532 0.361 3.429 1.00 0.00 O ATOM 475 CB GLN A 35 6.416 1.886 1.055 1.00 0.00 C ATOM 476 CG GLN A 35 7.226 0.603 1.145 1.00 0.00 C ATOM 477 CD GLN A 35 6.504 -0.587 0.542 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.471 -0.754 -0.677 1.00 0.00 O ATOM 479 NE2 GLN A 35 5.922 -1.421 1.396 1.00 0.00 N ATOM 0 H GLN A 35 4.654 3.539 0.495 1.00 0.00 H new ATOM 0 HA GLN A 35 4.522 0.874 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.435 2.247 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.892 2.650 1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.178 0.743 0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.453 0.394 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.975 -1.243 2.399 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.422 -2.240 1.049 1.00 0.00 H new ATOM 488 N ASP A 36 5.270 2.455 3.790 1.00 0.00 N ATOM 489 CA ASP A 36 5.258 2.326 5.243 1.00 0.00 C ATOM 490 C ASP A 36 3.857 1.995 5.748 1.00 0.00 C ATOM 491 O ASP A 36 3.683 1.123 6.600 1.00 0.00 O ATOM 492 CB ASP A 36 5.757 3.616 5.895 1.00 0.00 C ATOM 493 CG ASP A 36 6.391 3.372 7.251 1.00 0.00 C ATOM 494 OD1 ASP A 36 5.640 3.188 8.232 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.637 3.365 7.331 1.00 0.00 O ATOM 0 H ASP A 36 5.580 3.365 3.450 1.00 0.00 H new ATOM 0 HA ASP A 36 5.925 1.509 5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.484 4.094 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.923 4.309 6.006 1.00 0.00 H new ATOM 500 N LEU A 37 2.862 2.696 5.217 1.00 0.00 N ATOM 501 CA LEU A 37 1.475 2.478 5.615 1.00 0.00 C ATOM 502 C LEU A 37 1.101 1.004 5.498 1.00 0.00 C ATOM 503 O LEU A 37 0.480 0.438 6.398 1.00 0.00 O ATOM 504 CB LEU A 37 0.537 3.323 4.751 1.00 0.00 C ATOM 505 CG LEU A 37 -0.885 2.787 4.581 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.587 2.701 5.927 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.674 3.664 3.621 1.00 0.00 C ATOM 0 H LEU A 37 2.989 3.420 4.510 1.00 0.00 H new ATOM 0 HA LEU A 37 1.370 2.780 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.478 4.322 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.984 3.430 3.763 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.827 1.783 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.598 2.318 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.033 2.031 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.634 3.693 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.683 3.268 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.723 4.680 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.181 3.674 2.649 1.00 0.00 H new ATOM 519 N ALA A 38 1.485 0.387 4.386 1.00 0.00 N ATOM 520 CA ALA A 38 1.194 -1.023 4.154 1.00 0.00 C ATOM 521 C ALA A 38 1.878 -1.903 5.195 1.00 0.00 C ATOM 522 O ALA A 38 1.302 -2.884 5.665 1.00 0.00 O ATOM 523 CB ALA A 38 1.626 -1.427 2.752 1.00 0.00 C ATOM 0 H ALA A 38 1.999 0.841 3.631 1.00 0.00 H new ATOM 0 HA ALA A 38 0.117 -1.167 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.403 -2.482 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.087 -0.827 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.698 -1.262 2.640 1.00 0.00 H new ATOM 529 N GLN A 39 3.108 -1.546 5.550 1.00 0.00 N ATOM 530 CA GLN A 39 3.869 -2.305 6.534 1.00 0.00 C ATOM 531 C GLN A 39 3.252 -2.170 7.922 1.00 0.00 C ATOM 532 O GLN A 39 3.017 -3.165 8.608 1.00 0.00 O ATOM 533 CB GLN A 39 5.323 -1.831 6.562 1.00 0.00 C ATOM 534 CG GLN A 39 6.226 -2.581 5.596 1.00 0.00 C ATOM 535 CD GLN A 39 7.659 -2.667 6.084 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.590 -2.263 5.386 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.844 -3.196 7.288 1.00 0.00 N ATOM 0 H GLN A 39 3.598 -0.736 5.171 1.00 0.00 H new ATOM 0 HA GLN A 39 3.842 -3.356 6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.354 -0.768 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.714 -1.943 7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.836 -3.588 5.447 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.206 -2.085 4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.044 -3.518 7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.787 -3.280 7.669 1.00 0.00 H new ATOM 546 N VAL A 40 2.990 -0.932 8.330 1.00 0.00 N ATOM 547 CA VAL A 40 2.399 -0.667 9.636 1.00 0.00 C ATOM 548 C VAL A 40 1.190 -1.562 9.885 1.00 0.00 C ATOM 549 O VAL A 40 0.927 -1.967 11.017 1.00 0.00 O ATOM 550 CB VAL A 40 1.968 0.806 9.769 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.071 0.994 10.983 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.188 1.712 9.851 1.00 0.00 C ATOM 0 H VAL A 40 3.178 -0.097 7.775 1.00 0.00 H new ATOM 0 HA VAL A 40 3.167 -0.883 10.379 1.00 0.00 H new ATOM 0 HB VAL A 40 1.398 1.081 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.777 2.041 11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.181 0.374 10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.611 0.702 11.883 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.865 2.749 9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.787 1.438 10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.787 1.598 8.947 1.00 0.00 H new ATOM 562 N VAL A 41 0.458 -1.869 8.818 1.00 0.00 N ATOM 563 CA VAL A 41 -0.722 -2.718 8.920 1.00 0.00 C ATOM 564 C VAL A 41 -0.334 -4.171 9.173 1.00 0.00 C ATOM 565 O VAL A 41 -0.728 -4.762 10.177 1.00 0.00 O ATOM 566 CB VAL A 41 -1.580 -2.642 7.643 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.658 -3.715 7.659 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.194 -1.259 7.496 1.00 0.00 C ATOM 0 H VAL A 41 0.662 -1.542 7.874 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.305 -2.349 9.763 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.936 -2.822 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.254 -3.646 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.192 -4.699 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.302 -3.571 8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.797 -1.223 