USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=17 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 25 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.124) USER MOD Set 2.1: A 7 THR OG1 : rot -160:sc= 0.214 USER MOD Set 2.2: A 9 THR OG1 : rot -62:sc= 0.0362 USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -1.07 (180deg=-1.77) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= -2.87 (180deg=-3.69!) USER MOD Single : A 31 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00189) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -5.79 K(o=-5.8,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc= 0.0158 (180deg=-0.673!) USER MOD Single : A 49 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.24) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.75!) USER MOD Single : A 62 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= -0.403 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.00397 X(o=0.004,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.255 -12.628 2.581 1.00 0.00 N ATOM 38 CA ILE A 3 74.326 -12.434 1.468 1.00 0.00 C ATOM 39 C ILE A 3 74.931 -11.465 0.456 1.00 0.00 C ATOM 40 O ILE A 3 75.992 -10.889 0.701 1.00 0.00 O ATOM 41 CB ILE A 3 73.006 -11.848 1.978 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.285 -10.648 2.885 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.236 -12.904 2.768 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.112 -9.674 2.799 1.00 0.00 C ATOM 0 HA ILE A 3 74.141 -13.400 0.998 1.00 0.00 H new ATOM 0 HB ILE A 3 72.411 -11.529 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.425 -10.979 3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.208 -10.153 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.299 -12.478 3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.024 -13.757 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.835 -13.231 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.304 -8.816 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.995 -9.336 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.199 -10.174 3.123 1.00 0.00 H new ATOM 56 N PHE A 4 74.266 -11.305 -0.684 1.00 0.00 N ATOM 57 CA PHE A 4 74.763 -10.420 -1.735 1.00 0.00 C ATOM 58 C PHE A 4 73.786 -9.282 -2.020 1.00 0.00 C ATOM 59 O PHE A 4 72.577 -9.491 -2.074 1.00 0.00 O ATOM 60 CB PHE A 4 74.974 -11.227 -3.015 1.00 0.00 C ATOM 61 CG PHE A 4 76.036 -12.276 -2.783 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.663 -13.608 -2.572 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.390 -11.917 -2.775 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.642 -14.583 -2.353 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.370 -12.893 -2.557 1.00 0.00 C ATOM 66 CZ PHE A 4 77.997 -14.226 -2.346 1.00 0.00 C ATOM 0 H PHE A 4 73.387 -11.773 -0.904 1.00 0.00 H new ATOM 0 HA PHE A 4 75.703 -9.986 -1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.040 -11.701 -3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.273 -10.566 -3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.619 -13.884 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.678 -10.889 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.353 -15.611 -2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.414 -12.617 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.753 -14.979 -2.178 1.00 0.00 H new ATOM 76 N VAL A 5 74.328 -8.083 -2.221 1.00 0.00 N ATOM 77 CA VAL A 5 73.506 -6.914 -2.529 1.00 0.00 C ATOM 78 C VAL A 5 74.001 -6.265 -3.818 1.00 0.00 C ATOM 79 O VAL A 5 75.121 -5.765 -3.876 1.00 0.00 O ATOM 80 CB VAL A 5 73.560 -5.904 -1.379 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.981 -4.566 -1.848 1.00 0.00 C ATOM 82 CG2 VAL A 5 72.733 -6.432 -0.204 1.00 0.00 C ATOM 0 H VAL A 5 75.330 -7.895 -2.176 1.00 0.00 H new ATOM 0 HA VAL A 5 72.472 -7.234 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 5 74.594 -5.762 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 5 73.019 -3.846 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.565 -4.191 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.946 -4.707 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 5 72.769 -5.716 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 5 71.699 -6.570 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.142 -7.386 0.129 1.00 0.00 H new ATOM 92 N LYS A 6 73.171 -6.284 -4.855 1.00 0.00 N ATOM 93 CA LYS A 6 73.559 -5.699 -6.136 1.00 0.00 C ATOM 94 C LYS A 6 72.997 -4.290 -6.287 1.00 0.00 C ATOM 95 O LYS A 6 71.823 -4.044 -6.011 1.00 0.00 O ATOM 96 CB LYS A 6 73.059 -6.576 -7.283 1.00 0.00 C ATOM 97 CG LYS A 6 74.229 -7.371 -7.869 1.00 0.00 C ATOM 98 CD LYS A 6 73.686 -8.524 -8.709 1.00 0.00 C ATOM 99 CE LYS A 6 72.745 -7.977 -9.784 1.00 0.00 C ATOM 100 NZ LYS A 6 73.341 -6.752 -10.389 1.00 0.00 N ATOM 0 H LYS A 6 72.236 -6.692 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 6 74.647 -5.642 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.287 -7.257 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.604 -5.957 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.854 -6.722 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.860 -7.756 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 6 74.509 -9.068 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.155 -9.232 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.577 -8.731 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.773 -7.745 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.004 -6.649 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 73.058 -5.918 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 74.378 -6.833 -10.387 1.00 0.00 H new ATOM 114 N THR A 7 73.845 -3.367 -6.736 1.00 0.00 N ATOM 115 CA THR A 7 73.429 -1.983 -6.930 1.00 0.00 C ATOM 116 C THR A 7 73.227 -1.696 -8.416 1.00 0.00 C ATOM 117 O THR A 7 73.465 -2.558 -9.261 1.00 0.00 O ATOM 118 CB THR A 7 74.489 -1.030 -6.369 1.00 0.00 C ATOM 119 OG1 THR A 7 75.579 -0.957 -7.275 1.00 0.00 O ATOM 120 CG2 THR A 7 74.985 -1.543 -5.014 1.00 0.00 C ATOM 0 H THR A 7 74.820 -3.553 -6.971 1.00 0.00 H new ATOM 0 HA THR A 7 72.488 -1.828 -6.402 1.00 0.00 H new ATOM 0 HB THR A 7 74.052 -0.040 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.372 -0.624 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.739 -0.861 -4.620 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.148 -1.600 -4.318 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.422 -2.534 -5.138 1.00 0.00 H new ATOM 128 N LEU A 8 72.788 -0.480 -8.728 1.00 0.00 N ATOM 129 CA LEU A 8 72.564 -0.096 -10.118 1.00 0.00 C ATOM 130 C LEU A 8 73.893 0.056 -10.851 1.00 0.00 C ATOM 131 O LEU A 8 73.926 0.212 -12.071 1.00 0.00 O ATOM 132 CB LEU A 8 71.793 1.226 -10.179 1.00 0.00 C ATOM 133 CG LEU A 8 70.325 0.978 -9.830 1.00 0.00 C ATOM 134 CD1 LEU A 8 69.735 2.233 -9.182 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.546 0.650 -11.105 1.00 0.00 C ATOM 0 H LEU A 8 72.582 0.249 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 8 71.980 -0.879 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.227 1.944 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.872 1.660 -11.176 1.00 0.00 H new ATOM 0 HG LEU A 8 70.254 0.142 -9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.689 2.056 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.289 2.468 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.806 3.069 -9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.500 0.473 -10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.618 1.486 -11.