USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 776 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 52 ASN : amide:sc= 0.749 K(o=1.5,f=-9.6!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 140:sc= 0.758 (180deg=-2.19!) USER MOD Set 2.1: A 42 GLN : amide:sc= 0.565 K(o=1.4,f=-3.3!) USER MOD Set 2.2: A 56 ASN : amide:sc= 0.839 K(o=1.4,f=-0.057) USER MOD Set 3.1: A 19 THR OG1 : rot -131:sc= 1.39 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.69 K(o=3.1,f=-3.8!) USER MOD Set 4.1: A 1 GLY N :NH3+ -177:sc= 0.0785 (180deg=0) USER MOD Set 4.2: A 96 THR OG1 : rot 83:sc= 1.36 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -132:sc= 1.03 (180deg=-1.04!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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 CYS SG : rot -150:sc= -0.0081 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.158 K(o=0.16,f=-1.2) USER MOD Single : A 26 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= -0.0574 (180deg=-0.221) USER MOD Single : A 33 HIS : no HE2:sc= 0.246 K(o=0.25,f=-1.4) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 SER OG : rot 93:sc= 0.152! USER MOD Single : A 46 TYR OH : rot 168:sc= 0.997 USER MOD Single : A 47 SER OG : rot 48:sc= 0.528 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.751 K(o=0.75,f=-0.77) USER MOD Single : A 64 MET CE :methyl 173:sc= -0.29 (180deg=-0.391) USER MOD Single : A 65 SER OG : rot 91:sc= 0.664 USER MOD Single : A 67 TYR OH : rot -147:sc= 0.151 USER MOD Single : A 69 THR OG1 : rot 61:sc= 0.582 USER MOD Single : A 70 ASN : amide:sc= 0.134 K(o=0.13,f=-4.2!) USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= 1.93 (180deg=1.07) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 170:sc= 0.167 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -177:sc= 0 (180deg=-0.0149) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.16) USER MOD Single : A 92 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.63) USER MOD Single : A 97 TYR OH : rot 151:sc= 0.227 USER MOD Single : A 99 LYS NZ :NH3+ -109:sc= 0.368 (180deg=-3.26!) USER MOD Single : A 100 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.01) USER MOD Single : A 102 THR OG1 : rot 90:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 84 N GLY A 1 -13.725 -8.987 -0.072 1.00 0.00 N ATOM 85 CA GLY A 1 -14.376 -8.140 -1.070 1.00 0.00 C ATOM 86 C GLY A 1 -14.242 -8.726 -2.474 1.00 0.00 C ATOM 87 O GLY A 1 -14.261 -9.941 -2.655 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.878 -8.587 0.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.128 -9.945 -0.113 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.705 -9.033 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.431 -8.027 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.935 -7.144 -1.047 1.00 0.00 H new ATOM 91 N SER A 2 -14.106 -7.873 -3.488 1.00 0.00 N ATOM 92 CA SER A 2 -13.913 -8.305 -4.882 1.00 0.00 C ATOM 93 C SER A 2 -12.787 -7.555 -5.587 1.00 0.00 C ATOM 94 O SER A 2 -12.692 -6.330 -5.514 1.00 0.00 O ATOM 95 CB SER A 2 -15.214 -8.144 -5.666 1.00 0.00 C ATOM 96 OG SER A 2 -15.029 -8.548 -7.013 1.00 0.00 O ATOM 0 H SER A 2 -14.126 -6.860 -3.372 1.00 0.00 H new ATOM 0 HA SER A 2 -13.624 -9.356 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.001 -8.741 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.541 -7.105 -5.632 1.00 0.00 H new ATOM 0 HG SER A 2 -15.870 -8.442 -7.505 1.00 0.00 H new ATOM 102 N ALA A 3 -11.952 -8.269 -6.348 1.00 0.00 N ATOM 103 CA ALA A 3 -10.804 -7.670 -7.033 1.00 0.00 C ATOM 104 C ALA A 3 -11.192 -6.525 -7.995 1.00 0.00 C ATOM 105 O ALA A 3 -10.499 -5.516 -8.057 1.00 0.00 O ATOM 106 CB ALA A 3 -10.017 -8.776 -7.741 1.00 0.00 C ATOM 0 H ALA A 3 -12.052 -9.272 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.171 -7.196 -6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.160 -8.341 -8.255 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.670 -9.503 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.661 -9.273 -8.467 1.00 0.00 H new ATOM 112 N LYS A 4 -12.337 -6.608 -8.694 1.00 0.00 N ATOM 113 CA LYS A 4 -12.828 -5.503 -9.552 1.00 0.00 C ATOM 114 C LYS A 4 -13.354 -4.282 -8.781 1.00 0.00 C ATOM 115 O LYS A 4 -13.422 -3.184 -9.328 1.00 0.00 O ATOM 116 CB LYS A 4 -13.896 -6.008 -10.540 1.00 0.00 C ATOM 117 CG LYS A 4 -13.340 -7.030 -11.550 1.00 0.00 C ATOM 118 CD LYS A 4 -14.408 -7.526 -12.544 1.00 0.00 C ATOM 119 CE LYS A 4 -14.869 -6.482 -13.577 1.00 0.00 C ATOM 120 NZ LYS A 4 -13.811 -6.152 -14.569 1.00 0.00 N ATOM 0 H LYS A 4 -12.944 -7.428 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.951 -5.156 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.714 -6.464 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.314 -5.159 -11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.517 -6.577 -12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.929 -7.883 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.014 -8.392 -13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.277 -7.866 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.748 -6.858 -14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.172 -5.572 -13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.173 -5.445 -15.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.980 -5.767 -14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.539 -7.013 -15.085 1.00 0.00 H new ATOM 134 N LYS A 5 -13.718 -4.484 -7.521 1.00 0.00 N ATOM 135 CA LYS A 5 -14.281 -3.492 -6.588 1.00 0.00 C ATOM 136 C LYS A 5 -13.159 -2.745 -5.862 1.00 0.00 C ATOM 137 O LYS A 5 -13.110 -1.518 -5.922 1.00 0.00 O ATOM 138 CB LYS A 5 -15.265 -4.233 -5.670 1.00 0.00 C ATOM 139 CG LYS A 5 -16.110 -3.362 -4.729 1.00 0.00 C ATOM 140 CD LYS A 5 -17.333 -4.182 -4.268 1.00 0.00 C ATOM 141 CE LYS A 5 -17.949 -3.675 -2.959 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.600 -4.567 -1.828 1.00 0.00 N ATOM 0 H LYS A 5 -13.625 -5.402 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.838 -2.709 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.941 -4.817 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.700 -4.941 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.518 -3.049 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.433 -2.455 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.092 -4.160 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.036 -5.223 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.594 -2.665 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.033 -3.618 -3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.458 -4.788 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.186 -5.448 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.911 -4.092 -1.211 1.00 0.00 H new ATOM 156 N GLY A 6 -12.182 -3.476 -5.320 1.00 0.00 N ATOM 157 CA GLY A 6 -10.897 -2.909 -4.908 1.00 0.00 C ATOM 158 C GLY A 6 -10.162 -2.172 -6.034 1.00 0.00 C ATOM 159 O GLY A 6 -9.572 -1.127 -5.775 1.00 0.00 O ATOM 0 H GLY A 6 -12.260 -4.479 