6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.825 -1.047 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.401 -0.514 7.435 1.00 0.00 H new ATOM 578 N GLU A 42 0.442 -4.738 8.255 1.00 0.00 N ATOM 579 CA GLU A 42 0.884 -6.123 8.379 1.00 0.00 C ATOM 580 C GLU A 42 1.689 -6.324 9.660 1.00 0.00 C ATOM 581 O GLU A 42 1.824 -7.445 10.150 1.00 0.00 O ATOM 582 CB GLU A 42 1.725 -6.524 7.166 1.00 0.00 C ATOM 583 CG GLU A 42 2.229 -7.956 7.221 1.00 0.00 C ATOM 584 CD GLU A 42 3.018 -8.345 5.986 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.006 -7.570 5.006 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.648 -9.423 5.999 1.00 0.00 O ATOM 0 H GLU A 42 0.778 -4.261 7.418 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.001 -6.758 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.130 -6.392 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.578 -5.850 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.857 -8.083 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.381 -8.632 7.333 1.00 0.00 H new ATOM 593 N GLU A 43 2.222 -5.230 10.195 1.00 0.00 N ATOM 594 CA GLU A 43 3.015 -5.287 11.417 1.00 0.00 C ATOM 595 C GLU A 43 2.138 -5.063 12.646 1.00 0.00 C ATOM 596 O GLU A 43 2.384 -5.631 13.710 1.00 0.00 O ATOM 597 CB GLU A 43 4.132 -4.242 11.376 1.00 0.00 C ATOM 598 CG GLU A 43 5.206 -4.538 10.343 1.00 0.00 C ATOM 599 CD GLU A 43 6.154 -5.635 10.785 1.00 0.00 C ATOM 600 OE1 GLU A 43 6.799 -5.470 11.842 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.252 -6.657 10.075 1.00 0.00 O ATOM 0 H GLU A 43 2.119 -4.295 9.802 1.00 0.00 H new ATOM 0 HA GLU A 43 3.459 -6.280 11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.696 -3.265 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.595 -4.179 12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.733 -4.828 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.775 -3.629 10.145 1.00 0.00 H new ATOM 608 N VAL A 44 1.114 -4.230 12.490 1.00 0.00 N ATOM 609 CA VAL A 44 0.200 -3.930 13.586 1.00 0.00 C ATOM 610 C VAL A 44 -1.048 -4.803 13.514 1.00 0.00 C ATOM 611 O VAL A 44 -1.347 -5.554 14.444 1.00 0.00 O ATOM 612 CB VAL A 44 -0.222 -2.449 13.575 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.275 -2.186 14.640 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.988 -1.549 13.777 1.00 0.00 C ATOM 0 H VAL A 44 0.897 -3.751 11.616 1.00 0.00 H new ATOM 0 HA VAL A 44 0.735 -4.141 14.512 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.658 -2.221 12.602 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.561 -1.134 14.617 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.151 -2.805 14.446 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.869 -2.430 15.622 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.671 -0.506 13.766 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.455 -1.777 14.735 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.706 -1.718 12.974 1.00 0.00 H new ATOM 624 N ILE A 45 -1.773 -4.700 12.405 1.00 0.00 N ATOM 625 CA ILE A 45 -2.988 -5.481 12.212 1.00 0.00 C ATOM 626 C ILE A 45 -2.683 -6.975 12.191 1.00 0.00 C ATOM 627 O ILE A 45 -3.186 -7.734 13.019 1.00 0.00 O ATOM 628 CB ILE A 45 -3.703 -5.096 10.904 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.921 -3.582 10.842 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.029 -5.832 10.788 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.974 -3.163 9.841 1.00 0.00 C ATOM 0 H ILE A 45 -1.540 -4.083 11.627 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.644 -5.258 13.054 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.073 -5.388 10.064 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.208 -3.224 11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.978 -3.097 10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.522 -5.549 9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.850 -6.907 10.791 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.667 -5.568 11.632 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.075 -2.078 9.852 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.679 -3.490 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.928 -3.619 10.105 1.00 0.00 H new ATOM 643 N GLY A 46 -1.855 -7.391 11.238 1.00 0.00 N ATOM 644 CA GLY A 46 -1.495 -8.793 11.127 1.00 0.00 C ATOM 645 C GLY A 46 -1.892 -9.389 9.791 1.00 0.00 C ATOM 646 O GLY A 46 -1.969 -10.609 9.646 1.00 0.00 O ATOM 0 H GLY A 46 -1.427 -6.782 10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.419 -8.901 11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.976 -9.353 11.929 1.00 0.00 H new ATOM 650 N VAL A 47 -2.146 -8.527 8.812 1.00 0.00 N ATOM 651 CA VAL A 47 -2.538 -8.976 7.481 1.00 0.00 C ATOM 652 C VAL A 47 -1.476 -8.620 6.447 1.00 0.00 C ATOM 653 O VAL A 47 -0.975 -7.497 6.395 1.00 0.00 O ATOM 654 CB VAL A 47 -3.882 -8.357 7.054 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.163 -8.650 5.588 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.010 -8.873 7.935 1.00 0.00 C ATOM 0 H VAL A 47 -2.087 -7.514 8.915 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.645 -10.060 7.530 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.820 -7.276 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.117 -8.205 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.368 -8.227 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.206 -9.728 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.952 -8.425 7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.075 -9.957 7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.812 -8.607 8.973 1.00 0.00 H new ATOM 666 N PRO A 48 -1.123 -9.600 5.601 1.00 0.00 N ATOM 667 CA PRO A 48 -0.117 -9.415 4.551 1.00 0.00 C ATOM 668 C PRO A 48 -0.605 -8.495 3.437 1.00 0.00 C ATOM 669 O PRO A 48 -1.801 -8.430 3.153 1.00 0.00 O ATOM 670 CB PRO A 48 0.103 -10.832 4.017 1.00 0.00 C ATOM 671 CG PRO A 48 -1.165 -11.553 4.321 1.00 0.00 C ATOM 672 CD PRO A 48 -1.678 -10.964 5.605 1.00 0.00 C ATOM 0 HA PRO A 48 0.789 -8.944 