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.965 -0.244 -11.568 1.00 0.00 H new ATOM 147 N THR A 9 74.986 0.009 -10.097 1.00 0.00 N ATOM 148 CA THR A 9 76.314 0.142 -10.685 1.00 0.00 C ATOM 149 C THR A 9 76.889 -1.228 -11.028 1.00 0.00 C ATOM 150 O THR A 9 77.981 -1.331 -11.587 1.00 0.00 O ATOM 151 CB THR A 9 77.247 0.862 -9.709 1.00 0.00 C ATOM 152 OG1 THR A 9 77.912 -0.098 -8.899 1.00 0.00 O ATOM 153 CG2 THR A 9 76.429 1.803 -8.821 1.00 0.00 C ATOM 0 H THR A 9 74.980 -0.119 -9.085 1.00 0.00 H new ATOM 0 HA THR A 9 76.228 0.725 -11.602 1.00 0.00 H new ATOM 0 HB THR A 9 77.983 1.441 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.253 -0.590 -8.366 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.093 2.316 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 9 75.918 2.537 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.693 1.226 -8.261 1.00 0.00 H new ATOM 161 N GLY A 10 76.147 -2.278 -10.689 1.00 0.00 N ATOM 162 CA GLY A 10 76.594 -3.638 -10.967 1.00 0.00 C ATOM 163 C GLY A 10 77.519 -4.144 -9.867 1.00 0.00 C ATOM 164 O GLY A 10 78.048 -5.253 -9.948 1.00 0.00 O ATOM 0 H GLY A 10 75.241 -2.214 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.731 -4.298 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.113 -3.665 -11.925 1.00 0.00 H new ATOM 168 N LYS A 11 77.711 -3.327 -8.837 1.00 0.00 N ATOM 169 CA LYS A 11 78.577 -3.706 -7.726 1.00 0.00 C ATOM 170 C LYS A 11 77.828 -4.602 -6.745 1.00 0.00 C ATOM 171 O LYS A 11 76.724 -4.277 -6.310 1.00 0.00 O ATOM 172 CB LYS A 11 79.076 -2.455 -7.001 1.00 0.00 C ATOM 173 CG LYS A 11 80.241 -2.828 -6.081 1.00 0.00 C ATOM 174 CD LYS A 11 80.817 -1.562 -5.444 1.00 0.00 C ATOM 175 CE LYS A 11 82.152 -1.889 -4.772 1.00 0.00 C ATOM 176 NZ LYS A 11 83.243 -1.842 -5.787 1.00 0.00 N ATOM 0 H LYS A 11 77.283 -2.406 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 11 79.429 -4.257 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.396 -1.706 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.267 -2.012 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.900 -3.515 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.014 -3.346 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.959 -0.793 -6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.117 -1.161 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.353 -1.176 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.109 -2.877 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.151 -2.064 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.051 -2.539 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.289 -0.890 -6.204 1.00 0.00 H new ATOM 190 N THR A 12 78.439 -5.732 -6.402 1.00 0.00 N ATOM 191 CA THR A 12 77.823 -6.672 -5.473 1.00 0.00 C ATOM 192 C THR A 12 78.470 -6.562 -4.094 1.00 0.00 C ATOM 193 O THR A 12 79.643 -6.897 -3.924 1.00 0.00 O ATOM 194 CB THR A 12 77.983 -8.101 -5.998 1.00 0.00 C ATOM 195 OG1 THR A 12 77.622 -8.142 -7.373 1.00 0.00 O ATOM 196 CG2 THR A 12 77.078 -9.048 -5.204 1.00 0.00 C ATOM 0 H THR A 12 79.354 -6.017 -6.751 1.00 0.00 H new ATOM 0 HA THR A 12 76.764 -6.430 -5.387 1.00 0.00 H new ATOM 0 HB THR A 12 79.021 -8.414 -5.883 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.726 -9.056 -7.711 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.195 -10.064 -5.581 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.355 -9.018 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.039 -8.737 -5.315 1.00 0.00 H new ATOM 204 N ILE A 13 77.701 -6.097 -3.110 1.00 0.00 N ATOM 205 CA ILE A 13 78.226 -5.961 -1.755 1.00 0.00 C ATOM 206 C ILE A 13 77.936 -7.217 -0.942 1.00 0.00 C ATOM 207 O ILE A 13 76.790 -7.652 -0.843 1.00 0.00 O ATOM 208 CB ILE A 13 77.600 -4.753 -1.046 1.00 0.00 C ATOM 209 CG1 ILE A 13 76.981 -3.806 -2.076 1.00 0.00 C ATOM 210 CG2 ILE A 13 78.676 -4.007 -0.252 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.715 -2.447 -1.426 1.00 0.00 C ATOM 0 H ILE A 13 76.728 -5.813 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 13 79.304 -5.815 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 13 76.823 -5.104 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.652 -3.689 -2.927 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.051 -4.226 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.228 -3.149 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.110 -4.677 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.456 -3.663 -0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.274 -1.773 -2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.028 -2.572 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.654 -2.027 -1.065 1.00 0.00 H new ATOM 223 N THR A 14 78.983 -7.789 -0.358 1.00 0.00 N ATOM 224 CA THR A 14 78.832 -8.992 0.452 1.00 0.00 C ATOM 225 C THR A 14 78.934 -8.635 1.935 1.00 0.00 C ATOM 226 O THR A 14 79.876 -7.963 2.352 1.00 0.00 O ATOM 227 CB THR A 14 79.925 -9.998 0.086 1.00 0.00 C ATOM 228 OG1 THR A 14 80.275 -9.835 -1.282 1.00 0.00 O ATOM 229 CG2 THR A 14 79.419 -11.421 0.318 1.00 0.00 C ATOM 0 H THR A 14 79.939 -7.442 -0.429 1.00 0.00 H new ATOM 0 HA THR A 14 77.855 -9.435 0.258 1.00 0.00 H new ATOM 0 HB THR A 14 80.800 -9.824 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 14 80.976 -10.477 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.202 -12.133 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.152 -11.546 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.542 -11.601 -0.303 1.00 0.00 H new ATOM 237 N LEU A 15 77.958 -9.079 2.725 1.00 0.00 N ATOM 238 CA LEU A 15 77.957 -8.781 4.155 1.00 0.00 C ATOM 239 C LEU A 15 77.399 -9.953 4.958 1.00 0.00 C ATOM 240 O LEU A 15 76.690 -10.805 4.425 1.00 0.00 O ATOM 241 CB LEU A 15 77.097 -7.540 4.463 1.00 0.00 C ATOM 242 CG LEU A 15 77.110 -6.535 3.300 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.016 -5.491 3.531 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.469 -5.833 3.240 1.00 0.00 C ATOM 0 H LEU A 15 77.168 -9.639 2.404 1.00 0.00 H new ATOM 0 HA LEU A 15 78.993 -8.594 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.071 -7.849 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.468 -7.056 5.366 1.00 0.00 H new ATOM 0 HG LEU A 15 76.933 -7.061 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.018 -4.774 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.046 -5.985 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.203 -4.969 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.475 -5.121 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.647 -5.304 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.254 -6.573 3.086 1.00 0.00 H new ATOM 256 N GLU A 16 77.706 -9.968 6.253 1.00 0.00 N ATOM 257 CA GLU A 16 77.210 -11.017 7.139 1.00 0.00 C ATOM 258 C GLU A 16 75.943 -10.529 7.828 1.00 0.00 C ATOM 259 O GLU A 16 75.911 -9.419 8.363 1.00 0.00 O ATOM 260 CB GLU A 16 78.267 -11.366 8.190 1.00 0.00 C ATOM 261 CG GLU A 16 79.628 -11.535 7.513 1.00 0.00 C ATOM 262 CD GLU A 16 80.505 -10.319 7.788 1.00 0.00 C ATOM 263 OE1 GLU A 16 80.871 -10.125 8.936 1.00 0.00 O ATOM 264 OE2 GLU A 16 80.799 -9.600 6.847 1.00 0.00 O ATOM 0 H GLU A 16 78.293 -9.270 6.710 1.00 0.00 H new ATOM 0 HA GLU A 16 76.992 -11.910 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.319 -10.579 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 16 77.990 -12.285 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 16 80.117 -12.437 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 16 79.495 -11.662 6.439 1.00 0.00 H new ATOM 271 N VAL A 17 74.888 -11.336 7.790 1.00 0.00 N ATOM 272 CA VAL A 17 73.624 -10.929 8.394 1.00 0.00 C ATOM 273 C VAL A 17 72.904 -12.100 9.066 1.00 0.00 C ATOM 274 O VAL A 17 73.073 -13.256 8.677 1.00 0.00 O ATOM 275 CB VAL A 17 72.730 -10.321 7.312 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.556 -9.391 6.426 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.129 -11.437 6.453 1.00 0.00 C ATOM 0 H VAL A 17 74.881 -12.259 7.356 1.00 0.00 H new ATOM 0 HA VAL A 17 73.838 -10.194 9.170 1.00 0.00 H new ATOM 0 HB VAL A 17 71.928 -9.755 7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.917 -8.959 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.982 -8.593 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.360 -9.956 5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.493 -11.001 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.931 -12.005 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.535 -12.100 7.082 1.00 0.00 H new ATOM 287 N GLU A 18 72.092 -11.779 10.077 1.00 0.00 N ATOM 288 CA GLU A 18 71.330 -12.791 10.811 1.00 0.00 C ATOM 289 C GLU A 18 69.827 -12.559 10.601 1.00 0.00 C ATOM 290 O GLU A 18 69.443 -11.647 9.886 1.00 0.00 O ATOM 291 CB GLU A 18 71.661 -12.714 12.309 1.00 0.00 C ATOM 292 CG GLU A 18 73.011 -12.021 12.521 1.00 0.00 C ATOM 293 CD GLU A 18 74.081 -12.635 11.624 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.015 -13.829 11.375 1.00 0.00 O ATOM 295 OE2 GLU A 18 74.950 -11.896 11.192 1.00 0.00 O ATOM 0 H GLU A 18 71.946 -10.825 10.406 1.00 0.00 H new ATOM 0 HA GLU A 18 71.599 -13.779 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.878 -12.167 12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.689 -13.717 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.916 -10.957 12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.311 -12.110 13.565 1.00 0.00 