USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 22 THR OG1 : rot -77:sc= 0.551 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.346 K(o=0.9,f=-0.97) USER MOD Set 2.1: A 7 THR OG1 : rot -50:sc= 1.93 USER MOD Set 2.2: A 9 THR OG1 : rot -90:sc= 1.05 USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= -0.0398 (180deg=-0.291) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc=-0.00722 (180deg=-0.226) USER MOD Single : A 12 THR OG1 : rot 150:sc= -0.15 USER MOD Single : A 14 THR OG1 : rot -82:sc= 1.88 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00395 USER MOD Single : A 27 LYS NZ :NH3+ -96:sc= 1.27 (180deg=-1.88!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc=-0.00594 X(o=-0.0059,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.395! C(o=-0.4!,f=-6.6!) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= -0.205 (180deg=-1.35!) USER MOD Single : A 49 GLN : amide:sc= -0.0862 K(o=-0.086,f=-3.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.55) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.359 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.194 -12.580 2.561 1.00 0.00 N ATOM 38 CA ILE A 3 74.248 -12.385 1.467 1.00 0.00 C ATOM 39 C ILE A 3 74.861 -11.444 0.435 1.00 0.00 C ATOM 40 O ILE A 3 75.938 -10.894 0.663 1.00 0.00 O ATOM 41 CB ILE A 3 72.958 -11.759 2.002 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.302 -10.581 2.913 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.166 -12.797 2.796 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.074 -9.682 3.061 1.00 0.00 C ATOM 0 HA ILE A 3 74.024 -13.349 1.010 1.00 0.00 H new ATOM 0 HB ILE A 3 72.356 -11.411 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.622 -10.943 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.134 -10.014 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.249 -12.344 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 3 71.916 -13.637 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.767 -13.151 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.315 -8.840 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.775 -9.310 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.255 -10.254 3.497 1.00 0.00 H new ATOM 56 N PHE A 4 74.191 -11.279 -0.703 1.00 0.00 N ATOM 57 CA PHE A 4 74.709 -10.418 -1.765 1.00 0.00 C ATOM 58 C PHE A 4 73.765 -9.254 -2.057 1.00 0.00 C ATOM 59 O PHE A 4 72.553 -9.431 -2.148 1.00 0.00 O ATOM 60 CB PHE A 4 74.905 -11.244 -3.037 1.00 0.00 C ATOM 61 CG PHE A 4 75.930 -12.324 -2.782 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.281 -11.990 -2.634 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.524 -13.660 -2.687 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.227 -12.994 -2.389 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.469 -14.664 -2.444 1.00 0.00 C ATOM 66 CZ PHE A 4 77.822 -14.330 -2.295 1.00 0.00 C ATOM 0 H PHE A 4 73.298 -11.724 -0.913 1.00 0.00 H new ATOM 0 HA PHE A 4 75.661 -10.005 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 4 73.959 -11.690 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.233 -10.601 -3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.594 -10.959 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.481 -13.917 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.269 -12.737 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.156 -15.695 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.552 -15.104 -2.108 1.00 0.00 H new ATOM 76 N VAL A 5 74.340 -8.065 -2.215 1.00 0.00 N ATOM 77 CA VAL A 5 73.557 -6.870 -2.518 1.00 0.00 C ATOM 78 C VAL A 5 74.082 -6.215 -3.791 1.00 0.00 C ATOM 79 O VAL A 5 75.215 -5.742 -3.828 1.00 0.00 O ATOM 80 CB VAL A 5 73.639 -5.876 -1.355 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.819 -4.628 -1.692 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.079 -6.526 -0.089 1.00 0.00 C ATOM 0 H VAL A 5 75.344 -7.903 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 5 72.517 -7.160 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 5 74.679 -5.595 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.877 -3.920 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.216 -4.164 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.779 -4.910 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.137 -5.819 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.039 -6.807 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.661 -7.415 0.152 1.00 0.00 H new ATOM 92 N LYS A 6 73.261 -6.206 -4.836 1.00 0.00 N ATOM 93 CA LYS A 6 73.671 -5.618 -6.109 1.00 0.00 C ATOM 94 C LYS A 6 73.055 -4.237 -6.303 1.00 0.00 C ATOM 95 O LYS A 6 71.858 -4.044 -6.089 1.00 0.00 O ATOM 96 CB LYS A 6 73.254 -6.533 -7.261 1.00 0.00 C ATOM 97 CG LYS A 6 74.397 -7.499 -7.583 1.00 0.00 C ATOM 98 CD LYS A 6 73.828 -8.750 -8.248 1.00 0.00 C ATOM 99 CE LYS A 6 74.849 -9.314 -9.238 1.00 0.00 C ATOM 100 NZ LYS A 6 74.910 -8.437 -10.442 1.00 0.00 N ATOM 0 H LYS A 6 72.318 -6.594 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 6 74.756 -5.510 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.357 -7.091 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.007 -5.939 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 6 75.119 -7.019 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.929 -7.768 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 6 73.587 -9.498 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.899 -8.509 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 6 75.831 -9.375 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 6 74.570 -10.327 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 75.242 -8.990 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 73.963 -8.057 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.568 -7.651 -10.266 1.00 0.00 H new ATOM 114 N THR A 7 73.884 -3.282 -6.719 1.00 0.00 N ATOM 115 CA THR A 7 73.420 -1.917 -6.949 1.00 0.00 C ATOM 116 C THR A 7 73.355 -1.623 -8.445 1.00 0.00 C ATOM 117 O THR A 7 73.695 -2.473 -9.268 1.00 0.00 O ATOM 118 CB THR A 7 74.366 -0.921 -6.274 1.00 0.00 C ATOM 119 OG1 THR A 7 75.354 -0.504 -7.207 1.00 0.00 O ATOM 120 CG2 THR A 7 75.045 -1.586 -5.075 1.00 0.00 C ATOM 0 H THR A 7 74.877 -3.428 -6.903 1.00 0.00 H new ATOM 0 HA THR A 7 72.422 -1.815 -6.523 1.00 0.00 H new ATOM 0 HB THR A 7 73.797 -0.056 -5.932 1.00 0.00 H new ATOM 0 HG1 THR A 7 75.755 -1.291 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.718 -0.874 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.288 -1.906 -4.360 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.614 -2.452 -5.413 1.00 0.00 H new ATOM 128 N LEU A 8 72.921 -0.415 -8.790 1.00 0.00 N ATOM 129 CA LEU A 8 72.822 -0.024 -10.192 1.00 0.00 C ATOM 130 C LEU A 8 74.211 0.145 -10.799 1.00 0.00 C ATOM 131 O LEU A 8 74.352 0.352 -12.004 1.00 0.00 O ATOM 132 CB LEU A 8 72.048 1.292 -10.315 1.00 0.00 C ATOM 133 CG LEU A 8 70.672 1.139 -9.666 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.470 2.248 -8.632 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.587 1.242 -10.740 1.00 0.00 C ATOM 0 H LEU A 8 72.635 0.304 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 8 72.293 -0.809 -10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.601 2.098 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.938 1.565 -11.365 1.00 0.00 H new ATOM 0 HG LEU A 8 70.608 0.168 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.489 2.140 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.243 2.177 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.534 3.219 -9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.606 1.133 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.651 2.213 -11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.730 0.453 -11.478 1.00 0.00 H new ATOM 147 N THR A 9 75.234 0.053 -9.955 1.00 0.00 N ATOM 148 CA THR A 9 76.609 0.196 -10.418 1.00 0.00 C ATOM 149 C THR A 9 77.192 -1.162 -10.795 1.00 0.00 C ATOM 150 O THR A 9 78.338 -1.256 -11.235 1.00 0.00 O ATOM 151 CB THR A 9 77.466 0.835 -9.324 1.00 0.00 C ATOM 152 OG1 THR A 9 77.706 -0.117 -8.297 1.00 0.00 O ATOM 153 CG2 THR A 9 76.734 2.046 -8.741 1.00 0.00 C ATOM 0 H THR A 9 75.138 -0.119 -8.954 1.00 0.00 H new ATOM 0 HA THR A 9 76.610 0.837 -11.300 1.00 0.00 H new ATOM 0 HB THR A 9 78.416 1.159 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.993 -0.062 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.346 2.500 -7.962 