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.307 -10.824 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.955 -11.309 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.889 -11.425 3.516 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.990 -12.624 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.768 -10.954 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.340 -11.533 6.471 1.00 0.00 H new ATOM 680 N GLN A 49 0.328 -7.787 2.809 1.00 0.00 N ATOM 681 CA GLN A 49 -0.008 -6.871 1.725 1.00 0.00 C ATOM 682 C GLN A 49 -0.667 -7.616 0.568 1.00 0.00 C ATOM 683 O GLN A 49 -1.187 -7.000 -0.363 1.00 0.00 O ATOM 684 CB GLN A 49 1.246 -6.147 1.233 1.00 0.00 C ATOM 685 CG GLN A 49 1.963 -5.364 2.322 1.00 0.00 C ATOM 686 CD GLN A 49 3.150 -4.584 1.793 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.209 -4.245 0.611 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.106 -4.295 2.669 1.00 0.00 N ATOM 0 H GLN A 49 1.322 -7.830 3.032 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.715 -6.136 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.935 -6.878 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.970 -5.465 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.261 -4.675 2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.301 -6.052 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.016 -4.596 3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.930 -3.772 2.371 1.00 0.00 H new ATOM 697 N SER A 50 -0.641 -8.943 0.634 1.00 0.00 N ATOM 698 CA SER A 50 -1.232 -9.771 -0.411 1.00 0.00 C ATOM 699 C SER A 50 -2.676 -10.126 -0.070 1.00 0.00 C ATOM 700 O SER A 50 -3.399 -10.692 -0.891 1.00 0.00 O ATOM 701 CB SER A 50 -0.413 -11.049 -0.602 1.00 0.00 C ATOM 702 OG SER A 50 -0.686 -11.646 -1.858 1.00 0.00 O ATOM 0 H SER A 50 -0.217 -9.468 1.399 1.00 0.00 H new ATOM 0 HA SER A 50 -1.225 -9.201 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.650 -10.818 -0.529 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.642 -11.754 0.197 1.00 0.00 H new ATOM 0 HG SER A 50 -1.651 -11.626 -2.027 1.00 0.00 H new ATOM 708 N PHE A 51 -3.091 -9.790 1.147 1.00 0.00 N ATOM 709 CA PHE A 51 -4.448 -10.074 1.598 1.00 0.00 C ATOM 710 C PHE A 51 -5.197 -8.783 1.913 1.00 0.00 C ATOM 711 O PHE A 51 -6.423 -8.727 1.821 1.00 0.00 O ATOM 712 CB PHE A 51 -4.419 -10.975 2.834 1.00 0.00 C ATOM 713 CG PHE A 51 -4.039 -12.396 2.532 1.00 0.00 C ATOM 714 CD1 PHE A 51 -2.894 -12.681 1.804 1.00 0.00 C ATOM 715 CD2 PHE A 51 -4.825 -13.447 2.975 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.541 -13.987 1.525 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.477 -14.755 2.699 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.334 -15.026 1.972 1.00 0.00 C ATOM 0 H PHE A 51 -2.507 -9.321 1.839 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.972 -10.590 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.713 -10.564 3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.402 -10.963 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.271 -11.873 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.720 -13.241 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.646 -14.196 0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.098 -15.565 3.051 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.061 -16.048 1.754 1.00 0.00 H new ATOM 728 N GLN A 52 -4.451 -7.748 2.286 1.00 0.00 N ATOM 729 CA GLN A 52 -5.044 -6.458 2.616 1.00 0.00 C ATOM 730 C GLN A 52 -5.178 -5.586 1.371 1.00 0.00 C ATOM 731 O GLN A 52 -4.356 -5.660 0.457 1.00 0.00 O ATOM 732 CB GLN A 52 -4.200 -5.739 3.669 1.00 0.00 C ATOM 733 CG GLN A 52 -2.778 -5.449 3.215 1.00 0.00 C ATOM 734 CD GLN A 52 -2.205 -4.199 3.852 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.710 -3.095 3.644 1.00 0.00 O ATOM 736 NE2 GLN A 52 -1.145 -4.365 4.634 1.00 0.00 N ATOM 0 H GLN A 52 -3.435 -7.778 2.367 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.040 -6.637 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.687 -4.800 3.934 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.167 -6.347 4.573 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.142 -6.300 3.459 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.762 -5.339 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.759 -5.298 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.717 -3.560 5.090 1.00 0.00 H new ATOM 745 N LYS A 53 -6.217 -4.759 1.343 1.00 0.00 N ATOM 746 CA LYS A 53 -6.459 -3.871 0.212 1.00 0.00 C ATOM 747 C LYS A 53 -6.747 -2.451 0.687 1.00 0.00 C ATOM 748 O LYS A 53 -7.769 -2.194 1.325 1.00 0.00 O ATOM 749 CB LYS A 53 -7.630 -4.387 -0.627 1.00 0.00 C ATOM 750 CG LYS A 53 -8.283 -3.316 -1.484 1.00 0.00 C ATOM 751 CD LYS A 53 -9.551 -3.828 -2.146 1.00 0.00 C ATOM 752 CE LYS A 53 -10.104 -2.822 -3.144 1.00 0.00 C ATOM 753 NZ LYS A 53 -9.267 -2.743 -4.373 1.00 0.00 N ATOM 0 H LYS A 53 -6.906 -4.685 2.092 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.559 -3.854 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.277 -5.192 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.380 -4.817 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.518 -2.449 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.581 -2.983 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.343 -4.769 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.302 -4.037 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.122 -3.102 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.157 -1.839 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.713 -2.098 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.321 -2.387 -4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.181 -3.689 -4.796 1.00 0.00 H new ATOM 767 N LEU A 54 -5.842 -1.531 0.371 1.00 0.00 N ATOM 768 CA LEU A 54 -5.999 -0.135 0.765 1.00 0.00 C ATOM 769 C LEU A 54 -6.988 0.580 -0.151 1.00 0.00 C ATOM 770 O LEU A 54 -7.004 0.353 -1.361 1.00 0.00 O ATOM 771 CB LEU A 54 -4.648 0.580 0.733 1.00 0.00 C ATOM 772 CG LEU A 54 -3.857 0.580 2.042 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.723 