H new ATOM 302 N PRO A 19 68.967 -13.350 11.196 1.00 0.00 N ATOM 303 CA PRO A 19 67.494 -13.172 11.036 1.00 0.00 C ATOM 304 C PRO A 19 66.962 -11.948 11.793 1.00 0.00 C ATOM 305 O PRO A 19 65.754 -11.731 11.850 1.00 0.00 O ATOM 306 CB PRO A 19 66.883 -14.461 11.604 1.00 0.00 C ATOM 307 CG PRO A 19 68.023 -15.349 12.001 1.00 0.00 C ATOM 308 CD PRO A 19 69.281 -14.486 12.068 1.00 0.00 C ATOM 0 HA PRO A 19 67.233 -12.999 9.992 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.248 -14.241 12.463 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.254 -14.950 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.827 -15.815 12.967 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.150 -16.155 11.278 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.491 -14.163 13.087 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.159 -15.029 11.718 1.00 0.00 H new ATOM 316 N SER A 20 67.870 -11.147 12.364 1.00 0.00 N ATOM 317 CA SER A 20 67.472 -9.939 13.102 1.00 0.00 C ATOM 318 C SER A 20 68.045 -8.706 12.404 1.00 0.00 C ATOM 319 O SER A 20 67.952 -7.576 12.886 1.00 0.00 O ATOM 320 CB SER A 20 67.976 -10.007 14.543 1.00 0.00 C ATOM 321 OG SER A 20 69.344 -10.396 14.545 1.00 0.00 O ATOM 0 H SER A 20 68.876 -11.310 12.331 1.00 0.00 H new ATOM 0 HA SER A 20 66.384 -9.873 13.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.861 -9.037 15.027 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.382 -10.720 15.115 1.00 0.00 H new ATOM 0 HG SER A 20 69.671 -10.439 15.468 1.00 0.00 H new ATOM 327 N ASP A 21 68.611 -8.978 11.250 1.00 0.00 N ATOM 328 CA ASP A 21 69.216 -7.990 10.361 1.00 0.00 C ATOM 329 C ASP A 21 68.140 -7.304 9.558 1.00 0.00 C ATOM 330 O ASP A 21 68.177 -7.279 8.327 1.00 0.00 O ATOM 331 CB ASP A 21 70.232 -8.617 9.440 1.00 0.00 C ATOM 332 CG ASP A 21 71.566 -8.766 10.160 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.582 -9.362 11.224 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.553 -8.261 9.647 1.00 0.00 O ATOM 0 H ASP A 21 68.669 -9.928 10.883 1.00 0.00 H new ATOM 0 HA ASP A 21 69.738 -7.257 10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.879 -9.593 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.357 -8.001 8.549 1.00 0.00 H new ATOM 339 N THR A 22 67.118 -6.870 10.248 1.00 0.00 N ATOM 340 CA THR A 22 65.959 -6.326 9.572 1.00 0.00 C ATOM 341 C THR A 22 66.315 -5.069 8.811 1.00 0.00 C ATOM 342 O THR A 22 67.207 -4.315 9.182 1.00 0.00 O ATOM 343 CB THR A 22 64.907 -5.933 10.607 1.00 0.00 C ATOM 344 OG1 THR A 22 64.969 -4.529 10.823 1.00 0.00 O ATOM 345 CG2 THR A 22 65.193 -6.656 11.918 1.00 0.00 C ATOM 0 H THR A 22 67.059 -6.880 11.266 1.00 0.00 H new ATOM 0 HA THR A 22 65.588 -7.088 8.887 1.00 0.00 H new ATOM 0 HB THR A 22 63.916 -6.209 10.247 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.295 -4.270 11.485 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.443 -6.377 12.658 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.158 -7.733 11.755 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.182 -6.376 12.280 1.00 0.00 H new ATOM 353 N ILE A 23 65.618 -4.917 7.692 1.00 0.00 N ATOM 354 CA ILE A 23 65.821 -3.817 6.766 1.00 0.00 C ATOM 355 C ILE A 23 66.281 -2.554 7.489 1.00 0.00 C ATOM 356 O ILE A 23 67.028 -1.751 6.932 1.00 0.00 O ATOM 357 CB ILE A 23 64.526 -3.574 5.989 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.353 -4.669 4.922 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.588 -2.216 5.293 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.252 -6.057 5.573 1.00 0.00 C ATOM 0 H ILE A 23 64.886 -5.565 7.401 1.00 0.00 H new ATOM 0 HA ILE A 23 66.614 -4.082 6.067 1.00 0.00 H new ATOM 0 HB ILE A 23 63.686 -3.594 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.456 -4.472 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.197 -4.647 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.663 -2.048 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.714 -1.431 6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.431 -2.199 4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.130 -6.814 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.161 -6.260 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.393 -6.083 6.244 1.00 0.00 H new ATOM 372 N GLU A 24 65.858 -2.394 8.738 1.00 0.00 N ATOM 373 CA GLU A 24 66.269 -1.236 9.522 1.00 0.00 C ATOM 374 C GLU A 24 67.753 -1.353 9.870 1.00 0.00 C ATOM 375 O GLU A 24 68.528 -0.420 9.664 1.00 0.00 O ATOM 376 CB GLU A 24 65.434 -1.146 10.802 1.00 0.00 C ATOM 377 CG GLU A 24 65.832 0.105 11.590 1.00 0.00 C ATOM 378 CD GLU A 24 64.704 0.503 12.535 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.010 1.458 12.228 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.550 -0.153 13.552 1.00 0.00 O ATOM 0 H GLU A 24 65.239 -3.042 9.224 1.00 0.00 H new ATOM 0 HA GLU A 24 66.109 -0.331 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.373 -1.109 10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.588 -2.036 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.743 -0.086 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A 24 66.050 0.924 10.904 1.00 0.00 H new ATOM 387 N ASN A 25 68.139 -2.519 10.385 1.00 0.00 N ATOM 388 CA ASN A 25 69.530 -2.777 10.747 1.00 0.00 C ATOM 389 C ASN A 25 70.394 -2.917 9.498 1.00 0.00 C ATOM 390 O ASN A 25 71.496 -2.373 9.429 1.00 0.00 O ATOM 391 CB ASN A 25 69.626 -4.068 11.568 1.00 0.00 C ATOM 392 CG ASN A 25 70.735 -3.938 12.607 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.808 -4.522 12.449 1.00 0.00 O ATOM 394 ND2 ASN A 25 70.544 -3.195 13.662 1.00 0.00 N ATOM 0 H ASN A 25 67.507 -3.300 10.561 1.00 0.00 H new ATOM 0 HA ASN A 25 69.890 -1.935 11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.675 -4.268 12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.828 -4.914 10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 25 71.284 -3.097 14.357 1.00 0.00 H new ATOM 0 HD22 ASN A 25 69.655 -2.712 13.791 1.00 0.00 H new ATOM 401 N ALA A 26 69.888 -3.655 8.513 1.00 0.00 N ATOM 402 CA ALA A 26 70.624 -3.868 7.271 1.00 0.00 C ATOM 403 C ALA A 26 70.938 -2.537 6.598 1.00 0.00 C ATOM 404 O ALA A 26 72.032 -2.341 6.067 1.00 0.00 O ATOM 405 CB ALA A 26 69.802 -4.741 6.321 1.00 0.00 C ATOM 0 H ALA A 26 68.977 -4.113 8.550 1.00 0.00 H new ATOM 0 HA ALA A 26 71.561 -4.371 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.358 -4.896 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.605 -5.704 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.857 -4.246 6.098 1.00 0.00 H new ATOM 411 N LYS A 27 69.974 -1.626 6.624 1.00 0.00 N ATOM 412 CA LYS A 27 70.158 -0.316 6.014 1.00 0.00 C ATOM 413 C LYS A 27 71.320 0.419 6.673 1.00 0.00 C ATOM 414 O LYS A 27 72.023 1.198 6.029 1.00 0.00 O ATOM 415 CB LYS A 27 68.879 0.512 6.162 1.00 0.00 C ATOM 416 CG LYS A 27 67.937 0.215 4.992 1.00 0.00 C ATOM 417 CD LYS A 27 66.555 0.799 5.291 1.00 0.00 C ATOM 418 CE LYS A 27 65.649 0.631 4.069 1.00 0.00 C ATOM 419 NZ LYS A 27 66.277 -0.324 3.112 1.00 0.00 N ATOM 0 H LYS A 27 69.062 -1.769 7.058 1.00 0.00 H new ATOM 0 HA LYS A 27 70.381 -0.454 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.388 0.276 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.122 1.574 6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.334 0.645 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.863 -0.861 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.116 0.297 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.643 1.855 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.670 0.263 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.490 1.595 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.583 -0.596 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 67.095 0.129 2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.592 -1.172 3.625 1.00 0.00 H new ATOM 433 N ALA A 28 71.516 0.164 7.965 1.00 0.00 N ATOM 434 CA ALA A 28 72.595 0.807 8.707 1.00 0.00 C ATOM 435 C ALA A 28 73.952 0.275 8.258 1.00 0.00 C ATOM 436 O ALA A 28 74.929 1.020 8.187 1.00 0.00 O ATOM 437 CB ALA A 28 72.417 0.555 10.205 1.00 0.00 C ATOM 0 H ALA A 28 70.946 -0.478 8.515 1.00 0.00 H new ATOM 0 HA ALA A 28 72.557 1.878 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.226 1.038 10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.461 0.965 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.437 -0.518 10.398 1.00 0.00 H new ATOM 443 N LYS A 29 74.008 -1.020 7.955 1.00 0.00 N ATOM 444 