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.062 -2.219 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.260 -3.710 -4.533 1.00 0.00 H new ATOM 163 N ALA A 7 -10.259 -2.631 -7.289 1.00 0.00 N ATOM 164 CA ALA A 7 -9.750 -1.878 -8.440 1.00 0.00 C ATOM 165 C ALA A 7 -10.412 -0.494 -8.582 1.00 0.00 C ATOM 166 O ALA A 7 -9.711 0.509 -8.698 1.00 0.00 O ATOM 167 CB ALA A 7 -9.911 -2.694 -9.728 1.00 0.00 C ATOM 0 H ALA A 7 -10.687 -3.524 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.689 -1.701 -8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.528 -2.121 -10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.353 -3.626 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.966 -2.916 -9.889 1.00 0.00 H new ATOM 173 N THR A 8 -11.752 -0.418 -8.581 1.00 0.00 N ATOM 174 CA THR A 8 -12.493 0.858 -8.683 1.00 0.00 C ATOM 175 C THR A 8 -12.174 1.854 -7.557 1.00 0.00 C ATOM 176 O THR A 8 -12.246 3.062 -7.767 1.00 0.00 O ATOM 177 CB THR A 8 -14.009 0.596 -8.807 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.511 1.312 -9.911 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.895 0.964 -7.615 1.00 0.00 C ATOM 0 H THR A 8 -12.356 -1.237 -8.510 1.00 0.00 H new ATOM 0 HA THR A 8 -12.147 1.344 -9.595 1.00 0.00 H new ATOM 0 HB THR A 8 -14.064 -0.489 -8.896 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.473 1.149 -9.997 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.933 0.725 -7.846 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.578 0.399 -6.738 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.806 2.031 -7.411 1.00 0.00 H new ATOM 187 N LEU A 9 -11.777 1.351 -6.382 1.00 0.00 N ATOM 188 CA LEU A 9 -11.280 2.129 -5.245 1.00 0.00 C ATOM 189 C LEU A 9 -9.845 2.593 -5.495 1.00 0.00 C ATOM 190 O LEU A 9 -9.579 3.789 -5.557 1.00 0.00 O ATOM 191 CB LEU A 9 -11.358 1.298 -3.951 1.00 0.00 C ATOM 192 CG LEU A 9 -12.796 1.190 -3.430 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.925 0.009 -2.467 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.219 2.477 -2.712 1.00 0.00 C ATOM 0 H LEU A 9 -11.795 0.349 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.910 3.011 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.962 0.299 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.728 1.754 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.450 1.034 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.951 -0.055 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.665 -0.914 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.251 0.153 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.243 2.373 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.554 2.658 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.161 3.316 -3.405 1.00 0.00 H new ATOM 206 N PHE A 10 -8.916 1.652 -5.685 1.00 0.00 N ATOM 207 CA PHE A 10 -7.504 1.910 -5.999 1.00 0.00 C ATOM 208 C PHE A 10 -7.346 2.997 -7.070 1.00 0.00 C ATOM 209 O PHE A 10 -6.606 3.963 -6.864 1.00 0.00 O ATOM 210 CB PHE A 10 -6.830 0.600 -6.439 1.00 0.00 C ATOM 211 CG PHE A 10 -5.362 0.742 -6.798 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.391 0.814 -5.782 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.958 0.771 -8.148 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.035 0.995 -6.111 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.593 0.898 -8.471 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.636 1.042 -7.455 1.00 0.00 C ATOM 0 H PHE A 10 -9.131 0.657 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.014 2.283 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.927 -0.132 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.366 0.201 -7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.687 0.730 -4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.695 0.696 -8.934 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.300 1.098 -5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.282 0.884 -9.505 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.596 1.188 -7.707 1.00 0.00 H new ATOM 226 N LYS A 11 -8.135 2.891 -8.149 1.00 0.00 N ATOM 227 CA LYS A 11 -8.247 3.817 -9.293 1.00 0.00 C ATOM 228 C LYS A 11 -8.360 5.303 -8.911 1.00 0.00 C ATOM 229 O LYS A 11 -7.841 6.137 -9.646 1.00 0.00 O ATOM 230 CB LYS A 11 -9.454 3.342 -10.118 1.00 0.00 C ATOM 231 CG LYS A 11 -9.770 4.129 -11.398 1.00 0.00 C ATOM 232 CD LYS A 11 -11.090 3.601 -11.982 1.00 0.00 C ATOM 233 CE LYS A 11 -11.470 4.356 -13.257 1.00 0.00 C ATOM 234 NZ LYS A 11 -12.835 3.991 -13.713 1.00 0.00 N ATOM 0 H LYS A 11 -8.762 2.094 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.322 3.782 -9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.289 2.300 -10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.335 3.368 -9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.852 5.193 -11.178 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.963 4.015 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.995 2.537 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.885 3.705 -11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.420 5.430 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.749 4.132 -14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.064 4.519 -14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.874 2.970 -13.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.524 4.228 -12.971 1.00 0.00 H new ATOM 248 N THR A 12 -9.012 5.634 -7.791 1.00 0.00 N ATOM 249 CA THR A 12 -9.244 7.017 -7.317 1.00 0.00 C ATOM 250 C THR A 12 -8.838 7.277 -5.860 1.00 0.00 C ATOM 251 O THR A 12 -9.071 8.379 -5.368 1.00 0.00 O ATOM 252 CB THR A 12 -10.701 7.454 -7.562 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.608 6.535 -6.991 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.035 7.553 -9.053 1.00 0.00 C ATOM 0 H THR A 12 -9.407 4.932 -7.166 1.00 0.00 H new ATOM 0 HA THR A 12 -8.574 7.632 -7.918 1.00 0.00 H new ATOM 0 HB THR A 12 -10.797 8.436 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.526 6.835 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.073 7.864 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.379 8.285 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.891 6.580 -9.523 1.00 0.00 H new ATOM 262 N ARG A 13 -8.202 6.310 -5.180 1.00 0.00 N ATOM 263 CA ARG A 13 -7.717 6.427 -3.787 1.00 0.00 C ATOM 264 C ARG A 13 -6.193 6.312 -3.632 1.00 0.00 C ATOM 265 O ARG A 13 -5.634 6.866 -2.691 1.00 0.00 O ATOM 266 CB ARG A 13 -8.382 5.338 -2.921 1.00 0.00 C ATOM 267 CG ARG A 13 -9.922 5.320 -2.866 1.00 0.00 C ATOM 268 CD ARG A 13 -10.552 6.412 -1.995 1.00 0.00 C ATOM 269 NE ARG A 13 -11.841 5.931 -1.447 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.102 5.616 -0.191 1.00 0.00 C ATOM 271 NH1 ARG A 13 -11.376 6.031 0.805 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.081 4.825 0.114 1.00 0.00 N ATOM 0 H ARG A 13 -8.003 5.398 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.989 7.431 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.046 4.367 -3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.009 5.443 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.308 5.418 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.246 4.348 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.876 6.677 -1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.711 7.315 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.609 5.832 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.566 6.626 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.617 5.761 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.668 4.432 -0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.265 4.595 1.090 1.00 0.00 H new ATOM 286 N CYS A 14 -5.533 5.584 -4.538 1.00 0.00 N ATOM 287 CA CYS A 14 -4.120 5.188 -4.416 1.00 0.00 C ATOM 288 C CYS A 14 -3.341 5.389 -5.719 1.00 0.00 C ATOM 289 O CYS A 14 -2.194 5.831 -5.686 1.00 0.00 O ATOM 290 CB CYS A 14 -4.011 3.707 -4.036 1.00 0.00 C ATOM 291 SG CYS A 14 -5.034 3.071 -2.671 1.00 0.00 S ATOM 0 H CYS A 14 -5.971 5.245 -5.394 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.692 5.826 -3.643 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.246 3.121 -4.924 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.969 3.506 -3.788 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.417 2.086 -2.089 1.00 0.00 H new ATOM 296 N LEU A 15 -3.955 5.115 -6.881 1.00 0.00 N ATOM 297 CA LEU A 15 -3.364 5.286 -8.216 1.00 0.00 C ATOM 298 C LEU A 15 -2.894 6.734 -8.480 1.00 0.00 C ATOM 299 O LEU A 15 -1.893 6.946 -9.159 1.00 0.00 O ATOM 300 CB LEU A 15 -4.391 4.805 -9.258 1.00 0.00 C ATOM 301 CG LEU A 15 -3.872 4.779 -10.708 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.898 3.633 -10.985 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.052 4.616 -11.670 1.00 0.00 C ATOM 0 H LEU A 15 -4.909 4.756 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.458 4.684 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.721 3.802 -8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.266 5.453 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.344 5.721 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.573 3.675 -12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.032 3.725 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.394 2.681 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.685 4.598 -12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.572 3.683 -11.454 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.741 5.452 -11.546 1.00 0.00 H new ATOM 315 N GLN A 16 -3.532 7.721 -7.832 1.00 0.00 N ATOM 316 CA GLN A 16 -3.083 9.120 -7.779 1.00 0.00 C ATOM 317 C GLN A 16 -1.623 9.304 -7.313 1.00 0.00 C ATOM 318 O GLN A 16 -1.023 10.340 -7.589 1.00 0.00 O ATOM 319 CB GLN A 16 -4.041 9.942 -6.894 1.00 0.00 C ATOM 320 CG GLN A 16 -4.068 9.516 -5.414 1.00 0.00 C ATOM 321 CD GLN A 16 -4.909 10.479 -4.582 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.123 10.404 -4.523 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.312 11.441 -3.914 1.00 0.00 N ATOM 0 H GLN A 16 -4.398 7.563 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.106 9.486 -8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.757 10.993 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.049 9.862 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.473 8.508 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.051 9.484 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.296 11.529 -3.945 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.865 12.100 -3.365 1.00 0.00 H new ATOM 332 N CYS A 17 -1.045 8.307 -6.630 1.00 0.00 N ATOM 333 CA CYS A 17 0.324 8.319 -6.116 1.00 0.00 C ATOM 334 C CYS A 17 1.146 7.055 -6.414 1.00 0.00 C ATOM 335 O CYS A 17 2.374 7.141 -6.367 1.00 0.00 O ATOM 336 CB CYS A 17 0.293 8.544 -4.603 1.00 0.00 C ATOM 337 SG CYS A 17 -0.224 10.206 -4.065 1.00 0.00 S ATOM 0 H CYS A 17 -1.538 7.441 -6.414 1.00 0.00 H new ATOM 0 HA CYS A 17 0.825 9.131 -6.643 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.381 7.812 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.288 8.345 -4.204 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.210 10.266 -2.766 1.00 0.00 H new ATOM 342 N HIS A 18 0.535 5.908 -6.732 1.00 0.00 N ATOM 343 CA HIS A 18 1.205 4.609 -6.903 1.00 0.00 C ATOM 344 C HIS A 18 0.920 3.943 -8.253 1.00 0.00 C ATOM 345 O HIS A 18 -0.021 4.295 -8.952 1.00 0.00 O ATOM 346 CB HIS A 18 0.750 3.662 -5.781 1.00 0.00 C ATOM 347 CG HIS A 18 1.444 3.913 -4.475 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.685 3.433 -4.129 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.951 4.621 -3.412 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.940 3.855 -2.883 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.908 4.574 -2.403 1.00 0.00 N ATOM 0 H HIS A 18 -0.472 5.854 -6.883 1.00 0.00 H new ATOM 0 HA HIS A 18 2.277 4.801 -6.863 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.326 3.768 -5.639 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.931 2.632 -6.089 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.297 2.862 -4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.004 5.123 -3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.849 3.647 -2.338 1.00 0.00 H new ATOM 359 N THR A 19 1.689 2.901 -8.560 1.00 0.00 N ATOM 360 CA THR A 19 1.428 1.932 -9.633 1.00 0.00 C ATOM 361 C THR A 19 1.435 0.507 -9.059 1.00 0.00 C ATOM 362 O THR A 19 1.974 0.272 -7.974 1.00 0.00 O ATOM 363 CB THR A 19 2.436 2.098 -10.775 1.00 0.00 C ATOM 364 OG1 THR A 19 3.766 2.086 -10.289 1.00 0.00 O ATOM 365 CG2 THR A 19 2.263 3.419 -11.521 1.00 0.00 C ATOM 0 H THR A 19 2.548 2.696 -8.049 1.00 0.00 H new ATOM 0 HA THR A 19 0.441 2.120 -10.055 1.00 0.00 H new ATOM 0 HB THR A 19 2.248 1.260 -11.447 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.257 2.849 -10.660 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.002 3.485 -12.320 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.261 3.467 -11.948 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.402 4.249 -10.828 1.00 0.00 H new ATOM 373 N VAL A 20 0.797 -0.443 -9.742 1.00 0.00 N ATOM 374 CA VAL A 20 0.691 -1.874 -9.351 1.00 0.00 C ATOM 375 C VAL A 20 0.786 -2.847 -10.537 1.00 0.00 C ATOM 376 O VAL A 20 0.886 -4.062 -10.367 1.00 0.00 O ATOM 377 CB VAL A 20 -0.586 -2.093 -8.520 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.872 -2.101 -9.349 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.544 -3.354 -7.646 1.00 0.00 C ATOM 0 H VAL A 20 0.316 -0.243 -10.619 1.00 0.00 H new ATOM 0 HA VAL A 20 1.559 -2.107 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.607 -1.220 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.727 -2.260 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.981 -1.145 -9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.825 -2.903 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.477 -3.442 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.415 -4.232 -8.279 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.290 -3.285 -6.947 1.00 0.00 H new ATOM 389 N GLU A 21 0.819 -2.322 -11.756 1.00 0.00 N ATOM 390 CA GLU A 21 1.223 -3.023 -12.971 1.00 0.00 C ATOM 391 C GLU A 21 2.691 -3.475 -12.879 1.00 0.00 C ATOM 392 O GLU A 21 3.542 -2.807 -12.280 1.00 0.00 O ATOM 393 CB GLU A 21 1.047 -2.157 -14.238 1.00 0.00 C ATOM 394 CG GLU A 21 -0.081 -1.105 -14.239 1.00 0.00 C ATOM 395 CD GLU A 21 0.282 0.123 -13.391 1.00 0.00 C ATOM 396 OE1 GLU A 21 1.174 0.892 -13.806 1.00 0.00 O ATOM 397 OE2 GLU A 21 -0.234 0.216 -12.250 1.00 0.00 O ATOM 0 H GLU A 21 0.553 -1.353 -11.933 1.00 0.00 H new ATOM 0 HA GLU A 21 0.569 -3.891 -13.055 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.988 -1.639 -14.