1.082 3.188 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.325 -0.813 2.344 1.00 0.00 C ATOM 0 H LEU A 54 -4.992 -1.727 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.391 -0.112 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.033 0.118 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.814 1.614 0.432 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.008 1.255 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.144 1.075 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.055 2.098 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.591 0.433 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.765 -0.794 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.159 -1.509 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.670 -1.135 1.535 1.00 0.00 H new ATOM 786 N ILE A 55 -7.808 1.446 0.435 1.00 0.00 N ATOM 787 CA ILE A 55 -8.797 2.197 -0.329 1.00 0.00 C ATOM 788 C ILE A 55 -9.056 3.562 0.300 1.00 0.00 C ATOM 789 O ILE A 55 -9.408 3.659 1.475 1.00 0.00 O ATOM 790 CB ILE A 55 -10.129 1.431 -0.432 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.869 -0.052 -0.705 1.00 0.00 C ATOM 792 CG2 ILE A 55 -11.001 2.031 -1.525 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.124 -0.897 -0.696 1.00 0.00 C ATOM 0 H ILE A 55 -7.807 1.645 1.435 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.387 2.332 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.657 1.520 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.379 -0.154 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.177 -0.435 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.939 1.479 -1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.209 3.075 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.481 1.969 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.864 -1.936 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.604 -0.825 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.809 -0.539 -1.465 1.00 0.00 H new ATOM 805 N PHE A 56 -8.881 4.615 -0.493 1.00 0.00 N ATOM 806 CA PHE A 56 -9.097 5.975 -0.014 1.00 0.00 C ATOM 807 C PHE A 56 -9.880 6.793 -1.037 1.00 0.00 C ATOM 808 O PHE A 56 -9.474 6.917 -2.193 1.00 0.00 O ATOM 809 CB PHE A 56 -7.757 6.654 0.280 1.00 0.00 C ATOM 810 CG PHE A 56 -7.892 7.942 1.041 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.157 9.129 0.377 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.752 7.965 2.419 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.282 10.316 1.075 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.876 9.149 3.121 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.140 10.326 2.448 1.00 0.00 C ATOM 0 H PHE A 56 -8.591 4.552 -1.469 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.679 5.922 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.129 5.969 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.244 6.850 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.267 9.127 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.544 7.048 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.491 11.234 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.767 9.154 4.195 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.235 11.252 2.995 1.00 0.00 H new ATOM 825 N LYS A 57 -11.006 7.350 -0.603 1.00 0.00 N ATOM 826 CA LYS A 57 -11.847 8.158 -1.478 1.00 0.00 C ATOM 827 C LYS A 57 -12.373 7.328 -2.645 1.00 0.00 C ATOM 828 O LYS A 57 -12.572 7.841 -3.745 1.00 0.00 O ATOM 829 CB LYS A 57 -11.063 9.361 -2.007 1.00 0.00 C ATOM 830 CG LYS A 57 -10.630 10.330 -0.921 1.00 0.00 C ATOM 831 CD LYS A 57 -11.698 11.377 -0.651 1.00 0.00 C ATOM 832 CE LYS A 57 -11.532 12.588 -1.555 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.219 12.402 -2.864 1.00 0.00 N ATOM 0 H LYS A 57 -11.357 7.256 0.350 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.697 8.514 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.180 9.004 -2.537 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.677 9.893 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.418 9.780 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.704 10.822 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.685 10.940 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.647 11.690 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.933 13.471 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.471 12.772 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.456 13.331 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.590 11.891 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.091 11.853 -2.723 1.00 0.00 H new ATOM 847 N GLY A 58 -12.598 6.041 -2.396 1.00 0.00 N ATOM 848 CA GLY A 58 -13.100 5.161 -3.435 1.00 0.00 C ATOM 849 C GLY A 58 -12.016 4.727 -4.401 1.00 0.00 C ATOM 850 O GLY A 58 -12.305 4.201 -5.476 1.00 0.00 O ATOM 0 H GLY A 58 -12.441 5.593 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.547 4.279 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.891 5.669 -3.986 1.00 0.00 H new ATOM 854 N LYS A 59 -10.763 4.949 -4.020 1.00 0.00 N ATOM 855 CA LYS A 59 -9.630 4.578 -4.860 1.00 0.00 C ATOM 856 C LYS A 59 -8.746 3.551 -4.159 1.00 0.00 C ATOM 857 O LYS A 59 -8.236 3.799 -3.067 1.00 0.00 O ATOM 858 CB LYS A 59 -8.805 5.817 -5.216 1.00 0.00 C ATOM 859 CG LYS A 59 -7.328 5.527 -5.419 1.00 0.00 C ATOM 860 CD LYS A 59 -6.602 6.721 -6.016 1.00 0.00 C ATOM 861 CE LYS A 59 -6.750 6.764 -7.529 1.00 0.00 C ATOM 862 NZ LYS A 59 -6.566 8.141 -8.066 1.00 0.00 N ATOM 0 H LYS A 59 -10.506 5.384 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.019 4.132 -5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.208 6.262 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.916 6.557 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.873 5.264 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.213 4.664 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.997 7.641 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.545 6.674 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.019 