CA LYS A 29 75.253 -1.638 7.516 1.00 0.00 C ATOM 445 C LYS A 29 75.683 -1.085 6.160 1.00 0.00 C ATOM 446 O LYS A 29 76.858 -0.789 5.945 1.00 0.00 O ATOM 447 CB LYS A 29 75.075 -3.155 7.413 1.00 0.00 C ATOM 448 CG LYS A 29 75.214 -3.784 8.801 1.00 0.00 C ATOM 449 CD LYS A 29 75.048 -5.302 8.693 1.00 0.00 C ATOM 450 CE LYS A 29 75.382 -5.950 10.037 1.00 0.00 C ATOM 451 NZ LYS A 29 74.339 -5.588 11.037 1.00 0.00 N ATOM 0 H LYS A 29 73.212 -1.656 8.005 1.00 0.00 H new ATOM 0 HA LYS A 29 76.025 -1.409 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.097 -3.389 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.820 -3.574 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.189 -3.543 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.463 -3.372 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.026 -5.547 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.703 -5.695 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.435 -7.033 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.361 -5.616 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.459 -6.171 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.433 -4.583 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 73.396 -5.757 10.632 1.00 0.00 H new ATOM 465 N ILE A 30 74.723 -0.948 5.252 1.00 0.00 N ATOM 466 CA ILE A 30 75.015 -0.430 3.920 1.00 0.00 C ATOM 467 C ILE A 30 75.427 1.036 3.996 1.00 0.00 C ATOM 468 O ILE A 30 76.299 1.486 3.253 1.00 0.00 O ATOM 469 CB ILE A 30 73.786 -0.583 3.022 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.794 -1.986 2.411 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.823 0.460 1.900 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.384 -2.352 1.952 1.00 0.00 C ATOM 0 H ILE A 30 73.744 -1.186 5.411 1.00 0.00 H new ATOM 0 HA ILE A 30 75.841 -1.001 3.496 1.00 0.00 H new ATOM 0 HB ILE A 30 72.882 -0.435 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.483 -2.022 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.149 -2.711 3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 30 72.944 0.343 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.828 1.460 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.723 0.319 1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.391 -3.351 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.707 -2.333 2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.047 -1.634 1.205 1.00 0.00 H new ATOM 484 N GLN A 31 74.791 1.777 4.898 1.00 0.00 N ATOM 485 CA GLN A 31 75.096 3.192 5.062 1.00 0.00 C ATOM 486 C GLN A 31 76.576 3.390 5.372 1.00 0.00 C ATOM 487 O GLN A 31 77.234 4.241 4.777 1.00 0.00 O ATOM 488 CB GLN A 31 74.249 3.776 6.197 1.00 0.00 C ATOM 489 CG GLN A 31 74.909 5.048 6.736 1.00 0.00 C ATOM 490 CD GLN A 31 73.892 5.873 7.515 1.00 0.00 C ATOM 491 OE1 GLN A 31 73.731 7.067 7.259 1.00 0.00 O ATOM 492 NE2 GLN A 31 73.193 5.308 8.460 1.00 0.00 N ATOM 0 H GLN A 31 74.066 1.423 5.522 1.00 0.00 H new ATOM 0 HA GLN A 31 74.863 3.708 4.130 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.246 4.001 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.142 3.044 6.997 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.748 4.787 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 31 75.312 5.636 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.327 4.319 8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 31 72.513 5.855 8.988 1.00 0.00 H new ATOM 501 N ASP A 32 77.094 2.606 6.311 1.00 0.00 N ATOM 502 CA ASP A 32 78.498 2.716 6.695 1.00 0.00 C ATOM 503 C ASP A 32 79.416 2.252 5.566 1.00 0.00 C ATOM 504 O ASP A 32 80.614 2.535 5.578 1.00 0.00 O ATOM 505 CB ASP A 32 78.765 1.875 7.944 1.00 0.00 C ATOM 506 CG ASP A 32 80.267 1.662 8.110 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.770 0.692 7.569 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.893 2.480 8.766 1.00 0.00 O ATOM 0 H ASP A 32 76.569 1.893 6.817 1.00 0.00 H new ATOM 0 HA ASP A 32 78.708 3.765 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.359 2.374 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.259 0.913 7.862 1.00 0.00 H new ATOM 513 N LYS A 33 78.858 1.527 4.602 1.00 0.00 N ATOM 514 CA LYS A 33 79.655 1.022 3.488 1.00 0.00 C ATOM 515 C LYS A 33 79.629 1.982 2.300 1.00 0.00 C ATOM 516 O LYS A 33 80.658 2.218 1.666 1.00 0.00 O ATOM 517 CB LYS A 33 79.128 -0.345 3.048 1.00 0.00 C ATOM 518 CG LYS A 33 79.295 -1.349 4.190 1.00 0.00 C ATOM 519 CD LYS A 33 80.295 -2.431 3.776 1.00 0.00 C ATOM 520 CE LYS A 33 80.430 -3.458 4.902 1.00 0.00 C ATOM 521 NZ LYS A 33 81.317 -2.913 5.970 1.00 0.00 N ATOM 0 H LYS A 33 77.869 1.278 4.568 1.00 0.00 H new ATOM 0 HA LYS A 33 80.685 0.930 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.077 -0.268 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.669 -0.688 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.645 -0.840 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.334 -1.801 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 33 79.960 -2.920 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.265 -1.982 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 33 79.449 -3.692 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 80.842 -4.389 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 81.422 -3.618 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 82.251 -2.695 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 80.897 -2.045 6.361 1.00 0.00 H new ATOM 535 N GLU A 34 78.453 2.521 1.992 1.00 0.00 N ATOM 536 CA GLU A 34 78.319 3.438 0.862 1.00 0.00 C ATOM 537 C GLU A 34 78.223 4.889 1.330 1.00 0.00 C ATOM 538 O GLU A 34 78.535 5.812 0.577 1.00 0.00 O ATOM 539 CB GLU A 34 77.074 3.082 0.048 1.00 0.00 C ATOM 540 CG GLU A 34 77.221 1.668 -0.517 1.00 0.00 C ATOM 541 CD GLU A 34 77.140 1.703 -2.038 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.152 2.206 -2.548 1.00 0.00 O ATOM 543 OE2 GLU A 34 78.064 1.221 -2.673 1.00 0.00 O ATOM 0 H GLU A 34 77.588 2.342 2.502 1.00 0.00 H new ATOM 0 HA GLU A 34 79.209 3.336 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.186 3.143 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.940 3.797 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.174 1.240 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.437 1.025 -0.118 1.00 0.00 H new ATOM 550 N GLY A 35 77.788 5.090 2.568 1.00 0.00 N ATOM 551 CA GLY A 35 77.659 6.441 3.106 1.00 0.00 C ATOM 552 C GLY A 35 76.274 7.011 2.813 1.00 0.00 C ATOM 553 O GLY A 35 76.029 8.202 3.010 1.00 0.00 O ATOM 0 H GLY A 35 77.521 4.346 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.831 6.427 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.422 7.085 2.670 1.00 0.00 H new ATOM 557 N ILE A 36 75.373 6.155 2.340 1.00 0.00 N ATOM 558 CA ILE A 36 74.017 6.587 2.020 1.00 0.00 C ATOM 559 C ILE A 36 73.130 6.533 3.274 1.00 0.00 C ATOM 560 O ILE A 36 73.143 5.530 3.989 1.00 0.00 O ATOM 561 CB ILE A 36 73.426 5.674 0.942 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.399 5.582 -0.238 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.092 6.245 0.454 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.860 4.587 -1.266 1.00 0.00 C ATOM 0 H ILE A 36 75.555 5.166 2.171 1.00 0.00 H new ATOM 0 HA ILE A 36 74.054 7.613 1.654 1.00 0.00 H new ATOM 0 HB ILE A 36 73.263 4.682 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.525 6.563 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.382 5.265 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.675 5.592 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.397 6.311 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.253 7.239 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.552 4.521 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.757 3.606 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 36 72.887 4.924 -1.623 1.00 0.00 H new ATOM 576 N PRO A 37 72.361 7.564 3.566 1.00 0.00 N ATOM 577 CA PRO A 37 71.473 7.569 4.765 1.00 0.00 C ATOM 578 C PRO A 37 70.236 6.678 4.565 1.00 0.00 C ATOM 579 O PRO A 37 69.677 6.642 3.470 1.00 0.00 O ATOM 580 CB PRO A 37 71.060 9.036 4.903 1.00 0.00 C ATOM 581 CG PRO A 37 71.138 9.594 3.522 1.00 0.00 C ATOM 582 CD PRO A 37 72.246 8.825 2.806 1.00 0.00 C ATOM 0 HA PRO A 37 71.975 7.175 5.649 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.052 9.125 5.308 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.724 9.570 5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.187 9.478 3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.360 10.661 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 37 71.992 8.639 1.762 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.184 9.380 2.812 1.00 0.00 H new ATOM 590 N PRO A 38 69.792 5.966 5.581 1.00 0.00 N ATOM 591 CA PRO A 38 68.596 5.083 5.466 1.00 0.00 C ATOM 592 C PRO A 38 67.456 5.743 4.688 1.00 0.00 C ATOM 593 O PRO A 38 66.520 5.071 4.257 1.00 0.00 O ATOM 594 CB PRO A 38 68.182 4.839 6.917 1.00 0.00 C ATOM 595 CG PRO A 38 69.424 5.005 7.729 1.00 0.00 C ATOM 596 CD PRO A 38 70.370 5.913 6.939 1.00 0.00 C ATOM 0 HA PRO A 38 68.822 4.168 4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.414 5.547 7.229 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.764 3.840 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.192 5.444 8.