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.881 -2.827 -15.081 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.285 -0.792 -15.263 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.997 -1.554 -13.855 1.00 0.00 H new ATOM 440 N PRO A 25 5.777 2.779 -13.552 1.00 0.00 N ATOM 441 CA PRO A 25 6.920 3.543 -13.056 1.00 0.00 C ATOM 442 C PRO A 25 6.747 4.016 -11.604 1.00 0.00 C ATOM 443 O PRO A 25 5.633 4.142 -11.088 1.00 0.00 O ATOM 444 CB PRO A 25 7.069 4.716 -14.031 1.00 0.00 C ATOM 445 CG PRO A 25 5.650 4.915 -14.566 1.00 0.00 C ATOM 446 CD PRO A 25 5.110 3.488 -14.631 1.00 0.00 C ATOM 0 HA PRO A 25 7.817 2.924 -13.021 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.439 5.611 -13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.772 4.486 -14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.053 5.544 -13.905 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.650 5.392 -15.546 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.028 3.470 -14.504 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.325 3.029 -15.596 1.00 0.00 H new ATOM 454 N HIS A 26 7.868 4.349 -10.958 1.00 0.00 N ATOM 455 CA HIS A 26 7.919 5.037 -9.667 1.00 0.00 C ATOM 456 C HIS A 26 7.226 6.406 -9.754 1.00 0.00 C ATOM 457 O HIS A 26 7.681 7.314 -10.454 1.00 0.00 O ATOM 458 CB HIS A 26 9.384 5.161 -9.211 1.00 0.00 C ATOM 459 CG HIS A 26 10.034 3.846 -8.843 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.388 2.645 -8.609 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.344 3.686 -8.469 1.00 0.00 C ATOM 462 CE1 HIS A 26 10.289 1.787 -8.095 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.482 2.381 -8.012 1.00 0.00 N ATOM 0 H HIS A 26 8.794 4.140 -11.332 1.00 0.00 H new ATOM 0 HA HIS A 26 7.378 4.455 -8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.962 5.628 -10.008 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.429 5.829 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.122 4.434 -8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.079 0.771 -7.795 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.343 1.952 -7.673 1.00 0.00 H new ATOM 471 N LYS A 27 6.093 6.551 -9.060 1.00 0.00 N ATOM 472 CA LYS A 27 5.303 7.784 -8.944 1.00 0.00 C ATOM 473 C LYS A 27 5.515 8.442 -7.572 1.00 0.00 C ATOM 474 O LYS A 27 6.617 8.375 -7.037 1.00 0.00 O ATOM 475 CB LYS A 27 3.850 7.497 -9.400 1.00 0.00 C ATOM 476 CG LYS A 27 3.554 8.060 -10.801 1.00 0.00 C ATOM 477 CD LYS A 27 3.172 9.554 -10.819 1.00 0.00 C ATOM 478 CE LYS A 27 4.276 10.552 -10.419 1.00 0.00 C ATOM 479 NZ LYS A 27 5.440 10.534 -11.345 1.00 0.00 N ATOM 0 H LYS A 27 5.681 5.777 -8.539 1.00 0.00 H new ATOM 0 HA LYS A 27 5.646 8.564 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.678 6.421 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.154 7.931 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.432 7.914 -11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.743 7.485 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.831 9.807 -11.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.324 9.697 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.856 11.558 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.618 10.322 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.286 10.213 -10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.246 9.885 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.603 11.492 -11.717 1.00 0.00 H new ATOM 493 N VAL A 28 4.519 9.163 -7.052 1.00 0.00 N ATOM 494 CA VAL A 28 4.581 9.868 -5.759 1.00 0.00 C ATOM 495 C VAL A 28 4.931 8.920 -4.602 1.00 0.00 C ATOM 496 O VAL A 28 5.598 9.357 -3.676 1.00 0.00 O ATOM 497 CB VAL A 28 3.270 10.629 -5.475 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.404 11.611 -4.307 1.00 0.00 C ATOM 499 CG2 VAL A 28 2.785 11.436 -6.690 1.00 0.00 C ATOM 0 H VAL A 28 3.623 9.279 -7.526 1.00 0.00 H new ATOM 0 HA VAL A 28 5.387 10.598 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 28 2.549 9.849 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.453 12.120 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.678 11.066 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.176 12.346 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.859 11.953 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.544 12.167 -6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.607 10.761 -7.527 1.00 0.00 H new ATOM 509 N GLY A 29 4.595 7.630 -4.705 1.00 0.00 N ATOM 510 CA GLY A 29 5.234 6.517 -4.003 1.00 0.00 C ATOM 511 C GLY A 29 5.775 5.469 -5.000 1.00 0.00 C ATOM 512 O GLY A 29 5.657 5.654 -6.218 1.00 0.00 O ATOM 0 H GLY A 29 3.834 7.321 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.051 6.893 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.517 6.047 -3.330 1.00 0.00 H new ATOM 516 N PRO A 30 6.389 4.370 -4.519 1.00 0.00 N ATOM 517 CA PRO A 30 6.861 3.269 -5.367 1.00 0.00 C ATOM 518 C PRO A 30 5.806 2.628 -6.291 1.00 0.00 C ATOM 519 O PRO A 30 4.622 2.973 -6.300 1.00 0.00 O ATOM 520 CB PRO A 30 7.461 2.238 -4.404 1.00 0.00 C ATOM 521 CG PRO A 30 7.850 3.050 -3.176 1.00 0.00 C ATOM 522 CD PRO A 30 6.808 4.161 -3.136 1.00 0.00 C ATOM 0 HA PRO A 30 7.583 3.666 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.739 1.460 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.326 1.741 -4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.825 2.444 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.860 3.451 -3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.961 3.879 -2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.227 5.074 -2.713 1.00 0.00 H new ATOM 530 N ASN A 31 6.264 1.635 -7.057 1.00 0.00 N ATOM 531 CA ASN A 31 5.391 0.584 -7.570 1.00 0.00 C ATOM 532 C ASN A 31 5.088 -0.429 -6.436 1.00 0.00 C ATOM 533 O ASN A 31 5.886 -0.578 -5.508 1.00 0.00 O ATOM 534 CB ASN A 31 6.090 -0.043 -8.785 1.00 0.00 C ATOM 535 CG ASN A 31 5.235 -1.103 -9.446 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.339 -2.274 -9.141 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.321 -0.737 -10.306 1.00 0.00 N ATOM 0 H ASN A 31 7.241 1.539 -7.335 1.00 0.00 H new ATOM 0 HA ASN A 31 4.425 0.968 -7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.326 0.736 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.036 -0.484 -8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.700 -1.434 -10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.229 0.245 -10.566 1.00 0.00 H new ATOM 544 N LEU A 32 3.944 -1.112 -6.504 1.00 0.00 N ATOM 545 CA LEU A 32 3.444 -2.058 -5.491 1.00 0.00 C ATOM 546 C LEU A 32 3.429 -3.528 -5.972 1.00 0.00 C ATOM 547 O LEU A 32 3.066 -4.426 -5.213 1.00 0.00 O ATOM 548 CB LEU A 32 2.043 -1.601 -5.019 1.00 0.00 C ATOM 549 CG LEU A 32 1.979 -0.222 -4.326 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.523 0.148 -4.024 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.759 -0.187 -3.006 1.00 0.00 C ATOM 0 H LEU A 32 3.310 -1.021 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 32 4.140 -2.042 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.378 -1.583 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.651 -2.350 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 32 2.432 0.490 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.489 1.122 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.043 0.189 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.086 -0.603 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.680 0.806 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.345 -0.925 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.807 -0.416 -3.197 1.00 0.00 H new ATOM 563 N HIS A 33 3.816 -3.807 -7.219 1.00 0.00 N ATOM 564 CA HIS A 33 3.808 -5.141 -7.813 1.00 0.00 C ATOM 565 C HIS A 33 4.908 -6.043 -7.224 1.00 0.00 C ATOM 566 O HIS A 33 6.058 -6.019 -7.666 1.00 0.00 O ATOM 567 CB HIS A 33 3.932 -5.034 -9.338 1.00 0.00 C ATOM 568 CG HIS A 33 3.526 -6.322 -9.989 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.248 -6.667 -10.351 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.316 -7.424 -10.141 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.258 -7.958 -10.716 1.00 0.00 C ATOM 572 NE2 HIS A 33 3.509 -8.454 -10.644 1.00 0.00 N ATOM 0 H HIS A 33 4.153 -3.088 -7.860 1.00 0.00 H new ATOM 0 HA HIS A 33 2.856 -5.613 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.305 -4.221 -9.704 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.959 -4.791 -9.609 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.435 -6.051 -10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.370 -7.491 -9.915 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.388 -8.519 -11.023 1.00 0.00 H new ATOM 580 N GLY A 34 4.550 -6.867 -6.239 1.00 0.00 N ATOM 581 CA GLY A 34 5.491 -7.765 -5.550 1.00 0.00 C ATOM 582 C GLY A 34 5.940 -7.292 -4.166 1.00 0.00 C ATOM 583 O GLY A 34 6.942 -7.789 -3.654 1.00 0.00 O ATOM 0 H GLY A 34 3.594 -6.934 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.026 -8.746 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.373 -7.893 -6.177 1.00 0.00 H new ATOM 587 N ILE A 35 5.237 -6.330 -3.555 1.00 0.00 N ATOM 588 CA ILE A 35 5.535 -5.882 -2.183 1.00 0.00 C ATOM 589 C ILE A 35 5.186 -6.904 -1.096 1.00 0.00 C ATOM 590 O ILE A 35 5.893 -6.949 -0.093 1.00 0.00 O ATOM 591 CB ILE A 35 4.914 -4.507 -1.853 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.378 -4.432 -2.026 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.622 -3.435 -2.693 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.621 -4.609 -0.708 1.00 0.00 C ATOM 0 H ILE A 35 4.453 -5.843 -3.990 1.00 0.00 H new ATOM 0 HA ILE A 35 6.620 -5.777 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 35 5.072 -4.332 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.113 -3.470 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.059 -5.201 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.194 -2.457 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.685 -3.429 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.490 -3.657 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.549 -4.547 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.859 -5.582 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.915 -3.824 -0.011 1.00 0.00 H new ATOM 606 N PHE A 36 4.125 -7.710 -1.241 1.00 0.00 N ATOM 607 CA PHE A 36 3.758 -8.729 -0.265 1.00 0.00 C ATOM 608 C PHE A 36 4.897 -9.739 -0.084 1.00 0.00 C ATOM 609 O PHE A 36 5.560 -10.153 -1.033 1.00 0.00 O ATOM 610 CB PHE A 36 2.431 -9.393 -0.657 1.00 0.00 C ATOM 611 CG PHE A 36 1.228 -8.475 -0.509 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.732 -8.167 0.773 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.595 -7.929 -1.643 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.382 -7.319 0.924 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.520 -7.087 -1.495 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.010 -6.781 -0.212 1.00 0.00 C ATOM 0 H PHE A 36 3.498 -7.668 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 36 3.602 -8.257 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.495 -9.732 -1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.281 -10.279 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.210 -8.585 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.968 -8.159 -2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.753 -7.083 1.910 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.002 -6.674 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.867 -6.134 -0.101 1.00 0.00 H new ATOM 626 N GLY A 37 5.162 -10.081 1.168 1.00 0.00 N ATOM 627 CA GLY A 37 6.292 -10.903 1.609 1.00 0.00 C ATOM 628 C GLY A 37 7.648 -10.182 1.581 1.00 0.00 C ATOM 629 O GLY A 37 8.626 -10.676 2.146 1.00 0.00 O ATOM 0 H GLY A 37 4.571 -9.782 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.099 -11.250 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.351 -11.788 0.976 1.00 0.00 H new ATOM 633 N ARG A 38 7.735 -8.995 0.968 1.00 0.00 N ATOM 634 CA ARG A 38 8.863 -8.076 1.138 1.00 0.00 C ATOM 635 C ARG A 38 8.718 -7.306 2.447 1.00 0.00 C ATOM 636 O ARG A 38 7.738 -7.459 3.166 1.00 0.00 O ATOM 637 CB ARG A 38 8.964 -7.142 -0.091 1.00 0.00 C ATOM 638 CG ARG A 38 10.412 -6.883 -0.494 1.00 0.00 C ATOM 639 CD ARG A 38 10.958 -8.119 -1.206 1.00 0.00 C ATOM 640 NE ARG A 38 12.388 -8.301 -0.910 1.00 0.00 N ATOM 641 CZ ARG A 38 13.098 -9.399 -1.028 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.615 -10.489 -1.562 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.313 -9.388 -0.573 1.00 0.00 N ATOM 0 H ARG A 38 7.017 -8.644 0.335 1.00 0.00 H new ATOM 0 HA ARG A 38 9.796 -8.637 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.428 -7.587 -0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.475 -6.194 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.471 -6.014 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.014 -6.659 0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.401 -9.002 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.814 -8.018 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 38 12.886 -7.477 -0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.655 -10.507 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.198 -11.322 -1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.688 -8.544 -0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.893 -10.224 -0.648 1.00 0.00 H new ATOM 657 N HIS A 39 9.719 -6.498 2.766 1.00 0.00 N ATOM 658 CA HIS A 39 9.748 -5.699 3.988 1.00 0.00 C ATOM 659 C HIS A 39 9.755 -4.212 3.632 1.00 0.00 C ATOM 660 O HIS A 39 10.308 -3.824 2.602 1.00 0.00 O ATOM 661 CB HIS A 39 10.945 -6.094 4.852 1.00 0.00 C ATOM 662 CG HIS A 39 10.905 -7.517 5.352 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.021 -8.669 4.600 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.728 -7.892 6.653 1.00 0.00 C ATOM 665 CE1 HIS A 39 10.901 -9.716 5.433 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.729 -9.290 6.690 1.00 0.00 N ATOM 0 H HIS A 39 10.544 -6.376 2.179 1.00 0.00 H new ATOM 0 HA HIS A 39 8.852 -5.894 4.577 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.859 -5.949 4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.998 -5.421 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.609 -7.230 7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.938 -10.752 5.132 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.619 -9.875 7.519 1.00 0.00 H new ATOM 674 N SER A 40 9.114 -3.393 4.462 1.00 0.00 N ATOM 675 CA SER A 40 8.912 -1.971 4.190 1.00 0.00 C ATOM 676 C SER A 40 10.211 -1.201 3.947 1.00 0.00 C ATOM 677 O SER A 40 11.144 -1.251 4.753 1.00 0.00 O ATOM 678 CB SER A 40 8.096 -1.316 5.299 1.00 0.00 C ATOM 679 OG SER A 40 8.801 -1.276 6.520 1.00 0.00 O ATOM 0 H SER A 40 8.717 -3.700 5.350 1.00 0.00 H new ATOM 0 HA SER A 40 8.352 -1.922 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.828 -0.302 5.002 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.164 -1.865 5.436 1.00 0.00 H new ATOM 0 HG SER A 40 9.273 -0.421 6.597 1.00 0.00 H new ATOM 685 N GLY A 41 10.246 -0.482 2.829 1.00 0.00 N ATOM 686 CA GLY A 41 11.450 0.208 2.350 1.00 0.00 C ATOM 687 C GLY A 41 12.374 -0.624 1.445 1.00 0.00 C ATOM 688 O GLY A 41 13.585 -0.435 1.508 1.00 0.00 O ATOM 0 H GLY A 41 9.436 -0.358 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.143 1.100 1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.023 0.544 3.214 1.00 0.00 H new ATOM 692 N GLN A 42 11.852 -1.562 0.639 1.00 0.00 N ATOM 693 CA GLN A 42 12.639 -2.425 -0.266 1.00 0.00 C ATOM 694 C GLN A 42 12.301 -2.290 -1.771 1.00 0.00 C ATOM 695 O GLN A 42 12.672 -3.170 -2.548 1.00 0.00 O ATOM 696 CB GLN A 42 12.608 -3.899 0.208 1.00 0.00 C ATOM 697 CG GLN A 42 13.437 -4.149 1.481 1.00 0.00 C ATOM 698 CD GLN A 42 13.749 -5.632 1.744 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.681 -6.509 0.884 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.116 -5.987 2.956 1.00 0.00 N ATOM 0 H GLN A 42 10.850 -1.748 0.595 1.00 0.00 H new ATOM 0 HA GLN A 42 13.661 -2.053 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.574 -4.192 0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.982 -4.538 -0.592 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.375 -3.599 1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.899 -3.744 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.183 -5.286 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.333 -6.963 3.158 1.00 0.00 H new ATOM 741 N TYR A 46 14.523 3.579 -5.184 1.00 0.00 N ATOM 742 CA TYR A 46 13.570 4.556 -4.653 1.00 0.00 C ATOM 743 C TYR A 46 14.019 5.072 -3.273 1.00 0.00 C ATOM 744 O TYR A 46 13.898 4.378 -2.266 1.00 0.00 O ATOM 745 CB TYR A 46 12.161 3.932 -4.632 1.00 0.00 C ATOM 746 CG TYR A 46 11.020 4.937 -4.563 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.921 5.879 -3.521 1.00 0.00 C ATOM 748 CD2 TYR A 46 10.054 4.944 -5.584 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.929 6.874 -3.575 1.00 0.00 C ATOM 750 CE2 TYR A 46 9.065 5.942 -5.644 1.00 0.00 C ATOM 751 CZ TYR A 46 9.024 6.929 -4.649 1.00 0.00 C ATOM 752 OH TYR A 46 8.112 7.929 -4.721 1.00 0.00 O ATOM 0 HA TYR A 46 13.537 5.431 -5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.036 3.322 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.088 3.261 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.603 5.837 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 46 10.072 4.169 -6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.862 7.604 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.344 5.948 -6.448 1.00 0.00 H new ATOM 0 HH TYR A 46 7.693 7.927 -5.607 1.00 0.00 H new ATOM 762 N SER A 47 14.524 6.307 -3.186 1.00 0.00 N ATOM 763 CA SER A 47 14.899 6.934 -1.905 1.00 0.00 C ATOM 764 C SER A 47 13.691 7.222 -0.984 1.00 0.00 C ATOM 765 O SER A 47 13.123 8.318 -1.001 1.00 0.00 O ATOM 766 CB SER A 47 15.746 8.189 -2.147 1.00 0.00 C ATOM 767 OG SER A 47 15.009 9.177 -2.839 1.00 0.00 O ATOM 0 H SER A 47 14.686 6.903 -3.998 1.00 0.00 H new ATOM 0 HA SER A 47 15.505 6.207 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.089 8.589 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.635 7.926 -2.721 1.00 0.00 H new ATOM 0 HG SER A 47 14.134 9.292 -2.412 1.00 0.00 H new ATOM 773 N TYR A 48 13.303 6.227 -0.180 1.00 0.00 N ATOM 774 CA TYR A 48 12.336 6.293 0.926 1.00 0.00 C ATOM 775 C TYR A 48 12.728 7.297 2.027 1.00 0.00 C ATOM 776 O TYR A 48 13.865 7.768 2.098 1.00 0.00 O ATOM 777 CB TYR A 48 12.235 4.896 1.577 1.00 0.00 C ATOM 778 CG TYR A 48 11.458 3.850 0.811 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.105 3.015 -0.117 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.091 3.663 1.086 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.378 2.024 -0.800 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.376 2.635 0.443 1.00 0.00 C ATOM 783 CZ TYR A 48 10.019 1.805 -0.500 1.00 0.00 C ATOM 784 OH TYR A 48 9.357 0.753 -1.051 1.00 0.00 O ATOM 0 H TYR A 48 13.682 5.287 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 48 11.391 6.625 0.497 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.246 4.521 1.738 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.777 5.010 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.162 3.135 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.590 4.309 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.864 1.428 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.332 2.481 0.672 1.00 0.00 H new ATOM 0 HH TYR A 48 8.429 0.750 -0.737 1.00 0.00 H new ATOM 794 N THR A 49 11.809 7.544 2.963 1.00 0.00 N ATOM 795 CA THR A 49 12.121 8.013 4.318 1.00 0.00 C ATOM 796 C THR A 49 12.702 6.911 5.202 1.00 0.00 C ATOM 797 O THR A 49 12.256 5.761 5.209 1.00 0.00 O ATOM 798 CB THR A 49 10.902 8.603 5.049 1.00 0.00 C ATOM 799 OG1 THR A 49 9.774 7.752 5.065 1.00 0.00 O ATOM 800 CG2 THR A 49 10.515 9.943 4.436 1.00 0.00 C ATOM 0 H THR A 49 10.810 7.422 2.799 1.00 0.00 H new ATOM 0 HA THR A 49 12.864 8.795 4.163 1.00 0.00 H new ATOM 0 HB THR A 49 11.213 8.730 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.041 8.190 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.651 10.348 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.351 10.637 