6.096 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.737 6.394 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.675 8.128 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.280 8.774 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.615 8.485 -7.822 1.00 0.00 H new ATOM 876 N SER A 60 -8.569 2.397 -4.796 1.00 0.00 N ATOM 877 CA SER A 60 -7.749 1.331 -4.232 1.00 0.00 C ATOM 878 C SER A 60 -6.266 1.674 -4.337 1.00 0.00 C ATOM 879 O SER A 60 -5.664 1.561 -5.406 1.00 0.00 O ATOM 880 CB SER A 60 -8.030 0.009 -4.949 1.00 0.00 C ATOM 881 OG SER A 60 -8.127 0.199 -6.350 1.00 0.00 O ATOM 0 H SER A 60 -8.982 2.177 -5.702 1.00 0.00 H new ATOM 0 HA SER A 60 -8.007 1.226 -3.178 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.235 -0.703 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.957 -0.423 -4.572 1.00 0.00 H new ATOM 0 HG SER A 60 -7.356 0.717 -6.664 1.00 0.00 H new ATOM 887 N LEU A 61 -5.682 2.094 -3.220 1.00 0.00 N ATOM 888 CA LEU A 61 -4.269 2.454 -3.184 1.00 0.00 C ATOM 889 C LEU A 61 -3.391 1.245 -3.489 1.00 0.00 C ATOM 890 O LEU A 61 -3.284 0.322 -2.681 1.00 0.00 O ATOM 891 CB LEU A 61 -3.904 3.032 -1.816 1.00 0.00 C ATOM 892 CG LEU A 61 -4.948 3.945 -1.173 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.396 4.577 0.096 1.00 0.00 C ATOM 894 CD2 LEU A 61 -5.394 5.019 -2.155 1.00 0.00 C ATOM 0 H LEU A 61 -6.165 2.194 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.093 3.210 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.706 2.204 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.974 3.591 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.815 3.341 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.153 5.223 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.127 3.794 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.512 5.167 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.137 5.660 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.534 5.619 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.830 4.548 -3.036 1.00 0.00 H new ATOM 906 N LYS A 62 -2.762 1.256 -4.659 1.00 0.00 N ATOM 907 CA LYS A 62 -1.889 0.163 -5.071 1.00 0.00 C ATOM 908 C LYS A 62 -0.486 0.674 -5.382 1.00 0.00 C ATOM 909 O LYS A 62 0.262 0.043 -6.128 1.00 0.00 O ATOM 910 CB LYS A 62 -2.470 -0.546 -6.297 1.00 0.00 C ATOM 911 CG LYS A 62 -3.051 0.404 -7.330 1.00 0.00 C ATOM 912 CD LYS A 62 -3.903 -0.335 -8.349 1.00 0.00 C ATOM 913 CE LYS A 62 -5.007 0.554 -8.901 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.563 1.307 -10.106 1.00 0.00 N ATOM 0 H LYS A 62 -2.841 2.011 -5.340 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.822 -0.547 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.688 -1.144 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.248 -1.236 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.655 1.162 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.242 0.927 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.273 -0.685 -9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.343 -1.218 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.873 -0.057 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.326 1.256 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.344 1.901 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.752 1.910 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.282 0.637 -10.850 1.00 0.00 H new ATOM 928 N GLU A 63 -0.136 1.819 -4.804 1.00 0.00 N ATOM 929 CA GLU A 63 1.178 2.412 -5.021 1.00 0.00 C ATOM 930 C GLU A 63 1.890 2.655 -3.693 1.00 0.00 C ATOM 931 O GLU A 63 1.399 3.391 -2.838 1.00 0.00 O ATOM 932 CB GLU A 63 1.047 3.729 -5.790 1.00 0.00 C ATOM 933 CG GLU A 63 -0.213 4.508 -5.453 1.00 0.00 C ATOM 934 CD GLU A 63 -0.574 5.523 -6.519 1.00 0.00 C ATOM 935 OE1 GLU A 63 0.126 6.552 -6.620 1.00 0.00 O ATOM 936 OE2 GLU A 63 -1.557 5.288 -7.253 1.00 0.00 O ATOM 0 H GLU A 63 -0.743 2.354 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 63 1.772 1.713 -5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.916 4.352 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.059 3.518 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.042 3.812 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.075 5.020 -4.501 1.00 0.00 H new ATOM 943 N MET A 64 3.052 2.029 -3.529 1.00 0.00 N ATOM 944 CA MET A 64 3.833 2.177 -2.307 1.00 0.00 C ATOM 945 C MET A 64 4.830 3.324 -2.434 1.00 0.00 C ATOM 946 O MET A 64 4.986 4.127 -1.515 1.00 0.00 O ATOM 947 CB MET A 64 4.571 0.876 -1.987 1.00 0.00 C ATOM 948 CG MET A 64 3.692 -0.361 -2.081 1.00 0.00 C ATOM 949 SD MET A 64 2.482 -0.455 -0.748 1.00 0.00 S ATOM 950 CE MET A 64 0.953 -0.301 -1.668 1.00 0.00 C ATOM 0 H MET A 64 3.472 1.415 -4.227 1.00 0.00 H new ATOM 0 HA MET A 64 3.146 2.406 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.412 0.767 -2.672 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.986 0.941 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.172 -0.361 -3.039 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.321 -1.251 -2.060 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.205 0.195 -1.050 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.128 0.288 -2.568 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.595 -1.292 -1.946 1.00 0.00 H new ATOM 960 N GLU A 65 5.503 3.392 -3.579 1.00 0.00 N ATOM 961 CA GLU A 65 6.486 4.441 -3.825 1.00 0.00 C ATOM 962 C GLU A 65 5.828 5.817 -3.813 1.00 0.00 C ATOM 963 O GLU A 65 6.507 6.843 -3.757 1.00 0.00 O ATOM 964 CB GLU A 65 7.187 4.210 -5.165 1.00 0.00 C ATOM 965 CG GLU A 65 6.319 4.532 -6.369 1.00 0.00 C ATOM 966 CD GLU A 65 5.519 3.336 -6.849 1.00 0.00 C ATOM 967 OE1 GLU A 65 4.394 3.134 -6.344 1.00 0.00 O ATOM 968 OE2 GLU A 65 6.017 2.602 -7.727 1.00 0.00 O ATOM 0 H GLU A 65 5.386 2.734 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 65 7.226 4.405 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.089 4.821 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.505 3.169 