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.890 4.038 7.919 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.428 6.907 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.383 5.511 6.923 1.00 0.00 H new ATOM 604 N ASP A 39 67.538 7.059 4.526 1.00 0.00 N ATOM 605 CA ASP A 39 66.500 7.799 3.813 1.00 0.00 C ATOM 606 C ASP A 39 66.627 7.616 2.303 1.00 0.00 C ATOM 607 O ASP A 39 65.627 7.633 1.583 1.00 0.00 O ATOM 608 CB ASP A 39 66.596 9.286 4.158 1.00 0.00 C ATOM 609 CG ASP A 39 66.561 9.469 5.671 1.00 0.00 C ATOM 610 OD1 ASP A 39 66.937 10.537 6.128 1.00 0.00 O ATOM 611 OD2 ASP A 39 66.160 8.540 6.351 1.00 0.00 O ATOM 0 H ASP A 39 68.306 7.633 4.875 1.00 0.00 H new ATOM 0 HA ASP A 39 65.531 7.408 4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.518 9.704 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.771 9.829 3.698 1.00 0.00 H new ATOM 616 N GLN A 40 67.856 7.451 1.825 1.00 0.00 N ATOM 617 CA GLN A 40 68.092 7.276 0.395 1.00 0.00 C ATOM 618 C GLN A 40 68.379 5.815 0.066 1.00 0.00 C ATOM 619 O GLN A 40 68.779 5.489 -1.052 1.00 0.00 O ATOM 620 CB GLN A 40 69.273 8.140 -0.047 1.00 0.00 C ATOM 621 CG GLN A 40 68.756 9.391 -0.760 1.00 0.00 C ATOM 622 CD GLN A 40 69.915 10.340 -1.048 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.523 10.275 -2.116 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.266 11.217 -0.147 1.00 0.00 N ATOM 0 H GLN A 40 68.698 7.435 2.401 1.00 0.00 H new ATOM 0 HA GLN A 40 67.193 7.583 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.873 8.424 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.923 7.572 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 40 68.263 9.112 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 40 68.010 9.891 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.761 11.269 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.045 11.850 -0.328 1.00 0.00 H new ATOM 633 N GLN A 41 68.174 4.938 1.043 1.00 0.00 N ATOM 634 CA GLN A 41 68.416 3.516 0.838 1.00 0.00 C ATOM 635 C GLN A 41 67.110 2.786 0.543 1.00 0.00 C ATOM 636 O GLN A 41 66.135 2.914 1.283 1.00 0.00 O ATOM 637 CB GLN A 41 69.067 2.912 2.082 1.00 0.00 C ATOM 638 CG GLN A 41 70.460 3.513 2.274 1.00 0.00 C ATOM 639 CD GLN A 41 71.111 2.925 3.521 1.00 0.00 C ATOM 640 OE1 GLN A 41 70.429 2.336 4.360 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.399 3.047 3.694 1.00 0.00 N ATOM 0 H GLN A 41 67.844 5.184 1.976 1.00 0.00 H new ATOM 0 HA GLN A 41 69.085 3.402 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.451 3.109 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.138 1.829 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 41 71.078 3.308 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.388 4.597 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 41 72.963 3.535 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 41 72.841 2.654 4.525 1.00 0.00 H new ATOM 650 N ARG A 42 67.103 2.019 -0.543 1.00 0.00 N ATOM 651 CA ARG A 42 65.917 1.266 -0.933 1.00 0.00 C ATOM 652 C ARG A 42 66.287 -0.178 -1.252 1.00 0.00 C ATOM 653 O ARG A 42 67.030 -0.443 -2.198 1.00 0.00 O ATOM 654 CB ARG A 42 65.270 1.912 -2.158 1.00 0.00 C ATOM 655 CG ARG A 42 63.759 2.009 -1.946 1.00 0.00 C ATOM 656 CD ARG A 42 63.079 2.330 -3.276 1.00 0.00 C ATOM 657 NE ARG A 42 61.924 3.194 -3.057 1.00 0.00 N ATOM 658 CZ ARG A 42 61.324 3.809 -4.069 1.00 0.00 C ATOM 659 NH1 ARG A 42 60.292 4.577 -3.847 1.00 0.00 N ATOM 660 NH2 ARG A 42 61.765 3.646 -5.286 1.00 0.00 N ATOM 0 H ARG A 42 67.902 1.903 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 42 65.210 1.275 -0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.689 2.905 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.486 1.323 -3.049 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.376 1.070 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.533 2.783 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.786 2.819 -3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.765 1.407 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 42 61.571 3.328 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.947 4.705 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.831 5.049 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 42 62.571 3.046 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 42 61.304 4.119 -6.063 1.00 0.00 H new ATOM 674 N LEU A 43 65.768 -1.108 -0.457 1.00 0.00 N ATOM 675 CA LEU A 43 66.057 -2.522 -0.667 1.00 0.00 C ATOM 676 C LEU A 43 64.901 -3.206 -1.386 1.00 0.00 C ATOM 677 O LEU A 43 63.743 -3.070 -0.994 1.00 0.00 O ATOM 678 CB LEU A 43 66.305 -3.213 0.677 1.00 0.00 C ATOM 679 CG LEU A 43 67.709 -2.874 1.192 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.860 -3.384 2.625 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.777 -3.532 0.307 1.00 0.00 C ATOM 0 H LEU A 43 65.151 -0.911 0.331 1.00 0.00 H new ATOM 0 HA LEU A 43 66.951 -2.600 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.556 -2.894 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.201 -4.292 0.565 1.00 0.00 H new ATOM 0 HG LEU A 43 67.842 -1.793 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.857 -3.144 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.114 -2.908 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.716 -4.464 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.768 -3.282 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.645 -4.614 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.677 -3.168 -0.716 1.00 0.00 H new ATOM 693 N ILE A 44 65.228 -3.942 -2.443 1.00 0.00 N ATOM 694 CA ILE A 44 64.220 -4.648 -3.222 1.00 0.00 C ATOM 695 C ILE A 44 64.662 -6.087 -3.478 1.00 0.00 C ATOM 696 O ILE A 44 65.723 -6.328 -4.050 1.00 0.00 O ATOM 697 CB ILE A 44 63.997 -3.921 -4.548 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.704 -2.445 -4.235 1.00 0.00 C ATOM 699 CG2 ILE A 44 62.820 -4.561 -5.302 1.00 0.00 C ATOM 700 CD1 ILE A 44 62.708 -1.866 -5.234 1.00 0.00 C ATOM 0 H ILE A 44 66.183 -4.064 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 44 63.285 -4.668 -2.662 1.00 0.00 H new ATOM 0 HB ILE A 44 64.881 -3.996 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 44 63.306 -2.355 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 44 64.631 -1.872 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 44 62.666 -4.039 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 44 63.042 -5.610 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.917 -4.489 -4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.516 -0.821 -4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.120 -1.936 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.775 -2.427 -5.184 1.00 0.00 H new ATOM 712 N PHE A 45 63.841 -7.040 -3.050 1.00 0.00 N ATOM 713 CA PHE A 45 64.158 -8.450 -3.239 1.00 0.00 C ATOM 714 C PHE A 45 63.360 -9.023 -4.399 1.00 0.00 C ATOM 715 O PHE A 45 63.623 -8.718 -5.563 1.00 0.00 O ATOM 716 CB PHE A 45 63.853 -9.232 -1.957 1.00 0.00 C ATOM 717 CG PHE A 45 64.088 -10.712 -2.184 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.029 -11.617 -2.052 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.366 -11.175 -2.521 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.246 -12.985 -2.256 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.584 -12.541 -2.725 1.00 0.00 C ATOM 722 CZ PHE A 45 64.525 -13.448 -2.594 1.00 0.00 C ATOM 0 H PHE A 45 62.957 -6.863 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 45 65.220 -8.540 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.486 -8.875 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 45 62.820 -9.062 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.043 -11.260 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.184 -10.477 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.428 -13.683 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.570 -12.897 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.694 -14.503 -2.753 1.00 0.00 H new ATOM 732 N ALA A 46 62.390 -9.852 -4.068 1.00 0.00 N ATOM 733 CA ALA A 46 61.545 -10.480 -5.080 1.00 0.00 C ATOM 734 C ALA A 46 60.758 -9.426 -5.857 1.00 0.00 C ATOM 735 O ALA A 46 59.538 -9.329 -5.729 1.00 0.00 O ATOM 736 CB ALA A 46 60.575 -11.457 -4.413 1.00 0.00 C ATOM 0 H ALA A 46 62.163 -10.110 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 46 62.186 -11.021 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 46 59.947 -11.922 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.139 -12.227 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.947 -10.919 -3.703 1.00 0.00 H new ATOM 742 N GLY A 47 61.466 -8.642 -6.665 1.00 0.00 N ATOM 743 CA GLY A 47 60.826 -7.601 -7.463 1.00 0.00 C ATOM 744 C GLY A 47 59.831 -6.799 -6.629 1.00 0.00 C ATOM 745 O GLY A 47 58.949 -6.135 -7.174 1.00 0.00 O ATOM 0 H GLY A 47 62.477 -8.707 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.585 -6.933 -7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 60.312 -8.054 -8.311 1.00 0.00 H new ATOM 749 N LYS A 48 59.984 -6.864 -5.309 1.00 0.00 N ATOM 750 CA LYS A 48 59.096 -6.139 -4.406 1.00 0.00 C ATOM 751 C LYS A 48 59.902 -5.277 -3.439 1.00 0.00 C ATOM 752 O LYS A 48 61.023 -5.627 -3.070 1.00 0.00 O ATOM 753 CB LYS A 48 58.235 -7.122 -3.615 1.00 0.00 C ATOM 754 CG LYS A 48 59.139 -8.177 -2.988 1.00 0.00 C ATOM 755 CD LYS A 48 58.851 -8.278 -1.488 1.00 0.00 C ATOM 756 CE LYS A 48 57.406 -8.731 -1.274 1.00 0.00 C ATOM 757 NZ LYS A 48 57.392 -9.978 -0.458 1.00 0.00 N ATOM 0 H LYS A 48 60.710 -7.408 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 48 58.453 -5.493 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.677 -6.596 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 48 57.503 -7.594 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.973 -9.143 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 48 60.185 -7.917 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 48 59.537 -8.985 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 48 59.015 -7.312 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.839 -7.948 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 56.923 -8.907 -2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 56.475 -10.067 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 57.538 -10.800 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 58.153 -9.939 0.249 1.00 0.00 H new ATOM 771 N GLN A 49 59.325 -4.153 -3.030 1.00 0.00 N ATOM 772 CA GLN A 49 60.002 -3.253 -2.104 1.00 0.00 C ATOM 773 C GLN A 49 59.772 -3.701 -0.664 1.00 0.00 C ATOM 774 O GLN A 49 58.664 -4.093 -0.296 1.00 0.00 O ATOM 775 CB GLN A 49 59.484 -1.825 -2.286 1.00 0.00 C ATOM 776 CG GLN A 49 60.517 -0.834 -1.748 1.00 0.00 C ATOM 777 CD GLN A 49 60.007 0.593 -1.919 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.585 1.223 -0.949 1.00 0.00 O ATOM 779 NE2 GLN A 49 60.018 1.143 -3.102 1.00 0.00 N ATOM 0 H GLN A 49 58.398 -3.845 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 49 61.071 -3.278 -2.317 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.291 -1.629 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.537 -1.701 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.713 -1.036 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 49 61.462 -0.957 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.368 0.620 -3.905 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.677 2.096 -3.224 1.00 0.00 H new ATOM 788 N LEU A 50 60.825 -3.648 0.144 1.00 0.00 N ATOM 789 CA LEU A 50 60.725 -4.060 1.540 1.00 0.00 C ATOM 790 C LEU A 50 60.397 -2.873 2.439 1.00 0.00 C ATOM 791 O LEU A 50 60.704 -1.727 2.111 1.00 0.00 O ATOM 792 CB LEU A 50 62.043 -4.690 1.994 1.00 0.00 C ATOM 793 CG LEU A 50 62.583 -5.609 0.896 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.762 -6.416 1.443 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.480 -6.566 0.441 1.00 0.00 C ATOM 0 H LEU A 50 61.751 -3.327 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 50 59.920 -4.791 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.771 -3.910 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 61.889 -5.257 2.912 1.00 0.00 H new ATOM 0 HG LEU A 50 62.913 -5.007 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.148 -7.071 0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.549 -5.736 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.430 -7.017 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.866 -7.220 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.149 -7.168 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.638 -5.993 0.052 1.00 0.00 H new ATOM 807 N GLU A 51 59.773 -3.161 3.579 1.00 0.00 N ATOM 808 CA GLU A 51 59.405 -2.122 4.535 1.00 0.00 C ATOM 809 C GLU A 51 60.184 -2.291 5.833 1.00 0.00 C ATOM 810 O GLU A 51 60.616 -3.394 6.170 1.00 0.00 O ATOM 811 CB GLU A 51 57.904 -2.191 4.830 1.00 0.00 C ATOM 812 CG GLU A 51 57.116 -1.895 3.553 1.00 0.00 C ATOM 813 CD GLU A 51 55.885 -2.792 3.483 1.00 0.00 C ATOM 814 OE1 GLU A 51 54.832 -2.357 3.921 1.00 0.00 O ATOM 815 OE2 GLU A 51 56.013 -3.904 2.994 1.00 0.00 O ATOM 0 H GLU A 51 59.512 -4.106 3.862 1.00 0.00 H new ATOM 0 HA GLU A 51 59.647 -1.152 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.643 -3.179 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.642 -1.472 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 51 56.815 -0.848 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.747 -2.060 2.680 1.00 0.00 H new ATOM 822 N ASP A 52 60.360 -1.192 6.554 1.00 0.00 N ATOM 823 CA ASP A 52 61.088 -1.225 7.814 1.00 0.00 C ATOM 824 C ASP A 52 60.220 -1.825 8.918 1.00 0.00 C ATOM 825 O ASP A 52 59.176 -1.274 9.268 1.00 0.00 O ATOM 826 CB ASP A 52 61.506 0.193 8.205 1.00 0.00 C ATOM 827 CG ASP A 52 60.922 1.204 7.225 1.00 0.00 C ATOM 828 OD1 ASP A 52 59.960 1.859 7.586 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.449 1.310 6.130 1.00 0.00 O ATOM 0 H ASP A 52 60.010 -0.271 6.289 1.00 0.00 H new ATOM 0 HA ASP A 52 61.975 -1.846 7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.163 0.415 9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.593 0.270 8.213 1.00 0.00 H new ATOM 834 N GLY A 53 60.659 -2.956 9.459 1.00 0.00 N ATOM 835 CA GLY A 53 59.913 -3.625 10.521 1.00 0.00 C ATOM 836 C GLY A 53 59.973 -5.138 10.353 1.00 0.00 C ATOM 837 O GLY A 53 59.935 -5.884 11.332 1.00 0.00 O ATOM 0 H GLY A 53 61.521 -3.427 9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.323 -3.346 11.491 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.875 -3.294 10.507 1.00 0.00 H new ATOM 841 N ARG A 54 60.076 -5.583 9.105 1.00 0.00 N ATOM 842 CA ARG A 54 60.149 -7.008 8.812 1.00 0.00 C ATOM 843 C ARG A 54 61.604 -7.459 8.812 1.00 0.00 C ATOM 844 O ARG A 54 62.493 -6.688 8.448 1.00 0.00 O ATOM 845 CB ARG A 54 59.527 -7.298 7.444 1.00 0.00 C ATOM 846 CG ARG A 54 58.545 -6.184 7.068 1.00 0.00 C ATOM 847 CD ARG A 54 57.502 -6.020 8.177 1.00 0.00 C ATOM 848 NE ARG A 54 56.175 -5.838 7.599 1.00 0.00 N ATOM 849 CZ ARG A 54 55.110 -5.649 8.369 1.00 0.00 C ATOM 850 NH1 ARG A 54 53.935 -5.475 7.828 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.237 -5.635 9.668 1.00 0.00 N ATOM 0 H ARG A 54 60.111 -4.979 8.284 1.00 0.00 H new ATOM 0 HA ARG A 54 59.597 -7.553 9.578 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.309 -7.375 6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.010 -8.257 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.082 -5.247 6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.053 -6.423 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.507 -6.897 8.824 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.756 -5.163 8.801 1.00 0.00 H new ATOM 0 HE ARG A 54 56.063 -5.856 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.834 -5.484 6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.117 -5.330 8.420 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.155 -5.769 10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.418 -5.490 10.259 1.00 0.00 H new ATOM 865 N THR A 55 61.846 -8.701 9.228 1.00 0.00 N ATOM 866 CA THR A 55 63.209 -9.214 9.272 1.00 0.00 C ATOM 867 C THR A 55 63.506 -10.140 8.112 1.00 0.00 C ATOM 868 O THR A 55 62.608 -10.564 7.386 1.00 0.00 O ATOM 869 CB THR A 55 63.461 -9.936 10.591 1.00 0.00 C ATOM 870 OG1 THR A 55 62.713 -11.142 10.633 1.00 0.00 O ATOM 871 CG2 THR A 55 63.041 -9.020 11.728 1.00 0.00 C ATOM 0 H THR A 55 61.129 -9.359 9.534 1.00 0.00 H new ATOM 0 HA THR A 55 63.879 -8.358 9.192 1.00 0.00 H new ATOM 0 HB THR A 55 64.518 -10.184 10.