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.551 2.775 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.783 1.726 -8.315 1.00 0.00 H new ATOM 161 N GLY A 10 76.394 -2.212 -10.621 1.00 0.00 N ATOM 162 CA GLY A 10 76.843 -3.561 -10.946 1.00 0.00 C ATOM 163 C GLY A 10 77.757 -4.108 -9.855 1.00 0.00 C ATOM 164 O GLY A 10 78.281 -5.217 -9.969 1.00 0.00 O ATOM 0 H GLY A 10 75.442 -2.156 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.981 -4.217 -11.066 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.372 -3.553 -11.899 1.00 0.00 H new ATOM 168 N LYS A 11 77.942 -3.325 -8.798 1.00 0.00 N ATOM 169 CA LYS A 11 78.795 -3.741 -7.691 1.00 0.00 C ATOM 170 C LYS A 11 78.014 -4.599 -6.701 1.00 0.00 C ATOM 171 O LYS A 11 76.965 -4.190 -6.204 1.00 0.00 O ATOM 172 CB LYS A 11 79.353 -2.511 -6.971 1.00 0.00 C ATOM 173 CG LYS A 11 80.707 -2.856 -6.349 1.00 0.00 C ATOM 174 CD LYS A 11 80.954 -1.958 -5.134 1.00 0.00 C ATOM 175 CE LYS A 11 82.355 -2.223 -4.580 1.00 0.00 C ATOM 176 NZ LYS A 11 83.372 -1.644 -5.503 1.00 0.00 N ATOM 0 H LYS A 11 77.516 -2.405 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 11 79.617 -4.332 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.463 -1.684 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.658 -2.183 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.725 -3.904 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.502 -2.720 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.856 -0.910 -5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.205 -2.153 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.455 -1.782 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.517 -3.295 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.283 -1.563 -5.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.482 -2.263 -6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.062 -0.701 -5.814 1.00 0.00 H new ATOM 190 N THR A 12 78.530 -5.791 -6.421 1.00 0.00 N ATOM 191 CA THR A 12 77.869 -6.698 -5.489 1.00 0.00 C ATOM 192 C THR A 12 78.548 -6.648 -4.121 1.00 0.00 C ATOM 193 O THR A 12 79.697 -7.064 -3.975 1.00 0.00 O ATOM 194 CB THR A 12 77.917 -8.128 -6.031 1.00 0.00 C ATOM 195 OG1 THR A 12 77.401 -8.147 -7.356 1.00 0.00 O ATOM 196 CG2 THR A 12 77.077 -9.045 -5.142 1.00 0.00 C ATOM 0 H THR A 12 79.397 -6.150 -6.822 1.00 0.00 H new ATOM 0 HA THR A 12 76.831 -6.385 -5.380 1.00 0.00 H new ATOM 0 HB THR A 12 78.949 -8.479 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.836 -8.862 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.114 -10.062 -5.531 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.473 -9.030 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.044 -8.697 -5.133 1.00 0.00 H new ATOM 204 N ILE A 13 77.831 -6.139 -3.123 1.00 0.00 N ATOM 205 CA ILE A 13 78.382 -6.047 -1.775 1.00 0.00 C ATOM 206 C ILE A 13 78.002 -7.275 -0.955 1.00 0.00 C ATOM 207 O ILE A 13 76.823 -7.602 -0.820 1.00 0.00 O ATOM 208 CB ILE A 13 77.861 -4.792 -1.065 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.272 -3.824 -2.094 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.010 -4.107 -0.319 1.00 0.00 C ATOM 211 CD1 ILE A 13 77.022 -2.467 -1.435 1.00 0.00 C ATOM 0 H ILE A 13 76.878 -5.788 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 13 79.467 -5.991 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 13 77.087 -5.079 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.956 -3.711 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.340 -4.224 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.636 -3.215 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.425 -4.793 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.787 -3.824 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.603 -1.778 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.322 -2.587 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.963 -2.067 -1.058 1.00 0.00 H new ATOM 223 N THR A 14 79.007 -7.944 -0.400 1.00 0.00 N ATOM 224 CA THR A 14 78.765 -9.129 0.416 1.00 0.00 C ATOM 225 C THR A 14 78.914 -8.779 1.893 1.00 0.00 C ATOM 226 O THR A 14 79.908 -8.174 2.298 1.00 0.00 O ATOM 227 CB THR A 14 79.758 -10.232 0.044 1.00 0.00 C ATOM 228 OG1 THR A 14 79.659 -10.503 -1.348 1.00 0.00 O ATOM 229 CG2 THR A 14 79.441 -11.502 0.835 1.00 0.00 C ATOM 0 H THR A 14 79.990 -7.689 -0.499 1.00 0.00 H new ATOM 0 HA THR A 14 77.751 -9.485 0.232 1.00 0.00 H new ATOM 0 HB THR A 14 80.770 -9.904 0.283 1.00 0.00 H new ATOM 0 HG1 THR A 14 78.903 -11.105 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.151 -12.284 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.516 -11.294 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.430 -11.834 0.601 1.00 0.00 H new ATOM 237 N LEU A 15 77.920 -9.145 2.695 1.00 0.00 N ATOM 238 CA LEU A 15 77.957 -8.843 4.123 1.00 0.00 C ATOM 239 C LEU A 15 77.427 -10.012 4.947 1.00 0.00 C ATOM 240 O LEU A 15 76.699 -10.864 4.440 1.00 0.00 O ATOM 241 CB LEU A 15 77.102 -7.603 4.444 1.00 0.00 C ATOM 242 CG LEU A 15 77.013 -6.655 3.239 1.00 0.00 C ATOM 243 CD1 LEU A 15 75.984 -5.564 3.539 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.377 -6.007 2.988 1.00 0.00 C ATOM 0 H LEU A 15 77.087 -9.646 2.386 1.00 0.00 H new ATOM 0 HA LEU A 15 78.999 -8.654 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.100 -7.916 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.532 -7.073 5.294 1.00 0.00 H new ATOM 0 HG LEU A 15 76.714 -7.217 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.914 -4.886 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.011 -6.021 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.292 -5.006 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.309 -5.335 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.679 -5.442 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.116 -6.782 2.783 1.00 0.00 H new ATOM 256 N GLU A 16 77.775 -10.019 6.231 1.00 0.00 N ATOM 257 CA GLU A 16 77.307 -11.060 7.139 1.00 0.00 C ATOM 258 C GLU A 16 76.065 -10.553 7.860 1.00 0.00 C ATOM 259 O GLU A 16 76.088 -9.473 8.449 1.00 0.00 O ATOM 260 CB GLU A 16 78.395 -11.404 8.156 1.00 0.00 C ATOM 261 CG GLU A 16 79.771 -11.165 7.534 1.00 0.00 C ATOM 262 CD GLU A 16 80.849 -11.834 8.380 1.00 0.00 C ATOM 263 OE1 GLU A 16 81.494 -12.740 7.875 1.00 0.00 O ATOM 264 OE2 GLU A 16 81.014 -11.432 9.520 1.00 0.00 O ATOM 0 H GLU A 16 78.377 -9.318 6.664 1.00 0.00 H new ATOM 0 HA GLU A 16 77.069 -11.961 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.278 -10.792 9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.301 -12.444 8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.795 -11.563 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 16 79.966 -10.095 7.462 1.00 0.00 H new ATOM 271 N VAL A 17 74.974 -11.309 7.783 1.00 0.00 N ATOM 272 CA VAL A 17 73.732 -10.876 8.411 1.00 0.00 C ATOM 273 C VAL A 17 72.999 -12.017 9.113 1.00 0.00 C ATOM 274 O VAL A 17 73.050 -13.170 8.683 1.00 0.00 O ATOM 275 CB VAL A 17 72.816 -10.275 7.346 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.568 -9.199 6.563 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.360 -11.377 6.386 1.00 0.00 C ATOM 0 H VAL A 17 74.924 -12.207 7.302 1.00 0.00 H new ATOM 0 HA VAL A 17 73.990 -10.137 9.170 1.00 0.00 H new ATOM 0 HB VAL A 17 71.948 -9.827 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.910 -8.774 5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.892 -8.413 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.439 -9.642 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.706 -10.950 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.230 -11.825 5.906 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.818 -12.142 6.942 1.00 0.00 H new ATOM 287 N GLU A 18 72.301 -11.664 10.190 1.00 0.00 N ATOM 288 CA GLU A 18 71.525 -12.626 10.965 1.00 0.00 C ATOM 289 C GLU A 18 70.040 -12.241 10.916 1.00 0.00 C ATOM 290 O GLU A 18 69.715 -11.064 10.831 1.00 0.00 O ATOM 291 CB GLU A 18 72.007 -12.631 12.415 1.00 0.00 C ATOM 292 CG GLU A 18 73.396 -13.268 12.480 1.00 0.00 C ATOM 293 CD GLU A 18 74.108 -12.866 13.768 1.00 0.00 C ATOM 294 OE1 GLU A 18 75.118 -12.189 13.672 1.00 0.00 O ATOM 295 OE2 GLU A 18 73.648 -13.261 14.826 1.00 0.00 O ATOM 0 H GLU A 18 72.258 -10.710 10.547 1.00 0.00 H new ATOM 0 HA GLU A 18 71.657 -13.622 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 18 72.042 -11.613 12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.309 -13.187 13.041 