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.636 5.342 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.950 4.892 -7.181 1.00 0.00 H new ATOM 975 N THR A 66 4.500 5.833 -3.867 1.00 0.00 N ATOM 976 CA THR A 66 3.749 7.082 -3.865 1.00 0.00 C ATOM 977 C THR A 66 3.576 7.616 -2.448 1.00 0.00 C ATOM 978 O THR A 66 3.281 6.875 -1.511 1.00 0.00 O ATOM 979 CB THR A 66 2.360 6.903 -4.508 1.00 0.00 C ATOM 980 OG1 THR A 66 2.501 6.498 -5.874 1.00 0.00 O ATOM 981 CG2 THR A 66 1.561 8.196 -4.436 1.00 0.00 C ATOM 0 H THR A 66 3.922 4.994 -3.913 1.00 0.00 H new ATOM 0 HA THR A 66 4.323 7.798 -4.453 1.00 0.00 H new ATOM 0 HB THR A 66 1.824 6.132 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.738 6.827 -6.393 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.584 8.046 -4.896 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.431 8.486 -3.393 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.095 8.984 -4.967 1.00 0.00 H new ATOM 989 N PRO A 67 3.761 8.935 -2.286 1.00 0.00 N ATOM 990 CA PRO A 67 3.629 9.599 -0.985 1.00 0.00 C ATOM 991 C PRO A 67 2.184 9.643 -0.501 1.00 0.00 C ATOM 992 O PRO A 67 1.277 10.002 -1.254 1.00 0.00 O ATOM 993 CB PRO A 67 4.146 11.014 -1.255 1.00 0.00 C ATOM 994 CG PRO A 67 3.929 11.225 -2.714 1.00 0.00 C ATOM 995 CD PRO A 67 4.114 9.879 -3.359 1.00 0.00 C ATOM 0 HA PRO A 67 4.175 9.073 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.605 11.753 -0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.200 11.107 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.930 11.616 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.638 11.950 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.468 9.758 -4.229 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.139 9.734 -3.700 1.00 0.00 H new ATOM 1003 N LEU A 68 1.975 9.277 0.759 1.00 0.00 N ATOM 1004 CA LEU A 68 0.639 9.276 1.344 1.00 0.00 C ATOM 1005 C LEU A 68 -0.019 10.645 1.202 1.00 0.00 C ATOM 1006 O LEU A 68 -1.244 10.760 1.211 1.00 0.00 O ATOM 1007 CB LEU A 68 0.708 8.881 2.820 1.00 0.00 C ATOM 1008 CG LEU A 68 1.325 7.515 3.121 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.996 7.522 4.486 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.267 6.424 3.050 1.00 0.00 C ATOM 0 H LEU A 68 2.714 8.977 1.395 1.00 0.00 H new ATOM 0 HA LEU A 68 0.034 8.546 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.280 9.641 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.303 8.899 3.228 1.00 0.00 H new ATOM 0 HG LEU A 68 2.084 7.306 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.430 6.542 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.783 8.276 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.257 7.753 5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.725 5.459 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.515 6.627 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.168 6.403 2.051 1.00 0.00 H new ATOM 1022 N SER A 69 0.804 11.680 1.069 1.00 0.00 N ATOM 1023 CA SER A 69 0.302 13.042 0.926 1.00 0.00 C ATOM 1024 C SER A 69 -0.334 13.246 -0.446 1.00 0.00 C ATOM 1025 O SER A 69 -1.320 13.969 -0.583 1.00 0.00 O ATOM 1026 CB SER A 69 1.435 14.049 1.130 1.00 0.00 C ATOM 1027 OG SER A 69 0.974 15.378 0.957 1.00 0.00 O ATOM 0 H SER A 69 1.821 11.602 1.057 1.00 0.00 H new ATOM 0 HA SER A 69 -0.460 13.204 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.853 13.933 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.239 13.845 0.423 1.00 0.00 H new ATOM 0 HG SER A 69 1.717 16.002 1.094 1.00 0.00 H new ATOM 1033 N ALA A 70 0.238 12.602 -1.458 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.273 12.710 -2.819 1.00 0.00 C ATOM 1035 C ALA A 70 -1.675 12.121 -2.926 1.00 0.00 C ATOM 1036 O ALA A 70 -2.571 12.728 -3.516 1.00 0.00 O ATOM 1037 CB ALA A 70 0.669 12.018 -3.793 1.00 0.00 C ATOM 0 H ALA A 70 1.056 12.000 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.331 13.767 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.275 12.107 -4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.652 12.487 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.756 10.964 -3.528 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.860 10.937 -2.355 1.00 0.00 N ATOM 1044 CA LEU A 71 -3.154 10.265 -2.387 1.00 0.00 C ATOM 1045 C LEU A 71 -4.202 11.063 -1.619 1.00 0.00 C ATOM 1046 O LEU A 71 -5.402 10.903 -1.836 1.00 0.00 O ATOM 1047 CB LEU A 71 -3.036 8.858 -1.798 1.00 0.00 C ATOM 1048 CG LEU A 71 -2.053 7.918 -2.497 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.644 6.785 -1.568 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.661 7.367 -3.778 1.00 0.00 C ATOM 0 H LEU A 71 -1.130 10.422 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.471 10.191 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.741 8.947 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.023 8.396 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.160 8.486 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.944 6.127 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.167 7.198 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.527 6.218 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.947 6.700 -4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.570 6.815 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.901 8.191 -4.450 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.739 11.927 -0.720 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.649 12.740 0.066 1.00 0.00 C ATOM 1064 C GLY A 72 -4.618 12.385 1.539 1.00 0.00 C ATOM 1065 O GLY A 72 -5.268 13.039 2.355 1.00 0.00 O ATOM 0 H GLY A 72 -2.750 12.078 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.390 13.792 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.663 12.615 -0.313 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.862 11.347 1.881 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.750 10.908 3.266 1.00 0.00 C ATOM 1071 C ILE A 73 -2.808 11.811 4.055 1.00 0.00 C ATOM 1072 O ILE A 73 -1.785 12.260 3.537 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.246 