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.881 -11.601 11.482 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.214 -9.520 12.681 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.625 -8.101 11.689 1.00 0.00 H new ATOM 0 HG23 THR A 55 61.982 -8.781 11.631 1.00 0.00 H new ATOM 879 N LEU A 56 64.789 -10.444 7.943 1.00 0.00 N ATOM 880 CA LEU A 56 65.212 -11.317 6.867 1.00 0.00 C ATOM 881 C LEU A 56 64.480 -12.649 6.977 1.00 0.00 C ATOM 882 O LEU A 56 64.151 -13.277 5.971 1.00 0.00 O ATOM 883 CB LEU A 56 66.727 -11.568 6.950 1.00 0.00 C ATOM 884 CG LEU A 56 67.516 -10.289 6.631 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.012 -10.584 6.736 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.211 -9.819 5.210 1.00 0.00 C ATOM 0 H LEU A 56 65.545 -10.099 8.535 1.00 0.00 H new ATOM 0 HA LEU A 56 64.979 -10.841 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 56 66.987 -11.920 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.007 -12.356 6.251 1.00 0.00 H new ATOM 0 HG LEU A 56 67.229 -9.512 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.578 -9.680 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.247 -10.917 7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.279 -11.366 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.777 -8.912 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.493 -10.597 4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.145 -9.612 5.116 1.00 0.00 H new ATOM 898 N SER A 57 64.231 -13.071 8.214 1.00 0.00 N ATOM 899 CA SER A 57 63.535 -14.330 8.457 1.00 0.00 C ATOM 900 C SER A 57 62.061 -14.219 8.077 1.00 0.00 C ATOM 901 O SER A 57 61.425 -15.212 7.724 1.00 0.00 O ATOM 902 CB SER A 57 63.653 -14.713 9.933 1.00 0.00 C ATOM 903 OG SER A 57 62.351 -14.850 10.487 1.00 0.00 O ATOM 0 H SER A 57 64.499 -12.564 9.057 1.00 0.00 H new ATOM 0 HA SER A 57 63.997 -15.100 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.205 -15.647 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.213 -13.951 10.475 1.00 0.00 H new ATOM 0 HG SER A 57 62.422 -15.097 11.433 1.00 0.00 H new ATOM 909 N ASP A 58 61.521 -13.008 8.160 1.00 0.00 N ATOM 910 CA ASP A 58 60.115 -12.783 7.832 1.00 0.00 C ATOM 911 C ASP A 58 59.897 -12.782 6.323 1.00 0.00 C ATOM 912 O ASP A 58 58.871 -13.257 5.836 1.00 0.00 O ATOM 913 CB ASP A 58 59.650 -11.448 8.414 1.00 0.00 C ATOM 914 CG ASP A 58 59.861 -11.436 9.924 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.024 -12.505 10.486 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.856 -10.358 10.495 1.00 0.00 O ATOM 0 H ASP A 58 62.029 -12.172 8.449 1.00 0.00 H new ATOM 0 HA ASP A 58 59.533 -13.596 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.204 -10.629 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.596 -11.289 8.184 1.00 0.00 H new ATOM 921 N TYR A 59 60.862 -12.244 5.585 1.00 0.00 N ATOM 922 CA TYR A 59 60.752 -12.190 4.132 1.00 0.00 C ATOM 923 C TYR A 59 61.240 -13.497 3.521 1.00 0.00 C ATOM 924 O TYR A 59 61.261 -13.657 2.302 1.00 0.00 O ATOM 925 CB TYR A 59 61.580 -11.026 3.582 1.00 0.00 C ATOM 926 CG TYR A 59 60.694 -9.817 3.382 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.651 -9.860 2.448 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.918 -8.653 4.127 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.835 -8.740 2.259 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.102 -7.532 3.938 1.00 0.00 C ATOM 931 CZ TYR A 59 59.061 -7.575 3.003 1.00 0.00 C ATOM 932 OH TYR A 59 58.254 -6.469 2.816 1.00 0.00 O ATOM 0 H TYR A 59 61.720 -11.843 5.964 1.00 0.00 H new ATOM 0 HA TYR A 59 59.705 -12.039 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.389 -10.785 4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.041 -11.311 2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.477 -10.758 1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.721 -8.620 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.030 -8.773 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.275 -6.634 4.513 1.00 0.00 H new ATOM 0 HH TYR A 59 58.381 -5.842 3.559 1.00 0.00 H new ATOM 942 N ASN A 60 61.630 -14.427 4.384 1.00 0.00 N ATOM 943 CA ASN A 60 62.116 -15.722 3.930 1.00 0.00 C ATOM 944 C ASN A 60 63.432 -15.567 3.174 1.00 0.00 C ATOM 945 O ASN A 60 63.811 -16.433 2.385 1.00 0.00 O ATOM 946 CB ASN A 60 61.077 -16.380 3.021 1.00 0.00 C ATOM 947 CG ASN A 60 61.284 -17.891 2.995 1.00 0.00 C ATOM 948 OD1 ASN A 60 62.418 -18.364 3.044 1.00 0.00 O ATOM 949 ND2 ASN A 60 60.247 -18.679 2.913 1.00 0.00 N ATOM 0 H ASN A 60 61.619 -14.309 5.397 1.00 0.00 H new ATOM 0 HA ASN A 60 62.285 -16.352 4.804 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.073 -16.149 3.377 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.158 -15.977 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 60 60.376 -19.691 2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 60 59.308 -18.283 2.873 1.00 0.00 H new ATOM 956 N ILE A 61 64.126 -14.461 3.421 1.00 0.00 N ATOM 957 CA ILE A 61 65.398 -14.209 2.757 1.00 0.00 C ATOM 958 C ILE A 61 66.447 -15.209 3.229 1.00 0.00 C ATOM 959 O ILE A 61 66.469 -15.594 4.399 1.00 0.00 O ATOM 960 CB ILE A 61 65.864 -12.778 3.036 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.124 -11.832 2.081 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.373 -12.670 2.796 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.178 -10.394 2.601 1.00 0.00 C ATOM 0 H ILE A 61 63.832 -13.731 4.070 1.00 0.00 H new ATOM 0 HA ILE A 61 65.262 -14.329 1.682 1.00 0.00 H new ATOM 0 HB ILE A 61 65.650 -12.511 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.573 -11.883 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.086 -12.149 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.701 -11.650 2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.897 -13.356 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.596 -12.927 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.648 -9.737 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.707 -10.344 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.217 -10.075 2.680 1.00 0.00 H new ATOM 975 N GLN A 62 67.310 -15.632 2.312 1.00 0.00 N ATOM 976 CA GLN A 62 68.349 -16.597 2.647 1.00 0.00 C ATOM 977 C GLN A 62 69.622 -15.886 3.084 1.00 0.00 C ATOM 978 O GLN A 62 69.709 -14.659 3.039 1.00 0.00 O ATOM 979 CB GLN A 62 68.648 -17.483 1.437 1.00 0.00 C ATOM 980 CG GLN A 62 67.501 -18.475 1.234 1.00 0.00 C ATOM 981 CD GLN A 62 67.740 -19.728 2.070 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.176 -19.636 3.218 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.479 -20.900 1.560 1.00 0.00 N ATOM 0 H GLN A 62 67.311 -15.325 1.339 1.00 0.00 H new ATOM 0 HA GLN A 62 67.991 -17.214 3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.773 -16.869 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.584 -18.020 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.555 -18.013 1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 62 67.422 -18.741 0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.118 -20.973 0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.636 -21.743 2.112 1.00 0.00 H new ATOM 992 N LYS A 63 70.604 -16.668 3.514 1.00 0.00 N ATOM 993 CA LYS A 63 71.871 -16.111 3.968 1.00 0.00 C ATOM 994 C LYS A 63 72.832 -15.932 2.809 1.00 0.00 C ATOM 995 O LYS A 63 73.924 -15.417 2.988 1.00 0.00 O ATOM 996 CB LYS A 63 72.502 -17.037 5.004 1.00 0.00 C ATOM 997 CG LYS A 63 72.633 -18.443 4.419 1.00 0.00 C ATOM 998 CD LYS A 63 71.880 -19.439 5.303 1.00 0.00 C ATOM 999 CE LYS A 63 72.134 -20.861 4.805 1.00 0.00 C ATOM 1000 NZ LYS A 63 73.259 -21.464 5.574 1.00 0.00 N ATOM 0 H LYS A 63 70.548 -17.686 3.558 1.00 0.00 H new ATOM 0 HA LYS A 63 71.672 -15.136 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.482 -16.660 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.890 -17.062 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.232 -18.465 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.684 -18.723 4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.207 -19.342 