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.308 -14.353 12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.986 -12.956 11.618 1.00 0.00 H new ATOM 302 N PRO A 19 69.143 -13.192 10.953 1.00 0.00 N ATOM 303 CA PRO A 19 67.677 -12.932 10.886 1.00 0.00 C ATOM 304 C PRO A 19 67.239 -11.579 11.470 1.00 0.00 C ATOM 305 O PRO A 19 66.362 -10.937 10.907 1.00 0.00 O ATOM 306 CB PRO A 19 67.100 -14.092 11.690 1.00 0.00 C ATOM 307 CG PRO A 19 68.048 -15.233 11.480 1.00 0.00 C ATOM 308 CD PRO A 19 69.405 -14.635 11.074 1.00 0.00 C ATOM 0 HA PRO A 19 67.330 -12.872 9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.021 -13.837 12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.097 -14.347 11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.146 -15.823 12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.676 -15.903 10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 19 70.170 -14.839 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 19 69.760 -15.055 10.133 1.00 0.00 H new ATOM 316 N SER A 20 67.824 -11.150 12.589 1.00 0.00 N ATOM 317 CA SER A 20 67.413 -9.872 13.196 1.00 0.00 C ATOM 318 C SER A 20 68.037 -8.686 12.460 1.00 0.00 C ATOM 319 O SER A 20 68.012 -7.547 12.926 1.00 0.00 O ATOM 320 CB SER A 20 67.810 -9.836 14.672 1.00 0.00 C ATOM 321 OG SER A 20 69.177 -10.204 14.800 1.00 0.00 O ATOM 0 H SER A 20 68.563 -11.647 13.086 1.00 0.00 H new ATOM 0 HA SER A 20 66.329 -9.794 13.114 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.651 -8.837 15.079 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.183 -10.518 15.246 1.00 0.00 H new ATOM 0 HG SER A 20 69.435 -10.180 15.745 1.00 0.00 H new ATOM 327 N ASP A 21 68.558 -8.990 11.293 1.00 0.00 N ATOM 328 CA ASP A 21 69.175 -8.023 10.393 1.00 0.00 C ATOM 329 C ASP A 21 68.110 -7.309 9.601 1.00 0.00 C ATOM 330 O ASP A 21 68.139 -7.285 8.369 1.00 0.00 O ATOM 331 CB ASP A 21 70.179 -8.656 9.462 1.00 0.00 C ATOM 332 CG ASP A 21 71.490 -8.876 10.203 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.463 -9.538 11.228 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.502 -8.372 9.744 1.00 0.00 O ATOM 0 H ASP A 21 68.568 -9.942 10.927 1.00 0.00 H new ATOM 0 HA ASP A 21 69.720 -7.308 11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.796 -9.606 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.342 -8.015 8.595 1.00 0.00 H new ATOM 339 N THR A 22 67.106 -6.851 10.302 1.00 0.00 N ATOM 340 CA THR A 22 65.953 -6.275 9.642 1.00 0.00 C ATOM 341 C THR A 22 66.330 -5.018 8.887 1.00 0.00 C ATOM 342 O THR A 22 67.223 -4.276 9.275 1.00 0.00 O ATOM 343 CB THR A 22 64.930 -5.855 10.701 1.00 0.00 C ATOM 344 OG1 THR A 22 65.083 -4.467 10.967 1.00 0.00 O ATOM 345 CG2 THR A 22 65.169 -6.642 11.984 1.00 0.00 C ATOM 0 H THR A 22 67.058 -6.863 11.321 1.00 0.00 H new ATOM 0 HA THR A 22 65.554 -7.022 8.956 1.00 0.00 H new ATOM 0 HB THR A 22 63.923 -6.056 10.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 65.862 -4.329 11.545 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.440 -6.341 12.736 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.064 -7.708 11.782 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.175 -6.440 12.353 1.00 0.00 H new ATOM 353 N ILE A 23 65.640 -4.847 7.764 1.00 0.00 N ATOM 354 CA ILE A 23 65.855 -3.733 6.851 1.00 0.00 C ATOM 355 C ILE A 23 66.431 -2.514 7.568 1.00 0.00 C ATOM 356 O ILE A 23 67.311 -1.833 7.040 1.00 0.00 O ATOM 357 CB ILE A 23 64.526 -3.374 6.198 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.685 -4.645 5.974 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.761 -2.669 4.866 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.504 -5.729 5.252 1.00 0.00 C ATOM 0 H ILE A 23 64.907 -5.487 7.460 1.00 0.00 H new ATOM 0 HA ILE A 23 66.581 -4.037 6.097 1.00 0.00 H new ATOM 0 HB ILE A 23 63.985 -2.700 6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.335 -5.027 6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.800 -4.401 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.802 -2.419 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.332 -1.756 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.317 -3.328 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.886 -6.615 5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.832 -5.352 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.375 -5.988 5.854 1.00 0.00 H new ATOM 372 N GLU A 24 65.935 -2.244 8.768 1.00 0.00 N ATOM 373 CA GLU A 24 66.419 -1.104 9.539 1.00 0.00 C ATOM 374 C GLU A 24 67.889 -1.304 9.909 1.00 0.00 C ATOM 375 O GLU A 24 68.715 -0.410 9.722 1.00 0.00 O ATOM 376 CB GLU A 24 65.571 -0.939 10.803 1.00 0.00 C ATOM 377 CG GLU A 24 66.136 0.198 11.653 1.00 0.00 C ATOM 378 CD GLU A 24 67.238 -0.327 12.566 1.00 0.00 C ATOM 379 OE1 GLU A 24 68.354 0.151 12.451 1.00 0.00 O ATOM 380 OE2 GLU A 24 66.950 -1.202 13.366 1.00 0.00 O ATOM 0 H GLU A 24 65.206 -2.791 9.226 1.00 0.00 H new ATOM 0 HA GLU A 24 66.334 -0.201 8.934 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.536 -0.726 10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.567 -1.867 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.531 0.983 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.341 0.646 12.250 1.00 0.00 H new ATOM 387 N ASN A 25 68.208 -2.491 10.417 1.00 0.00 N ATOM 388 CA ASN A 25 69.580 -2.823 10.795 1.00 0.00 C ATOM 389 C ASN A 25 70.453 -2.993 9.555 1.00 0.00 C ATOM 390 O ASN A 25 71.584 -2.512 9.510 1.00 0.00 O ATOM 391 CB ASN A 25 69.592 -4.124 11.604 1.00 0.00 C ATOM 392 CG ASN A 25 68.640 -4.003 12.788 1.00 0.00 C ATOM 393 OD1 ASN A 25 67.483 -4.412 12.700 1.00 0.00 O ATOM 394 ND2 ASN A 25 69.053 -3.443 13.893 1.00 0.00 N ATOM 0 H ASN A 25 67.535 -3.240 10.577 1.00 0.00 H new ATOM 0 HA ASN A 25 69.979 -2.008 11.399 1.00 0.00 H new ATOM 0 HB2 ASN A 25 69.295 -4.960 10.971 1.00 0.00 H new ATOM 0 HB3 ASN A 25 70.602 -4.334 11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 25 68.416 -3.345 14.684 1.00 0.00 H new ATOM 0 HD22 ASN A 25 70.012 -3.104 13.965 1.00 0.00 H new ATOM 401 N ALA A 26 69.919 -3.688 8.556 1.00 0.00 N ATOM 402 CA ALA A 26 70.657 -3.929 7.319 1.00 0.00 C ATOM 403 C ALA A 26 71.023 -2.614 6.639 1.00 0.00 C ATOM 404 O ALA A 26 72.142 -2.447 6.153 1.00 0.00 O ATOM 405 CB ALA A 26 69.814 -4.779 6.367 1.00 0.00 C ATOM 0 H ALA A 26 68.983 -4.093 8.577 1.00 0.00 H new ATOM 0 HA ALA A 26 71.576 -4.460 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.371 -4.955 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.583 -5.734 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.887 -4.255 6.136 1.00 0.00 H new ATOM 411 N LYS A 27 70.075 -1.684 6.605 1.00 0.00 N ATOM 412 CA LYS A 27 70.311 -0.391 5.977 1.00 0.00 C ATOM 413 C LYS A 27 71.459 0.339 6.671 1.00 0.00 C ATOM 414 O LYS A 27 72.202 1.088 6.037 1.00 0.00 O ATOM 415 CB LYS A 27 69.045 0.464 6.053 1.00 0.00 C ATOM 416 CG LYS A 27 68.133 0.138 4.869 1.00 0.00 C ATOM 417 CD LYS A 27 66.709 0.611 5.179 1.00 0.00 C ATOM 418 CE LYS A 27 65.878 0.613 3.894 1.00 0.00 C ATOM 419 NZ LYS A 27 65.674 2.017 3.438 1.00 0.00 N ATOM 0 H LYS A 27 69.143 -1.800 7.002 1.00 0.00 H new ATOM 0 HA LYS A 27 70.577 -0.558 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.522 0.275 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.307 1.522 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.502 0.626 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 27 68.138 -0.935 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.250 -0.044 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.733 1.612 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.385 0.038 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.915 0.133 4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.755 2.363 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.433 2.619 3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.691 2.050 2.399 1.00 0.00 H new ATOM 433 N ALA A 28 71.592 0.116 7.972 1.00 0.00 N ATOM 434 CA ALA A 28 72.651 0.758 8.745 1.00 0.00 C ATOM 435 C ALA A 28 74.019 0.223 8.330 1.00 0.00 C ATOM 436 O ALA A 28 74.998 0.968 8.282 1.00 0.00 O ATOM 437 CB ALA A 28 72.434 0.507 10.237 1.00 0.00 C ATOM 0 H ALA A 28 70.985 -0.500 8.513 1.00 0.00 H new ATOM 0 HA ALA A 28 72.619 1.830 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.228 0.989 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.470 0.918 10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.448 -0.565 10.431 1.00 