9.455 3.356 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.229 8.507 2.666 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.046 9.053 4.810 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.573 7.275 2.085 1.00 0.00 C ATOM 0 H ILE A 73 -3.318 10.795 1.218 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.749 10.965 3.697 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.286 9.387 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.989 8.200 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.742 9.046 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.690 8.024 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.312 9.713 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.993 9.134 5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.329 6.649 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.832 7.573 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.084 6.714 2.881 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.159 12.070 5.310 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.344 12.919 6.171 1.00 0.00 C ATOM 1090 C GLN A 74 -2.733 12.744 7.635 1.00 0.00 C ATOM 1091 O GLN A 74 -3.864 12.368 7.946 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.491 14.386 5.764 1.00 0.00 C ATOM 1093 CG GLN A 74 -3.916 14.906 5.867 1.00 0.00 C ATOM 1094 CD GLN A 74 -4.035 16.365 5.472 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -4.338 17.222 6.303 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -3.798 16.655 4.199 1.00 0.00 N ATOM 0 H GLN A 74 -4.002 11.704 5.753 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.303 12.619 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.844 14.996 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.142 14.507 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.564 14.307 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.272 14.780 6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.550 15.913 3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.864 17.620 3.875 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.790 13.017 8.529 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.035 12.890 9.961 1.00 0.00 C ATOM 1107 C ASP A 75 -3.435 13.377 10.319 1.00 0.00 C ATOM 1108 O ASP A 75 -3.730 14.568 10.234 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.990 13.680 10.751 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.077 15.172 10.495 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -1.656 15.564 9.460 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -0.566 15.947 11.330 1.00 0.00 O ATOM 0 H ASP A 75 -0.849 13.328 8.288 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.958 11.835 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.123 13.489 11.816 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.006 13.326 10.485 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.297 12.446 10.718 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.656 12.800 11.081 1.00 0.00 C ATOM 1119 C GLY A 76 -6.659 12.423 10.009 1.00 0.00 C ATOM 1120 O GLY A 76 -7.555 13.204 9.684 1.00 0.00 O ATOM 0 H GLY A 76 -4.078 11.453 10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.921 12.302 12.014 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.712 13.873 11.265 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.509 11.224 9.456 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.408 10.746 8.411 1.00 0.00 C ATOM 1126 C CYS A 77 -7.840 9.308 8.682 1.00 0.00 C ATOM 1127 O CYS A 77 -7.339 8.662 9.602 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.730 10.839 7.044 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.563 12.527 6.416 1.00 0.00 S ATOM 0 H CYS A 77 -5.774 10.566 9.714 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.295 11.379 8.411 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.740 10.388 7.110 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.301 10.251 6.326 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.463 13.052 6.869 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.774 8.815 7.875 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.275 7.455 8.029 1.00 0.00 C ATOM 1137 C ARG A 78 -9.205 6.696 6.707 1.00 0.00 C ATOM 1138 O ARG A 78 -9.872 7.056 5.737 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.716 7.474 8.542 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.823 7.460 10.058 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.159 8.015 10.528 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.069 8.602 11.862 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.064 9.265 12.442 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.217 9.423 11.808 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -12.905 9.770 13.659 1.00 0.00 N ATOM 0 H ARG A 78 -9.199 9.337 7.108 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.644 6.943 8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.217 8.363 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.247 6.611 8.141 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.703 6.440 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.012 8.049 10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.506 8.770 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.902 7.217 10.532 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.195 8.497 12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.342 9.035 10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.979 9.932 12.255 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.019 9.649 14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.669 10.279 14.104 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.392 5.645 6.676 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.235 4.835 5.474 1.00 0.00 C ATOM 1161 C VAL A 79 -9.011 3.528 5.586 1.00 0.00 C ATOM 1162 O VAL A 79 -9.081 2.926 6.657 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.753 4.517 5.201 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.602 3.750 3.896 