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.812 -19.222 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.234 -21.465 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.372 -20.848 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.432 -22.432 5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 74.117 -20.892 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.014 -21.490 6.584 1.00 0.00 H new ATOM 1014 N GLU A 64 72.413 -16.366 1.631 1.00 0.00 N ATOM 1015 CA GLU A 64 73.227 -16.254 0.435 1.00 0.00 C ATOM 1016 C GLU A 64 72.447 -15.555 -0.677 1.00 0.00 C ATOM 1017 O GLU A 64 72.968 -15.329 -1.769 1.00 0.00 O ATOM 1018 CB GLU A 64 73.667 -17.644 -0.022 1.00 0.00 C ATOM 1019 CG GLU A 64 75.077 -17.927 0.498 1.00 0.00 C ATOM 1020 CD GLU A 64 75.362 -19.426 0.461 1.00 0.00 C ATOM 1021 OE1 GLU A 64 74.824 -20.131 1.298 1.00 0.00 O ATOM 1022 OE2 GLU A 64 76.129 -19.842 -0.392 1.00 0.00 O ATOM 0 H GLU A 64 71.504 -16.803 1.479 1.00 0.00 H new ATOM 0 HA GLU A 64 74.110 -15.657 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.973 -18.398 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.650 -17.703 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.810 -17.395 -0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.178 -17.555 1.518 1.00 0.00 H new ATOM 1029 N SER A 65 71.187 -15.242 -0.395 1.00 0.00 N ATOM 1030 CA SER A 65 70.317 -14.594 -1.375 1.00 0.00 C ATOM 1031 C SER A 65 70.975 -13.365 -1.996 1.00 0.00 C ATOM 1032 O SER A 65 72.031 -12.914 -1.552 1.00 0.00 O ATOM 1033 CB SER A 65 69.007 -14.179 -0.709 1.00 0.00 C ATOM 1034 OG SER A 65 68.029 -15.186 -0.928 1.00 0.00 O ATOM 0 H SER A 65 70.743 -15.426 0.505 1.00 0.00 H new ATOM 0 HA SER A 65 70.126 -15.314 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.160 -14.031 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.664 -13.228 -1.116 1.00 0.00 H new ATOM 0 HG SER A 65 67.151 -14.857 -0.642 1.00 0.00 H new ATOM 1040 N THR A 66 70.324 -12.829 -3.027 1.00 0.00 N ATOM 1041 CA THR A 66 70.819 -11.645 -3.723 1.00 0.00 C ATOM 1042 C THR A 66 69.782 -10.525 -3.643 1.00 0.00 C ATOM 1043 O THR A 66 68.665 -10.669 -4.139 1.00 0.00 O ATOM 1044 CB THR A 66 71.093 -11.983 -5.190 1.00 0.00 C ATOM 1045 OG1 THR A 66 72.199 -12.872 -5.271 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.408 -10.702 -5.964 1.00 0.00 C ATOM 0 H THR A 66 69.449 -13.198 -3.399 1.00 0.00 H new ATOM 0 HA THR A 66 71.744 -11.315 -3.249 1.00 0.00 H new ATOM 0 HB THR A 66 70.212 -12.457 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.375 -13.091 -6.210 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.603 -10.946 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.559 -10.022 -5.903 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.288 -10.224 -5.533 1.00 0.00 H new ATOM 1054 N LEU A 67 70.153 -9.414 -3.013 1.00 0.00 N ATOM 1055 CA LEU A 67 69.240 -8.284 -2.870 1.00 0.00 C ATOM 1056 C LEU A 67 69.610 -7.166 -3.840 1.00 0.00 C ATOM 1057 O LEU A 67 70.759 -7.061 -4.267 1.00 0.00 O ATOM 1058 CB LEU A 67 69.300 -7.741 -1.438 1.00 0.00 C ATOM 1059 CG LEU A 67 68.442 -8.609 -0.514 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.148 -8.776 0.833 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.084 -7.936 -0.294 1.00 0.00 C ATOM 0 H LEU A 67 71.073 -9.272 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 67 68.231 -8.632 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.332 -7.731 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.946 -6.710 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 67 68.295 -9.587 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.536 -9.394 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.115 -9.255 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.296 -7.798 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.474 -8.555 0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.233 -6.957 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.578 -7.816 -1.252 1.00 0.00 H new ATOM 1073 N HIS A 68 68.629 -6.332 -4.176 1.00 0.00 N ATOM 1074 CA HIS A 68 68.861 -5.217 -5.088 1.00 0.00 C ATOM 1075 C HIS A 68 68.828 -3.898 -4.324 1.00 0.00 C ATOM 1076 O HIS A 68 67.827 -3.565 -3.689 1.00 0.00 O ATOM 1077 CB HIS A 68 67.796 -5.198 -6.182 1.00 0.00 C ATOM 1078 CG HIS A 68 67.872 -6.471 -6.970 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.156 -7.602 -6.612 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.578 -6.817 -8.097 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.444 -8.566 -7.506 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.305 -8.139 -8.432 1.00 0.00 N ATOM 0 H HIS A 68 67.672 -6.407 -3.832 1.00 0.00 H new ATOM 0 HA HIS A 68 69.842 -5.344 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.806 -5.089 -5.740 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.948 -4.341 -6.838 1.00 0.00 H new ATOM 0 HD1 HIS A 68 66.525 -7.688 -5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.243 -6.162 -8.640 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.029 -9.563 -7.478 1.00 0.00 H new ATOM 1090 N LEU A 69 69.927 -3.154 -4.382 1.00 0.00 N ATOM 1091 CA LEU A 69 70.007 -1.879 -3.682 1.00 0.00 C ATOM 1092 C LEU A 69 69.720 -0.725 -4.639 1.00 0.00 C ATOM 1093 O LEU A 69 70.533 -0.413 -5.510 1.00 0.00 O ATOM 1094 CB LEU A 69 71.402 -1.719 -3.068 1.00 0.00 C ATOM 1095 CG LEU A 69 71.600 -0.292 -2.541 1.00 0.00 C ATOM 1096 CD1 LEU A 69 70.413 0.108 -1.661 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.884 -0.237 -1.710 1.00 0.00 C ATOM 0 H LEU A 69 70.767 -3.409 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 69 69.259 -1.862 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.532 -2.434 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.162 -1.945 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 69 71.671 0.396 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.560 1.122 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.495 0.066 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 69 70.337 -0.579 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 69 73.030 0.775 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 72.805 -0.929 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 69 73.733 -0.518 -2.333 1.00 0.00 H new ATOM 1109 N VAL A 70 68.558 -0.100 -4.468 1.00 0.00 N ATOM 1110 CA VAL A 70 68.163 1.020 -5.316 1.00 0.00 C ATOM 1111 C VAL A 70 68.087 2.307 -4.501 1.00 0.00 C ATOM 1112 O VAL A 70 67.709 2.289 -3.330 1.00 0.00 O ATOM 1113 CB VAL A 70 66.802 0.736 -5.954 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.672 1.525 -7.258 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.683 -0.760 -6.250 1.00 0.00 C ATOM 0 H VAL A 70 67.876 -0.349 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 70 68.912 1.142 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 70 66.010 1.037 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.702 1.321 -7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.758 2.591 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 70 67.463 1.225 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.714 -0.965 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.476 -1.060 -6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.774 -1.323 -5.321 1.00 0.00 H new ATOM 1125 N LEU A 71 68.451 3.420 -5.127 1.00 0.00 N ATOM 1126 CA LEU A 71 68.423 4.711 -4.448 1.00 0.00 C ATOM 1127 C LEU A 71 67.167 5.489 -4.827 1.00 0.00 C ATOM 1128 O LEU A 71 66.931 5.772 -6.001 1.00 0.00 O ATOM 1129 CB LEU A 71 69.661 5.527 -4.822 1.00 0.00 C ATOM 1130 CG LEU A 71 70.881 4.606 -4.889 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.136 5.440 -5.157 1.00 0.00 C ATOM 1132 CD2 LEU A 71 71.037 3.869 -3.556 1.00 0.00 C ATOM 0 H LEU A 71 68.767 3.456 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 71 68.417 4.533 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.509 6.017 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.827 6.314 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 71 70.746 3.882 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.005 4.784 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.027 5.967 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.271 6.163 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.906 3.213 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 71 71.172 4.594 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 71 70.144 3.275 -3.362 1.00 0.00 H new