0.00 H new ATOM 443 N LYS A 29 74.078 -1.070 8.031 1.00 0.00 N ATOM 444 CA LYS A 29 75.332 -1.694 7.624 1.00 0.00 C ATOM 445 C LYS A 29 75.783 -1.160 6.268 1.00 0.00 C ATOM 446 O LYS A 29 76.962 -0.868 6.067 1.00 0.00 O ATOM 447 CB LYS A 29 75.158 -3.212 7.545 1.00 0.00 C ATOM 448 CG LYS A 29 75.866 -3.869 8.731 1.00 0.00 C ATOM 449 CD LYS A 29 75.639 -5.382 8.690 1.00 0.00 C ATOM 450 CE LYS A 29 76.432 -6.047 9.815 1.00 0.00 C ATOM 451 NZ LYS A 29 77.824 -6.307 9.356 1.00 0.00 N ATOM 0 H LYS A 29 73.279 -1.703 8.062 1.00 0.00 H new ATOM 0 HA LYS A 29 76.093 -1.453 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.099 -3.468 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.570 -3.588 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.933 -3.650 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.486 -3.459 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.577 -5.604 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.951 -5.781 7.725 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.442 -5.405 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.954 -6.982 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 78.363 -6.759 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 77.805 -6.936 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 78.278 -5.408 9.097 1.00 0.00 H new ATOM 465 N ILE A 30 74.838 -1.034 5.342 1.00 0.00 N ATOM 466 CA ILE A 30 75.152 -0.531 4.010 1.00 0.00 C ATOM 467 C ILE A 30 75.559 0.936 4.073 1.00 0.00 C ATOM 468 O ILE A 30 76.448 1.377 3.345 1.00 0.00 O ATOM 469 CB ILE A 30 73.940 -0.694 3.094 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.930 -2.117 2.533 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.022 0.307 1.938 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.570 -2.402 1.901 1.00 0.00 C ATOM 0 H ILE A 30 73.857 -1.271 5.487 1.00 0.00 H new ATOM 0 HA ILE A 30 75.987 -1.106 3.610 1.00 0.00 H new ATOM 0 HB ILE A 30 73.028 -0.509 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.720 -2.233 1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.132 -2.835 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.155 0.185 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.038 1.322 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.932 0.128 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.560 -3.416 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.790 -2.303 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.387 -1.691 1.095 1.00 0.00 H new ATOM 484 N GLN A 31 74.901 1.688 4.949 1.00 0.00 N ATOM 485 CA GLN A 31 75.201 3.106 5.100 1.00 0.00 C ATOM 486 C GLN A 31 76.673 3.308 5.448 1.00 0.00 C ATOM 487 O GLN A 31 77.352 4.142 4.856 1.00 0.00 O ATOM 488 CB GLN A 31 74.326 3.707 6.202 1.00 0.00 C ATOM 489 CG GLN A 31 74.408 5.235 6.152 1.00 0.00 C ATOM 490 CD GLN A 31 74.322 5.805 7.564 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.642 5.239 8.421 1.00 0.00 O ATOM 492 NE2 GLN A 31 74.976 6.894 7.860 1.00 0.00 N ATOM 0 H GLN A 31 74.162 1.342 5.561 1.00 0.00 H new ATOM 0 HA GLN A 31 74.992 3.607 4.155 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.293 3.385 6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.655 3.347 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.342 5.543 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.598 5.632 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 31 75.538 7.361 7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 31 74.925 7.279 8.803 1.00 0.00 H new ATOM 501 N ASP A 32 77.162 2.536 6.409 1.00 0.00 N ATOM 502 CA ASP A 32 78.555 2.645 6.823 1.00 0.00 C ATOM 503 C ASP A 32 79.492 2.246 5.686 1.00 0.00 C ATOM 504 O ASP A 32 80.688 2.531 5.728 1.00 0.00 O ATOM 505 CB ASP A 32 78.811 1.746 8.035 1.00 0.00 C ATOM 506 CG ASP A 32 78.537 2.519 9.320 1.00 0.00 C ATOM 507 OD1 ASP A 32 77.563 2.204 9.982 1.00 0.00 O ATOM 508 OD2 ASP A 32 79.304 3.420 9.620 1.00 0.00 O ATOM 0 H ASP A 32 76.621 1.833 6.913 1.00 0.00 H new ATOM 0 HA ASP A 32 78.752 3.683 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.171 0.865 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.842 1.393 8.026 1.00 0.00 H new ATOM 513 N LYS A 33 78.944 1.573 4.677 1.00 0.00 N ATOM 514 CA LYS A 33 79.751 1.127 3.545 1.00 0.00 C ATOM 515 C LYS A 33 79.676 2.103 2.371 1.00 0.00 C ATOM 516 O LYS A 33 80.689 2.388 1.732 1.00 0.00 O ATOM 517 CB LYS A 33 79.275 -0.251 3.084 1.00 0.00 C ATOM 518 CG LYS A 33 79.606 -1.293 4.153 1.00 0.00 C ATOM 519 CD LYS A 33 80.767 -2.168 3.677 1.00 0.00 C ATOM 520 CE LYS A 33 81.092 -3.213 4.745 1.00 0.00 C ATOM 521 NZ LYS A 33 82.569 -3.295 4.927 1.00 0.00 N ATOM 0 H LYS A 33 77.956 1.327 4.620 1.00 0.00 H new ATOM 0 HA LYS A 33 80.787 1.078 3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.201 -0.233 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.755 -0.516 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.870 -0.798 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.731 -1.911 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.505 -2.660 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.643 -1.551 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.613 -2.947 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 33 80.697 -4.185 4.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.790 -4.006 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.015 -3.568 4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.934 -2.368 5.227 1.00 0.00 H new ATOM 535 N GLU A 34 78.474 2.596 2.075 1.00 0.00 N ATOM 536 CA GLU A 34 78.294 3.519 0.953 1.00 0.00 C ATOM 537 C GLU A 34 78.070 4.954 1.427 1.00 0.00 C ATOM 538 O GLU A 34 78.332 5.904 0.689 1.00 0.00 O ATOM 539 CB GLU A 34 77.099 3.073 0.106 1.00 0.00 C ATOM 540 CG GLU A 34 77.444 1.769 -0.614 1.00 0.00 C ATOM 541 CD GLU A 34 77.937 2.067 -2.026 1.00 0.00 C ATOM 542 OE1 GLU A 34 77.114 2.414 -2.858 1.00 0.00 O ATOM 543 OE2 GLU A 34 79.128 1.947 -2.254 1.00 0.00 O ATOM 0 H GLU A 34 77.620 2.376 2.588 1.00 0.00 H new ATOM 0 HA GLU A 34 79.207 3.499 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.223 2.931 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.845 3.846 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.211 1.229 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.567 1.124 -0.655 1.00 0.00 H new ATOM 550 N GLY A 35 77.584 5.110 2.652 1.00 0.00 N ATOM 551 CA GLY A 35 77.331 6.443 3.192 1.00 0.00 C ATOM 552 C GLY A 35 75.974 6.965 2.735 1.00 0.00 C ATOM 553 O GLY A 35 75.771 8.174 2.609 1.00 0.00 O ATOM 0 H GLY A 35 77.359 4.342 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.365 6.411 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.116 7.126 2.868 1.00 0.00 H new ATOM 557 N ILE A 36 75.047 6.045 2.486 1.00 0.00 N ATOM 558 CA ILE A 36 73.709 6.418 2.040 1.00 0.00 C ATOM 559 C ILE A 36 72.711 6.318 3.202 1.00 0.00 C ATOM 560 O ILE A 36 72.328 5.211 3.585 1.00 0.00 O ATOM 561 CB ILE A 36 73.265 5.480 0.914 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.302 5.504 -0.213 1.00 0.00 C ATOM 563 CG2 ILE A 36 71.914 5.943 0.366 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.997 4.386 -1.212 1.00 0.00 C ATOM 0 H ILE A 36 75.196 5.041 2.585 1.00 0.00 H new ATOM 0 HA ILE A 36 73.734 7.446 1.679 1.00 0.00 H new ATOM 0 HB ILE A 36 73.174 4.466 1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.285 6.471 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.304 5.376 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.598 5.275 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.173 5.927 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.007 6.957 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.735 4.403 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.036 3.423 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.002 4.534 -1.631 1.00 0.00 H new ATOM 576 N PRO A 37 72.280 7.422 3.780 1.00 0.00 N ATOM 577 CA PRO A 37 71.316 7.388 4.918 1.00 0.00 C ATOM 578 C PRO A 37 70.148 6.426 4.649 1.00 0.00 C ATOM 579 O PRO A 37 69.617 6.403 3.539 1.00 0.00 O ATOM 580 CB PRO A 37 70.821 8.833 5.011 1.00 0.00 C ATOM 581 CG PRO A 37 71.943 9.660 4.481 1.00 0.00 C ATOM 582 CD PRO A 37 72.651 8.807 3.428 1.00 0.00 C ATOM 0 HA PRO A 37 71.775 7.030 5.839 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.913 8.978 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.583 9.103 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.570 10.586 