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -5.930 5.797 5.174 1.00 0.00 C ATOM 0 H VAL A 79 -7.832 5.335 7.470 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.633 5.420 4.645 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.380 3.888 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.548 3.535 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.158 2.815 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.991 4.350 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.885 5.554 4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.302 6.452 4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.012 6.303 6.136 1.00 0.00 H new ATOM 1175 N MET A 80 -9.594 3.095 4.472 1.00 0.00 N ATOM 1176 CA MET A 80 -10.365 1.857 4.446 1.00 0.00 C ATOM 1177 C MET A 80 -9.509 0.695 3.952 1.00 0.00 C ATOM 1178 O MET A 80 -8.870 0.783 2.903 1.00 0.00 O ATOM 1179 CB MET A 80 -11.595 2.017 3.550 1.00 0.00 C ATOM 1180 CG MET A 80 -12.254 0.697 3.183 1.00 0.00 C ATOM 1181 SD MET A 80 -13.778 0.920 2.244 1.00 0.00 S ATOM 1182 CE MET A 80 -14.715 -0.511 2.777 1.00 0.00 C ATOM 0 H MET A 80 -9.547 3.582 3.577 1.00 0.00 H new ATOM 0 HA MET A 80 -10.691 1.639 5.463 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.324 2.649 4.057 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.304 2.535 2.636 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.556 0.097 2.599 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.471 0.138 4.093 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.664 -0.544 2.242 1.00 0.00 H new ATOM 0 HE2 MET A 80 -14.147 -1.417 2.565 1.00 0.00 H new ATOM 0 HE3 MET A 80 -14.904 -0.444 3.848 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.501 -0.393 4.714 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.724 -1.574 4.354 1.00 0.00 C ATOM 1194 C LEU A 81 -9.627 -2.792 4.191 1.00 0.00 C ATOM 1195 O LEU A 81 -10.422 -3.110 5.076 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.660 -1.852 5.417 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.673 -2.976 5.101 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.798 -2.601 3.915 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.816 -3.292 6.319 1.00 0.00 C ATOM 0 H LEU A 81 -10.024 -0.482 5.585 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.234 -1.379 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.094 -0.935 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.164 -2.091 6.353 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.241 -3.869 4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.102 -3.413 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.425 -2.426 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.239 -1.695 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.119 -4.094 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.257 -2.403 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.457 -3.605 7.143 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.497 -3.471 3.057 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.299 -4.656 2.780 1.00 0.00 C ATOM 1213 C ILE A 82 -9.428 -5.906 2.709 1.00 0.00 C ATOM 1214 O ILE A 82 -8.514 -5.991 1.890 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.080 -4.513 1.461 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.092 -3.369 1.563 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.782 -5.818 1.115 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -13.042 -3.295 0.389 1.00 0.00 C ATOM 0 H ILE A 82 -8.844 -3.221 2.315 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.007 -4.756 3.603 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.375 -4.280 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.669 -3.486 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.554 -2.425 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.329 -5.700 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.042 -6.611 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.478 -6.079 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.730 -2.461 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.474 -3.146 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.608 -4.224 0.319 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.719 -6.875 3.571 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.955 -8.108 3.588 1.00 0.00 C ATOM 1232 C GLY A 83 -9.454 -9.085 4.634 1.00 0.00 C ATOM 1233 O GLY A 83 -10.510 -8.881 5.232 1.00 0.00 O ATOM 0 H GLY A 83 -10.471 -6.828 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.005 -8.576 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.907 -7.880 3.780 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.694 -10.152 4.854 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.064 -11.167 5.834 1.00 0.00 C ATOM 1239 C LYS A 84 -8.037 -11.236 6.960 1.00 0.00 C ATOM 1240 O LYS A 84 -6.851 -11.465 6.720 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.190 -12.535 5.160 1.00 0.00 C ATOM 1242 CG LYS A 84 -10.099 -13.498 5.903 1.00 0.00 C ATOM 1243 CD LYS A 84 -9.337 -14.284 6.956 1.00 0.00 C ATOM 1244 CE LYS A 84 -8.503 -15.391 6.330 1.00 0.00 C ATOM 1245 NZ LYS A 84 -9.350 -16.512 5.835 1.00 0.00 N ATOM 0 H LYS A 84 -7.817 -10.337 4.367 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.028 -10.889 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.570 -12.398 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.199 -12.980 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.909 -12.943 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.557 -14.187 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.688 -13.610 7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.040 -14.715 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.921 -14.984 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.792 -15.770 7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.749 -17.333 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.043 -16.772 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.851 -16.215 4.973 1.00 0.00 H new