4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.630 9.940 5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.324 9.064 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.731 8.951 3.459 1.00 0.00 H new ATOM 590 N PRO A 38 69.728 5.636 5.618 1.00 0.00 N ATOM 591 CA PRO A 38 68.599 4.682 5.426 1.00 0.00 C ATOM 592 C PRO A 38 67.442 5.300 4.642 1.00 0.00 C ATOM 593 O PRO A 38 66.624 4.587 4.059 1.00 0.00 O ATOM 594 CB PRO A 38 68.165 4.345 6.852 1.00 0.00 C ATOM 595 CG PRO A 38 69.379 4.537 7.698 1.00 0.00 C ATOM 596 CD PRO A 38 70.272 5.557 6.988 1.00 0.00 C ATOM 0 HA PRO A 38 68.899 3.810 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.353 4.995 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.799 3.320 6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.103 4.893 8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.906 3.593 7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.239 6.527 7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.314 5.237 6.983 1.00 0.00 H new ATOM 604 N ASP A 39 67.375 6.627 4.640 1.00 0.00 N ATOM 605 CA ASP A 39 66.308 7.331 3.935 1.00 0.00 C ATOM 606 C ASP A 39 66.511 7.260 2.422 1.00 0.00 C ATOM 607 O ASP A 39 65.545 7.254 1.659 1.00 0.00 O ATOM 608 CB ASP A 39 66.270 8.794 4.375 1.00 0.00 C ATOM 609 CG ASP A 39 64.918 9.116 5.004 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.908 9.655 6.098 1.00 0.00 O ATOM 611 OD2 ASP A 39 63.912 8.818 4.381 1.00 0.00 O ATOM 0 H ASP A 39 68.042 7.235 5.115 1.00 0.00 H new ATOM 0 HA ASP A 39 65.363 6.848 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.069 8.988 5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.446 9.444 3.518 1.00 0.00 H new ATOM 616 N GLN A 40 67.768 7.212 1.997 1.00 0.00 N ATOM 617 CA GLN A 40 68.079 7.146 0.573 1.00 0.00 C ATOM 618 C GLN A 40 68.402 5.715 0.159 1.00 0.00 C ATOM 619 O GLN A 40 68.867 5.471 -0.955 1.00 0.00 O ATOM 620 CB GLN A 40 69.272 8.052 0.259 1.00 0.00 C ATOM 621 CG GLN A 40 68.786 9.491 0.076 1.00 0.00 C ATOM 622 CD GLN A 40 69.972 10.450 0.092 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.360 10.975 -0.951 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.574 10.709 1.219 1.00 0.00 N ATOM 0 H GLN A 40 68.582 7.217 2.611 1.00 0.00 H new ATOM 0 HA GLN A 40 67.207 7.484 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.002 8.003 1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.775 7.709 -0.645 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.246 9.584 -0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 40 68.087 9.751 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.250 10.272 2.082 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.369 11.348 1.238 1.00 0.00 H new ATOM 633 N GLN A 41 68.153 4.772 1.062 1.00 0.00 N ATOM 634 CA GLN A 41 68.423 3.368 0.780 1.00 0.00 C ATOM 635 C GLN A 41 67.133 2.632 0.431 1.00 0.00 C ATOM 636 O GLN A 41 66.144 2.710 1.162 1.00 0.00 O ATOM 637 CB GLN A 41 69.071 2.705 1.998 1.00 0.00 C ATOM 638 CG GLN A 41 70.437 3.339 2.276 1.00 0.00 C ATOM 639 CD GLN A 41 71.293 2.383 3.099 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.358 1.191 2.797 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.959 2.836 4.126 1.00 0.00 N ATOM 0 H GLN A 41 67.767 4.953 1.989 1.00 0.00 H new ATOM 0 HA GLN A 41 69.102 3.314 -0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.425 2.816 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.187 1.636 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.938 3.573 1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.309 4.280 2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.904 3.824 4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 41 72.535 2.202 4.680 1.00 0.00 H new ATOM 650 N ARG A 42 67.155 1.915 -0.688 1.00 0.00 N ATOM 651 CA ARG A 42 65.987 1.160 -1.131 1.00 0.00 C ATOM 652 C ARG A 42 66.387 -0.263 -1.510 1.00 0.00 C ATOM 653 O ARG A 42 67.049 -0.477 -2.524 1.00 0.00 O ATOM 654 CB ARG A 42 65.348 1.841 -2.337 1.00 0.00 C ATOM 655 CG ARG A 42 63.829 1.868 -2.156 1.00 0.00 C ATOM 656 CD ARG A 42 63.164 2.366 -3.440 1.00 0.00 C ATOM 657 NE ARG A 42 62.256 1.353 -3.965 1.00 0.00 N ATOM 658 CZ ARG A 42 61.730 1.467 -5.181 1.00 0.00 C ATOM 659 NH1 ARG A 42 60.915 0.550 -5.627 1.00 0.00 N ATOM 660 NH2 ARG A 42 62.029 2.493 -5.928 1.00 0.00 N ATOM 0 H ARG A 42 67.965 1.841 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 42 65.270 1.125 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.731 2.856 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.608 1.307 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.465 0.870 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.564 2.518 -1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.616 3.287 -3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.925 2.603 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 42 62.021 0.544 -3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.682 -0.253 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 42 60.511 0.637 -6.560 1.00 0.00 H new ATOM 0 HH21 ARG A 42 62.667 3.209 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 42 61.625 2.580 -6.861 1.00 0.00 H new ATOM 674 N LEU A 43 65.981 -1.229 -0.694 1.00 0.00 N ATOM 675 CA LEU A 43 66.309 -2.625 -0.965 1.00 0.00 C ATOM 676 C LEU A 43 65.120 -3.341 -1.597 1.00 0.00 C ATOM 677 O LEU A 43 64.045 -3.422 -1.004 1.00 0.00 O ATOM 678 CB LEU A 43 66.706 -3.330 0.334 1.00 0.00 C ATOM 679 CG LEU A 43 68.045 -2.779 0.825 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.113 -2.883 2.349 1.00 0.00 C ATOM 681 CD2 LEU A 43 69.190 -3.589 0.209 1.00 0.00 C ATOM 0 H LEU A 43 65.431 -1.075 0.151 1.00 0.00 H new ATOM 0 HA LEU A 43 67.146 -2.655 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.938 -3.178 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.782 -4.405 0.168 1.00 0.00 H new ATOM 0 HG LEU A 43 68.136 -1.735 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.068 -2.490 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.300 -2.306 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.020 -3.927 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 43 70.144 -3.195 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 43 69.097 -4.634 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 43 69.144 -3.515 -0.878 1.00 0.00 H new ATOM 693 N ILE A 44 65.326 -3.856 -2.807 1.00 0.00 N ATOM 694 CA ILE A 44 64.272 -4.567 -3.523 1.00 0.00 C ATOM 695 C ILE A 44 64.630 -6.043 -3.668 1.00 0.00 C ATOM 696 O ILE A 44 65.766 -6.386 -3.990 1.00 0.00 O ATOM 697 CB ILE A 44 64.076 -3.951 -4.913 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.192 -2.701 -4.808 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.398 -4.971 -5.831 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.881 -1.645 -3.938 1.00 0.00 C ATOM 0 H ILE A 44 66.211 -3.794 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 44 63.347 -4.480 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 44 65.048 -3.674 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.000 -2.297 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.225 -2.964 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.258 -4.534 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.024 -5.860 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.429 -5.247 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 44 63.247 -0.761 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 44 64.050 -2.050 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.837 -1.372 -4.386 1.00 0.00 H new ATOM 712 N PHE A 45 63.652 -6.912 -3.430 1.00 0.00 N ATOM 713 CA PHE A 45 63.876 -8.349 -3.541 1.00 0.00 C ATOM 714 C PHE A 45 62.648 -9.040 -4.123 1.00 0.00 C ATOM 715 O PHE A 45 61.519 -8.757 -3.726 1.00 0.00 O ATOM 716 CB PHE A 45 64.191 -8.936 -2.163 1.00 0.00 C ATOM 717 CG PHE A 45 64.348 -10.433 -2.278 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.315 -11.280 -1.857 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.526 -10.976 -2.805 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.459 -12.668 -1.964 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.669 -12.365 -2.913 1.00 0.00 C ATOM 722 CZ PHE A 45 64.636 -13.211 -2.492 1.00 0.00 C ATOM 0 H PHE A 45 62.704 -6.649 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 45 64.721 -8.516 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.105 -8.493 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.391 -8.696 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.407 -10.862 -1.449 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.324 -10.324 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.662 -13.320 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.577 -12.784 -3.321 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.747 -14.282 -2.575 1.00 0.00 H new ATOM 732 N ALA A 46 62.879 -9.949 -5.067 1.00 0.00 N ATOM 733 CA ALA A 46 61.783 -10.675 -5.698 1.00 0.00 C ATOM 734 C ALA A 46 60.816 -9.708 -6.373 1.00 0.00 C ATOM 735 O ALA A 46 59.657 -10.044 -6.618 1.00 0.00 O ATOM 736 CB ALA A 46 61.034 -11.503 -4.654 1.00 0.00 C ATOM 0 H ALA A 46 63.807 -10.198 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 46 62.202 -11.339 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.217 -12.042 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.719 -12.216 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.631 -10.842 -3.886 1.00 0.00 H new ATOM 742 N GLY A 47 61.299 -8.507 -6.672 1.00 0.00 N ATOM 743 CA GLY A 47 60.467 -7.498 -7.320 1.00 0.00 C ATOM 744 C GLY A 47 59.613 -6.758 -6.297 1.00 0.00 C ATOM 745 O GLY A 47 58.889 -5.824 -6.641 1.00 0.00 O ATOM 0 H GLY A 47 62.255 -8.209 -6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.099 -6.788 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.824 -7.973 -8.061 1.00 0.00 H new ATOM 749 N LYS A 48 59.702 -7.180 -5.040 1.00 0.00 N ATOM 750 CA LYS A 48 58.931 -6.550 -3.974 1.00 0.00 C ATOM 751 C LYS A 48 59.824 -5.640 -3.134 1.00 0.00 C ATOM 752 O LYS A 48 60.985 -5.958 -2.879 1.00 0.00 O ATOM 753 CB LYS A 48 58.306 -7.620 -3.078 1.00 0.00 C ATOM 754 CG LYS A 48 56.781 -7.514 -3.145 1.00 0.00 C ATOM 755 CD LYS A 48 56.155 -8.645 -2.325 1.00 0.00 C ATOM 756 CE LYS A 48 55.685 -9.757 -3.266 1.00 0.00 C ATOM 757 NZ LYS A 48 54.671 -9.214 -4.212 1.00 0.00 N ATOM 0 H LYS A 48 60.296 -7.951 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 48 58.142 -5.950 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.627 -8.611 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.645 -7.492 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 48 56.456 -6.548 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 48 56.447 -7.573 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.882 -9.038 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.314 -8.265 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.533 -10.162 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 48 55.258 -10.578 -2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 53.922 -9.920 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 54.256 -8.347 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 55.126 -8.996 -5.121 1.00 0.00 H new ATOM 771 N GLN A 49 59.271 -4.510 -2.706 1.00 0.00 N ATOM 772 CA GLN A 49 60.025 -3.564 -1.894 1.00 0.00 C ATOM 773 C GLN A 49 59.959 -3.954 -0.420 1.00 0.00 C ATOM 774 O GLN A 49 58.896 -4.314 0.087 1.00 0.00 O ATOM 775 CB GLN A 49 59.461 -2.153 -2.078 1.00 0.00 C ATOM 776 CG GLN A 49 60.325 -1.150 -1.311 1.00 0.00 C ATOM 777 CD GLN A 49 59.490 -0.456 -0.239 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.907 -1.119 0.620 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.395 0.844 -0.239 1.00 0.00 N ATOM 0 H GLN A 49 58.311 -4.229 -2.906 1.00 0.00 H new ATOM 0 HA GLN A 49 61.066 -3.583 -2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.439 -1.895 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.433 -2.112 -1.719 1.00 0.00 H new ATOM 0 HG2 GLN A 49 61.170 -1.662 -0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.736 -0.411 -1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.879 1.391 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.837 1.315 0.473 1.00 0.00 H new ATOM 788 N LEU A 50 61.098 -3.884 0.259 1.00 0.00 N ATOM 789 CA LEU A 50 61.153 -4.236 1.674 1.00 0.00 C ATOM 790 C LEU A 50 60.867 -3.015 2.544 1.00 0.00 C ATOM 791 O LEU A 50 61.507 -1.974 2.401 1.00 0.00 O ATOM 792 CB LEU A 50 62.534 -4.798 2.020 1.00 0.00 C ATOM 793 CG LEU A 50 62.955 -5.820 0.961 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.265 -6.488 1.383 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.864 -6.885 0.819 1.00 0.00 C ATOM 0 H LEU A 50 61.988 -3.590 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 50 60.393 -4.993 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.264 -3.990 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.510 -5.268 3.003 1.00 0.00 H new ATOM 0 HG LEU A 50 63.098 -5.313 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.563 -7.215 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 50 65.043 -5.731 1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 50 64.124 -6.994 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 50 62.163 -7.613 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.721 -7.389 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.930 -6.411 0.516 1.00 0.00 H new ATOM 807 N GLU A 51 59.899 -3.152 3.446 1.00 0.00 N ATOM 808 CA GLU A 51 59.535 -2.057 4.339 1.00 0.00 C ATOM 809 C GLU A 51 60.328 -2.142 5.635 1.00 0.00 C ATOM 810 O GLU A 51 60.764 -3.220 6.037 1.00 0.00 O ATOM 811 CB GLU A 51 58.036 -2.112 4.648 1.00 0.00 C ATOM 812 CG GLU A 51 57.299 -1.095 3.776 1.00 0.00 C ATOM 813 CD GLU A 51 55.796 -1.335 3.853 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.199 -1.569 2.815 1.00 0.00 O ATOM 815 OE2 GLU A 51 55.262 -1.279 4.949 1.00 0.00 O ATOM 0 H GLU A 51 59.356 -4.005 3.577 1.00 0.00 H new ATOM 0 HA GLU A 51 59.768 -1.114 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.652 -3.115 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.863 -1.896 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.531 -0.083 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.636 -1.177 2.743 1.00 0.00 H new ATOM 822 N ASP A 52 60.515 -1.000 6.283 1.00 0.00 N ATOM 823 CA ASP A 52 61.263 -0.960 7.529 1.00 0.00 C ATOM 824 C ASP A 52 60.421 -1.507 8.678 1.00 0.00 C ATOM 825 O ASP A 52 59.393 -0.933 9.035 1.00 0.00 O ATOM 826 CB ASP A 52 61.689 0.475 7.838 1.00 0.00 C ATOM 827 CG ASP A 52 61.077 1.433 6.820 1.00 0.00 C ATOM 828 OD1 ASP A 52 60.016 1.965 7.100 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.676 1.612 5.773 1.00 0.00 O ATOM 0 H ASP A 52 60.162 -0.096 5.968 1.00 0.00 H new ATOM 0 HA ASP A 52 62.151 -1.583 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.371 0.749 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.776 0.553 7.815 1.00 0.00 H new ATOM 834 N GLY A 53 60.865 -2.621 9.254 1.00 0.00 N ATOM 835 CA GLY A 53 60.144 -3.237 10.363 1.00 0.00 C ATOM 836 C GLY A 53 60.166 -4.759 10.255 1.00 0.00 C ATOM 837 O GLY A 53 60.238 -5.460 11.264 1.00 0.00 O ATOM 0 H GLY A 53 61.714 -3.112 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.593 -2.930 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.113 -2.885 10.371 1.00 0.00 H new ATOM 841 N ARG A 54 60.110 -5.265 9.027 1.00 0.00 N ATOM 842 CA ARG A 54 60.132 -6.707 8.806 1.00 0.00 C ATOM 843 C ARG A 54 61.565 -7.211 8.851 1.00 0.00 C ATOM 844 O ARG A 54 62.494 -6.470 8.541 1.00 0.00 O ATOM 845 CB ARG A 54 59.515 -7.046 7.449 1.00 0.00 C ATOM 846 CG ARG A 54 58.432 -6.023 7.102 1.00 0.00 C ATOM 847 CD ARG A 54 57.418 -5.948 8.244 1.00 0.00 C ATOM 848 NE ARG A 54 56.094 -5.636 7.721 1.00 0.00 N ATOM 849 CZ ARG A 54 55.035 -5.576 8.522 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.862 -5.281 8.030 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.168 -5.812 9.797 1.00 0.00 N ATOM 0 H ARG A 54 60.050 -4.704 8.177 1.00 0.00 H new ATOM 0 HA ARG A 54 59.550 -7.190 9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.286 -7.048 6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.087 -8.048 7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.881 -5.044 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.932 -6.306 6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.391 -6.897 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.723 -5.186 8.961 1.00 0.00 H new ATOM 0 HE ARG A 54 55.978 -5.461 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.759 -5.097 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.049 -5.235 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.085 -6.043 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.355 -5.766 10.412 1.00 0.00 H new ATOM 865 N THR A 55 61.744 -8.467 9.250 1.00 0.00 N ATOM 866 CA THR A 55 63.083 -9.033 9.339 1.00 0.00 C ATOM 867 C THR A 55 63.388 -9.951 8.170 1.00 0.00 C ATOM 868 O THR A 55 62.490 -10.368 7.440 1.00 0.00 O ATOM 869 CB THR A 55 63.254 -9.770 10.663 1.00 0.00 C ATOM 870 OG1 THR A 55 62.424 -10.922 10.686 1.00 0.00 O ATOM 871 CG2 THR A 55 62.866 -8.824 11.790 1.00 0.00 C ATOM 0 H THR A 55 60.991 -9.102 9.513 1.00 0.00 H new ATOM 0 HA THR A 55 63.796 -8.210 9.296 1.00 0.00 H new ATOM 0 HB THR A 55 64.289 -10.089 10.784 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.540 -11.392 11.538 1.00 0.00 H new ATOM 0 HG21 THR A 55 62.981 -9.332 12.747 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.511 -7.945 11.766 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.828 -8.516 11.665 1.00 0.00 H new ATOM 879 N LEU A 56 64.673 -10.250 7.990 1.00 0.00 N ATOM 880 CA LEU A 56 65.087 -11.107 6.892 1.00 0.00 C ATOM 881 C LEU A 56 64.350 -12.438 6.979 1.00 0.00 C ATOM 882 O LEU A 56 64.016 -13.044 5.961 1.00 0.00 O ATOM 883 CB LEU A 56 66.600 -11.376 6.949 1.00 0.00 C ATOM 884 CG LEU A 56 67.407 -10.114 6.604 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.899 -10.440 6.671 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.075 -9.648 5.186 1.00 0.00 C ATOM 0 H LEU A 56 65.432 -9.915 8.583 1.00 0.00 H new ATOM 0 HA LEU A 56 64.850 -10.602 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.872 -11.723 7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.856 -12.175 6.253 1.00 0.00 H new ATOM 0 HG LEU A 56 67.155 -9.327 7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.477 -9.549 6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.154 -10.774 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.131 -11.230 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.652 -8.753 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.325 -10.437 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.011 -9.421 5.117 1.00 0.00 H new ATOM 898 N SER A 57 64.100 -12.886 8.207 1.00 0.00 N ATOM 899 CA SER A 57 63.403 -14.150 8.422 1.00 0.00 C ATOM 900 C SER A 57 61.930 -14.028 8.038 1.00 0.00 C ATOM 901 O SER A 57 61.311 -15.003 7.609 1.00 0.00 O ATOM 902 CB SER A 57 63.516 -14.564 9.889 1.00 0.00 C ATOM 903 OG SER A 57 64.347 -15.713 9.990 1.00 0.00 O ATOM 0 H SER A 57 64.367 -12.397 9.061 1.00 0.00 H new ATOM 0 HA SER A 57 63.867 -14.909 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 57 63.932 -13.747 10.478 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.528 -14.779 10.295 1.00 0.00 H new ATOM 0 HG SER A 57 64.423 -15.980 10.930 1.00 0.00 H new ATOM 909 N ASP A 58 61.375 -12.832 8.198 1.00 0.00 N ATOM 910 CA ASP A 58 59.972 -12.600 7.867 1.00 0.00 C ATOM 911 C ASP A 58 59.761 -12.621 6.357 1.00 0.00 C ATOM 912 O ASP A 58 58.725 -13.078 5.873 1.00 0.00 O ATOM 913 CB ASP A 58 59.519 -11.253 8.430 1.00 0.00 C ATOM 914 CG ASP A 58 59.685 -11.243 9.945 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.838 -12.312 10.511 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.653 -10.166 10.519 1.00 0.00 O ATOM 0 H ASP A 58 61.870 -12.013 8.552 1.00 0.00 H new ATOM 0 HA ASP A 58 59.379 -13.399 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.104 -10.448 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.477 -11.071 8.168 1.00 0.00 H new ATOM 921 N TYR A 59 60.746 -12.126 5.617 1.00 0.00 N ATOM 922 CA TYR A 59 60.653 -12.098 4.162 1.00 0.00 C ATOM 923 C TYR A 59 61.164 -13.410 3.580 1.00 0.00 C ATOM 924 O TYR A 59 61.221 -13.583 2.363 1.00 0.00 O ATOM 925 CB TYR A 59 61.474 -10.934 3.604 1.00 0.00 C ATOM 926 CG TYR A 59 60.572 -9.744 3.362 1.00 0.00 C ATOM 927 CD1 TYR A 59 60.754 -8.565 4.094 1.00 0.00 C ATOM 928 CD2 TYR A 59 59.557 -9.824 2.402 1.00 0.00 C ATOM 929 CE1 TYR A 59 59.920 -7.464 3.867 1.00 0.00 C ATOM 930 CE2 TYR A 59 58.722 -8.723 2.173 1.00 0.00 C ATOM 931 CZ TYR A 59 58.902 -7.544 2.907 1.00 0.00 C ATOM 932 OH TYR A 59 58.080 -6.458 2.681 1.00 0.00 O ATOM 0 H TYR A 59 61.611 -11.742 5.996 1.00 0.00 H new ATOM 0 HA TYR A 59 59.608 -11.965 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.266 -10.666 4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 59 61.958 -11.231 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 59 61.538 -8.505 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 59 59.418 -10.734 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 59 60.061 -6.554 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 59 57.940 -8.783 1.431 1.00 0.00 H new ATOM 0 HH TYR A 59 57.429 -6.680 1.983 1.00 0.00 H new ATOM 942 N ASN A 60 61.534 -14.332 4.464 1.00 0.00 N ATOM 943 CA ASN A 60 62.040 -15.628 4.037 1.00 0.00 C ATOM 944 C ASN A 60 63.327 -15.464 3.236 1.00 0.00 C ATOM 945 O ASN A 60 63.675 -16.320 2.422 1.00 0.00 O ATOM 946 CB ASN A 60 60.992 -16.345 3.183 1.00 0.00 C ATOM 947 CG ASN A 60 59.591 -15.990 3.667 1.00 0.00 C ATOM 948 OD1 ASN A 60 58.798 -15.425 2.914 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.237 -16.287 4.888 1.00 0.00 N ATOM 0 H ASN A 60 61.493 -14.205 5.475 1.00 0.00 H new ATOM 0 HA ASN A 60 62.252 -16.223 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.107 -16.060 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.142 -17.423 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.302 -16.051 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.896 -16.755 5.510 1.00 0.00 H new ATOM 956 N ILE A 61 64.031 -14.362 3.471 1.00 0.00 N ATOM 957 CA ILE A 61 65.278 -14.104 2.762 1.00 0.00 C ATOM 958 C ILE A 61 66.346 -15.102 3.191 1.00 0.00 C ATOM 959 O ILE A 61 66.392 -15.518 4.348 1.00 0.00 O ATOM 960 CB ILE A 61 65.745 -12.671 3.027 1.00 0.00 C ATOM 961 CG1 ILE A 61 64.994 -11.734 2.069 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.253 -12.566 2.773 1.00 0.00 C ATOM 963 CD1 ILE A 61 64.953 -10.305 2.620 1.00 0.00 C ATOM 0 H ILE A 61 63.763 -13.640 4.140 1.00 0.00 H new ATOM 0 HA ILE A 61 65.107 -14.223 1.692 1.00 0.00 H new ATOM 0 HB ILE A 61 65.541 -12.394 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.481 -11.738 1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.978 -12.099 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.584 -11.545 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.782 -13.248 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.467 -12.831 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.416 -9.662 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.444 -10.301 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 61 65.970 -9.934 2.746 1.00 0.00 H new ATOM 975 N GLN A 62 67.193 -15.496 2.247 1.00 0.00 N ATOM 976 CA GLN A 62 68.245 -16.461 2.535 1.00 0.00 C ATOM 977 C GLN A 62 69.526 -15.759 2.968 1.00 0.00 C ATOM 978 O GLN A 62 69.674 -14.548 2.800 1.00 0.00 O ATOM 979 CB GLN A 62 68.524 -17.314 1.295 1.00 0.00 C ATOM 980 CG GLN A 62 67.362 -18.282 1.069 1.00 0.00 C ATOM 981 CD GLN A 62 67.034 -18.363 -0.419 1.00 0.00 C ATOM 982 OE1 GLN A 62 66.081 -17.735 -0.879 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.770 -19.104 -1.199 1.00 0.00 N ATOM 0 H GLN A 62 67.172 -15.164 1.283 1.00 0.00 H new ATOM 0 HA GLN A 62 67.906 -17.099 3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.653 -16.674 0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.453 -17.869 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 62 67.622 -19.271 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.486 -17.948 1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.559 -19.623 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.557 -19.165 -2.195 1.00 0.00 H new ATOM 992 N LYS A 63 70.446 -16.533 3.530 1.00 0.00 N ATOM 993 CA LYS A 63 71.718 -15.990 3.993 1.00 0.00 C ATOM 994 C LYS A 63 72.691 -15.843 2.841 1.00 0.00 C ATOM 995 O LYS A 63 73.794 -15.346 3.021 1.00 0.00 O ATOM 996 CB LYS A 63 72.320 -16.915 5.049 1.00 0.00 C ATOM 997 CG LYS A 63 72.236 -18.363 4.567 1.00 0.00 C ATOM 998 CD LYS A 63 71.107 -19.077 5.313 1.00 0.00 C ATOM 999 CE LYS A 63 71.521 -19.328 6.766 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.458 -18.819 7.679 1.00 0.00 N ATOM 0 H LYS A 63 70.336 -17.536 3.676 1.00 0.00 H new ATOM 0 HA LYS A 63 71.535 -15.006 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.359 -16.643 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.786 -16.803 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.053 -18.391 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.183 -18.873 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.200 -18.473 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.876 -20.023 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.678 -20.394 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.467 -18.829 6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 70.738 -18.989 8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 70.329 -17.798 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 69.565 -19.314 7.482 1.00 0.00 H new ATOM 1014 N GLU A 64 72.267 -16.278 1.664 1.00 0.00 N ATOM 1015 CA GLU A 64 73.089 -16.196 0.475 1.00 0.00 C ATOM 1016 C GLU A 64 72.327 -15.493 -0.647 1.00 0.00 C ATOM 1017 O GLU A 64 72.880 -15.211 -1.708 1.00 0.00 O ATOM 1018 CB GLU A 64 73.502 -17.599 0.034 1.00 0.00 C ATOM 1019 CG GLU A 64 74.923 -17.884 0.525 1.00 0.00 C ATOM 1020 CD GLU A 64 75.265 -19.355 0.316 1.00 0.00 C ATOM 1021 OE1 GLU A 64 74.345 -20.140 0.151 1.00 0.00 O ATOM 1022 OE2 GLU A 64 76.442 -19.675 0.324 1.00 0.00 O ATOM 0 H GLU A 64 71.349 -16.695 1.511 1.00 0.00 H new ATOM 0 HA GLU A 64 73.984 -15.617 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.810 -18.338 0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.457 -17.680 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.634 -17.257 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.009 -17.629 1.581 1.00 0.00 H new ATOM 1029 N SER A 65 71.045 -15.237 -0.406 1.00 0.00 N ATOM 1030 CA SER A 65 70.191 -14.589 -1.400 1.00 0.00 C ATOM 1031 C SER A 65 70.843 -13.331 -1.966 1.00 0.00 C ATOM 1032 O SER A 65 71.799 -12.802 -1.399 1.00 0.00 O ATOM 1033 CB SER A 65 68.849 -14.225 -0.769 1.00 0.00 C ATOM 1034 OG SER A 65 67.859 -15.149 -1.203 1.00 0.00 O ATOM 0 H SER A 65 70.573 -15.468 0.468 1.00 0.00 H new ATOM 0 HA SER A 65 70.041 -15.292 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.928 -14.243 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.565 -13.211 -1.051 1.00 0.00 H new ATOM 0 HG SER A 65 66.997 -14.919 -0.798 1.00 0.00 H new ATOM 1040 N THR A 66 70.303 -12.858 -3.087 1.00 0.00 N ATOM 1041 CA THR A 66 70.813 -11.658 -3.739 1.00 0.00 C ATOM 1042 C THR A 66 69.755 -10.557 -3.712 1.00 0.00 C ATOM 1043 O THR A 66 68.658 -10.726 -4.246 1.00 0.00 O ATOM 1044 CB THR A 66 71.186 -11.970 -5.190 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.942 -13.172 -5.234 1.00 0.00 O ATOM 1046 CG2 THR A 66 72.016 -10.822 -5.767 1.00 0.00 C ATOM 0 H THR A 66 69.511 -13.290 -3.562 1.00 0.00 H new ATOM 0 HA THR A 66 71.699 -11.318 -3.203 1.00 0.00 H new ATOM 0 HB THR A 66 70.277 -12.088 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.180 -13.375 -6.163 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.280 -11.047 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.435 -9.900 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.925 -10.699 -5.179 1.00 0.00 H new ATOM 1054 N LEU A 67 70.086 -9.432 -3.082 1.00 0.00 N ATOM 1055 CA LEU A 67 69.148 -8.316 -2.988 1.00 0.00 C ATOM 1056 C LEU A 67 69.530 -7.204 -3.957 1.00 0.00 C ATOM 1057 O LEU A 67 70.694 -7.067 -4.335 1.00 0.00 O ATOM 1058 CB LEU A 67 69.139 -7.756 -1.564 1.00 0.00 C ATOM 1059 CG LEU A 67 68.939 -8.896 -0.564 1.00 0.00 C ATOM 1060 CD1 LEU A 67 70.204 -9.062 0.280 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.758 -8.573 0.353 1.00 0.00 C ATOM 0 H LEU A 67 70.987 -9.270 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 67 68.156 -8.687 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.077 -7.240 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.341 -7.021 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 67 68.737 -9.820 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 67 70.062 -9.874 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 67 71.048 -9.293 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.405 -8.137 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.617 -9.386 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.960 -7.648 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.855 -8.454 -0.245 1.00 0.00 H new ATOM 1073 N HIS A 68 68.539 -6.409 -4.350 1.00 0.00 N ATOM 1074 CA HIS A 68 68.774 -5.302 -5.269 1.00 0.00 C ATOM 1075 C HIS A 68 68.746 -3.979 -4.512 1.00 0.00 C ATOM 1076 O HIS A 68 67.738 -3.626 -3.898 1.00 0.00 O ATOM 1077 CB HIS A 68 67.705 -5.295 -6.363 1.00 0.00 C ATOM 1078 CG HIS A 68 67.942 -6.444 -7.303 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.489 -7.726 -7.031 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.580 -6.522 -8.516 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.859 -8.514 -8.057 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.528 -7.830 -8.990 1.00 0.00 N ATOM 0 H HIS A 68 67.570 -6.511 -4.048 1.00 0.00 H new ATOM 0 HA HIS A 68 69.754 -5.428 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.713 -5.374 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.735 -4.352 -6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.051 -5.694 -9.025 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.642 -9.570 -8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.917 -8.189 -9.862 1.00 0.00 H new ATOM 1090 N LEU A 69 69.858 -3.255 -4.552 1.00 0.00 N ATOM 1091 CA LEU A 69 69.951 -1.976 -3.858 1.00 0.00 C ATOM 1092 C LEU A 69 69.698 -0.819 -4.822 1.00 0.00 C ATOM 1093 O LEU A 69 70.519 -0.537 -5.694 1.00 0.00 O ATOM 1094 CB LEU A 69 71.341 -1.839 -3.224 1.00 0.00 C ATOM 1095 CG LEU A 69 71.556 -0.412 -2.703 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.368 0.010 -1.834 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.835 -0.368 -1.862 1.00 0.00 C ATOM 0 H LEU A 69 70.703 -3.529 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 69 69.190 -1.942 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.445 -2.551 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.108 -2.084 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 69 71.644 0.269 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.527 1.024 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.454 -0.022 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.276 -0.671 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.991 0.645 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.740 -1.053 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.685 -0.664 -2.477 1.00 0.00 H new ATOM 1109 N VAL A 70 68.560 -0.155 -4.648 1.00 0.00 N ATOM 1110 CA VAL A 70 68.197 0.977 -5.497 1.00 0.00 C ATOM 1111 C VAL A 70 68.130 2.258 -4.672 1.00 0.00 C ATOM 1112 O VAL A 70 67.736 2.234 -3.505 1.00 0.00 O ATOM 1113 CB VAL A 70 66.841 0.722 -6.160 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.755 1.510 -7.467 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.690 -0.771 -6.456 1.00 0.00 C ATOM 0 H VAL A 70 67.873 -0.380 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 70 68.959 1.091 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 70 66.044 1.043 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.789 1.328 -7.939 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.862 2.574 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.552 1.190 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.724 -0.953 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.488 -1.092 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.750 -1.334 -5.525 1.00 0.00 H new ATOM 1125 N LEU A 71 68.518 3.372 -5.281 1.00 0.00 N ATOM 1126 CA LEU A 71 68.497 4.654 -4.588 1.00 0.00 C ATOM 1127 C LEU A 71 67.254 5.450 -4.973 1.00 0.00 C ATOM 1128 O LEU A 71 67.017 5.717 -6.151 1.00 0.00 O ATOM 1129 CB LEU A 71 69.750 5.459 -4.941 1.00 0.00 C ATOM 1130 CG LEU A 71 70.964 4.531 -4.960 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.231 5.350 -5.209 1.00 0.00 C ATOM 1132 CD2 LEU A 71 71.079 3.816 -3.611 1.00 0.00 C ATOM 0 H LEU A 71 68.848 3.414 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 71 68.477 4.466 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.627 5.935 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.900 6.256 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 71 70.845 3.795 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.096 4.687 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.151 5.861 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.350 6.086 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.945 3.154 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.197 4.554 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.177 3.231 -3.431 1.00 0.00 H new