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.265 9.803 3.384 1.00 0.00 H new ATOM 808 N ASP A 50 13.652 7.331 6.040 1.00 0.00 N ATOM 809 CA ASP A 50 14.225 6.585 7.162 1.00 0.00 C ATOM 810 C ASP A 50 13.144 5.868 7.993 1.00 0.00 C ATOM 811 O ASP A 50 13.216 4.654 8.176 1.00 0.00 O ATOM 812 CB ASP A 50 15.055 7.581 7.995 1.00 0.00 C ATOM 813 CG ASP A 50 15.655 6.960 9.256 1.00 0.00 C ATOM 814 OD1 ASP A 50 14.884 6.754 10.218 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.865 6.629 9.259 1.00 0.00 O ATOM 0 H ASP A 50 14.067 8.258 5.947 1.00 0.00 H new ATOM 0 HA ASP A 50 14.868 5.784 6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.859 7.980 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.423 8.423 8.278 1.00 0.00 H new ATOM 820 N ALA A 51 12.099 6.584 8.418 1.00 0.00 N ATOM 821 CA ALA A 51 11.048 6.043 9.276 1.00 0.00 C ATOM 822 C ALA A 51 10.305 4.832 8.663 1.00 0.00 C ATOM 823 O ALA A 51 9.938 3.908 9.392 1.00 0.00 O ATOM 824 CB ALA A 51 10.105 7.194 9.645 1.00 0.00 C ATOM 0 H ALA A 51 11.960 7.564 8.172 1.00 0.00 H new ATOM 0 HA ALA A 51 11.504 5.632 10.177 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.308 6.820 10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.663 7.967 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.672 7.615 8.737 1.00 0.00 H new ATOM 830 N ASN A 52 10.116 4.770 7.336 1.00 0.00 N ATOM 831 CA ASN A 52 9.544 3.589 6.675 1.00 0.00 C ATOM 832 C ASN A 52 10.520 2.394 6.605 1.00 0.00 C ATOM 833 O ASN A 52 10.092 1.237 6.587 1.00 0.00 O ATOM 834 CB ASN A 52 9.057 3.975 5.270 1.00 0.00 C ATOM 835 CG ASN A 52 8.280 2.822 4.657 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.261 2.377 5.172 1.00 0.00 O ATOM 837 ND2 ASN A 52 8.738 2.264 3.571 1.00 0.00 N ATOM 0 H ASN A 52 10.353 5.529 6.697 1.00 0.00 H new ATOM 0 HA ASN A 52 8.704 3.253 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.426 4.862 5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.908 4.229 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.249 1.468 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.585 2.624 3.131 1.00 0.00 H new ATOM 844 N ILE A 53 11.829 2.658 6.595 1.00 0.00 N ATOM 845 CA ILE A 53 12.888 1.642 6.594 1.00 0.00 C ATOM 846 C ILE A 53 13.107 1.078 7.996 1.00 0.00 C ATOM 847 O ILE A 53 13.088 -0.144 8.146 1.00 0.00 O ATOM 848 CB ILE A 53 14.202 2.216 6.034 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.039 2.738 4.585 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.329 1.164 6.076 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.153 3.704 4.159 1.00 0.00 C ATOM 0 H ILE A 53 12.193 3.611 6.587 1.00 0.00 H new ATOM 0 HA ILE A 53 12.566 0.828 5.945 1.00 0.00 H new ATOM 0 HB ILE A 53 14.469 3.058 6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.022 1.890 3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.076 3.241 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.245 1.596 5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.496 0.851 7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.043 0.300 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.978 4.032 3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.157 4.570 4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.116 3.198 4.219 1.00 0.00 H new ATOM 863 N LYS A 54 13.240 1.923 9.036 1.00 0.00 N ATOM 864 CA LYS A 54 13.300 1.496 10.453 1.00 0.00 C ATOM 865 C LYS A 54 12.159 0.555 10.827 1.00 0.00 C ATOM 866 O LYS A 54 12.295 -0.249 11.742 1.00 0.00 O ATOM 867 CB LYS A 54 13.213 2.693 11.401 1.00 0.00 C ATOM 868 CG LYS A 54 14.318 3.720 11.204 1.00 0.00 C ATOM 869 CD LYS A 54 15.729 3.383 11.705 1.00 0.00 C ATOM 870 CE LYS A 54 16.500 4.622 11.249 1.00 0.00 C ATOM 871 NZ LYS A 54 17.952 4.651 11.498 1.00 0.00 N ATOM 0 H LYS A 54 13.310 2.934 8.918 1.00 0.00 H new ATOM 0 HA LYS A 54 14.256 0.983 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.248 3.182 11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.245 2.332 12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.387 3.932 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.004 4.642 11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.763 3.250 12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.118 2.467 11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.340 4.742 10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.058 5.491 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.348 5.544 11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.130 4.578 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.404 3.852 11.010 1.00 0.00 H new ATOM 885 N LYS A 55 11.032 0.681 10.118 1.00 0.00 N ATOM 886 CA LYS A 55 9.808 -0.088 10.374 1.00 0.00 C ATOM 887 C LYS A 55 9.963 -1.559 9.974 1.00 0.00 C ATOM 888 O LYS A 55 9.386 -2.403 10.644 1.00 0.00 O ATOM 889 CB LYS A 55 8.629 0.602 9.659 1.00 0.00 C ATOM 890 CG LYS A 55 7.268 -0.099 9.851 1.00 0.00 C ATOM 891 CD LYS A 55 6.121 0.500 9.014 1.00 0.00 C ATOM 892 CE LYS A 55 6.515 0.501 7.536 1.00 0.00 C ATOM 893 NZ LYS A 55 5.407 0.752 6.594 1.00 0.00 N ATOM 0 H LYS A 55 10.943 1.331 9.337 1.00 0.00 H new ATOM 0 HA LYS A 55 9.605 -0.101 11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.550 1.627 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.848 0.657 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.376 -1.153 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.995 -0.053 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.210 -0.081 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.907 1.516 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.282 1.259 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.965 -0.462 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.737 1.371 5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.080 -0.151 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.622 1.213 7.097 1.00 0.00 H new ATOM 907 N ASN A 56 10.680 -1.840 8.876 1.00 0.00 N ATOM 908 CA ASN A 56 10.779 -3.120 8.147 1.00 0.00 C ATOM 909 C ASN A 56 9.577 -4.083 8.353 1.00 0.00 C ATOM 910 O ASN A 56 9.734 -5.268 8.632 1.00 0.00 O ATOM 911 CB ASN A 56 12.190 -3.741 8.335 1.00 0.00 C ATOM 912 CG ASN A 56 12.997 -3.716 7.044 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.274 -4.715 6.405 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.388 -2.551 6.598 1.00 0.00 N ATOM 0 H ASN A 56 11.254 -1.121 8.436 1.00 0.00 H new ATOM 0 HA ASN A 56 10.682 -2.903 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.727 -3.194 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.091 -4.770 8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.916 -2.489 5.728 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.165 -1.704 7.120 1.00 0.00 H new ATOM 921 N VAL A 57 8.350 -3.576 8.168 1.00 0.00 N ATOM 922 CA VAL A 57 7.101 -4.357 8.182 1.00 0.00 C ATOM 923 C VAL A 57 7.120 -5.337 7.020 1.00 0.00 C ATOM 924 O VAL A 57 7.134 -4.922 5.862 1.00 0.00 O ATOM 925 CB VAL A 57 5.848 -3.441 8.189 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.660 -3.872 7.320 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.328 -3.298 9.626 1.00 0.00 C ATOM 0 H VAL A 57 8.193 -2.582 7.999 1.00 0.00 H new ATOM 0 HA VAL A 57 7.037 -4.929 9.108 1.00 0.00 H new ATOM 0 HB VAL A 57 6.214 -2.511 7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.854 -3.144 7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.973 -3.928 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.307 -4.850 7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.448 -2.655 9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.062 -4.280 10.016 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.104 -2.857 10.252 1.00 0.00 H new ATOM 937 N LEU A 58 7.162 -6.630 7.339 1.00 0.00 N ATOM 938 CA LEU A 58 6.910 -7.717 6.391 1.00 0.00 C ATOM 939 C LEU A 58 5.471 -7.594 5.881 1.00 0.00 C ATOM 940 O LEU A 58 4.522 -7.820 6.632 1.00 0.00 O ATOM 941 CB LEU A 58 7.188 -9.081 7.047 1.00 0.00 C ATOM 942 CG LEU A 58 7.247 -10.257 6.045 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.854 -11.474 6.750 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.869 -10.702 5.527 1.00 0.00 C ATOM 0 H LEU A 58 7.376 -6.958 8.281 1.00 0.00 H new ATOM 0 HA LEU A 58 7.585 -7.644 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.134 -9.028 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.412 -9.283 7.785 1.00 0.00 H new ATOM 0 HG LEU A 58 7.837 -9.903 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.901 -12.311 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.859 -11.231 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.234 -11.747 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.993 -11.530 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.251 -11.023 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.385 -9.868 5.018 1.00 0.00 H new ATOM 956 N TRP A 59 5.303 -7.158 4.639 1.00 0.00 N ATOM 957 CA TRP A 59 3.997 -6.911 4.035 1.00 0.00 C ATOM 958 C TRP A 59 3.144 -8.182 3.916 1.00 0.00 C ATOM 959 O TRP A 59 3.398 -9.045 3.081 1.00 0.00 O ATOM 960 CB TRP A 59 4.187 -6.218 2.685 1.00 0.00 C ATOM 961 CG TRP A 59 4.688 -4.813 2.798 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.830 -4.320 2.265 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.085 -3.718 3.543 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.973 -2.994 2.630 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.963 -2.600 3.479 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.897 -3.567 4.293 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.706 -1.407 4.163 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.611 -2.366 4.960 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.504 -1.280 4.890 1.00 0.00 C ATOM 0 H TRP A 59 6.083 -6.962 4.011 1.00 0.00 H new ATOM 0 HA TRP A 59 3.436 -6.252 4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.888 -6.797 2.084 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.237 -6.214 2.151 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.522 -4.876 1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.728 -2.387 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.198 -4.388 4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.418 -0.595 4.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.699 -2.274 5.531 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.269 -0.353 5.391 1.00 0.00 H new ATOM 980 N ASP A 60 2.120 -8.272 4.755 1.00 0.00 N ATOM 981 CA ASP A 60 1.127 -9.346 4.840 1.00 0.00 C ATOM 982 C ASP A 60 -0.290 -8.772 4.628 1.00 0.00 C ATOM 983 O ASP A 60 -0.484 -7.557 4.682 1.00 0.00 O ATOM 984 CB ASP A 60 1.309 -10.065 6.192 1.00 0.00 C ATOM 985 CG ASP A 60 0.012 -10.667 6.719 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.399 -11.705 6.166 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.657 -9.984 7.530 1.00 0.00 O ATOM 0 H ASP A 60 1.945 -7.544 5.447 1.00 0.00 H new ATOM 0 HA ASP A 60 1.269 -10.085 4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.052 -10.855 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.701 -9.359 6.924 1.00 0.00 H new ATOM 992 N GLU A 61 -1.277 -9.636 4.398 1.00 0.00 N ATOM 993 CA GLU A 61 -2.681 -9.279 4.154 1.00 0.00 C ATOM 994 C GLU A 61 -3.297 -8.451 5.302 1.00 0.00 C ATOM 995 O GLU A 61 -3.955 -7.440 5.047 1.00 0.00 O ATOM 996 CB GLU A 61 -3.507 -10.554 3.862 1.00 0.00 C ATOM 997 CG GLU A 61 -3.125 -11.186 2.510 1.00 0.00 C ATOM 998 CD GLU A 61 -3.908 -12.469 2.169 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.151 -12.398 2.033 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.251 -13.499 1.907 1.00 0.00 O ATOM 0 H GLU A 61 -1.119 -10.643 4.375 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.709 -8.633 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.350 -11.280 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.569 -10.307 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.288 -10.453 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.059 -11.415 2.517 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.080 -8.826 6.568 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.618 -8.117 7.733 1.00 0.00 C ATOM 1009 C ASN A 62 -2.656 -7.041 8.249 1.00 0.00 C ATOM 1010 O ASN A 62 -3.103 -5.955 8.612 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.988 -9.147 8.816 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.403 -9.676 8.647 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -6.179 -9.794 9.580 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.815 -9.970 7.436 1.00 0.00 N ATOM 0 H ASN A 62 -2.518 -9.641 6.814 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.519 -7.579 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.284 -9.979 8.779 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.889 -8.689 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.771 -10.292 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.179 -9.877 6.644 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.349 -7.293 8.211 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.304 -6.337 8.589 1.00 0.00 C ATOM 1023 C ASN A 63 -0.358 -5.054 7.722 1.00 0.00 C ATOM 1024 O ASN A 63 -0.213 -3.935 8.212 1.00 0.00 O ATOM 1025 CB ASN A 63 1.023 -7.111 8.496 1.00 0.00 C ATOM 1026 CG ASN A 63 2.137 -6.583 9.373 1.00 0.00 C ATOM 1027 OD1 ASN A 63 1.951 -6.024 10.437 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.366 -6.821 8.989 1.00 0.00 N ATOM 0 H ASN A 63 -0.975 -8.192 7.908 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.436 -5.959 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.837 -8.152 8.759 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.361 -7.099 7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.148 -6.539 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.541 -7.289 8.100 1.00 0.00 H new ATOM 1035 N MET A 64 -0.684 -5.202 6.431 1.00 0.00 N ATOM 1036 CA MET A 64 -1.069 -4.106 5.536 1.00 0.00 C ATOM 1037 C MET A 64 -2.326 -3.379 6.026 1.00 0.00 C ATOM 1038 O MET A 64 -2.353 -2.155 6.047 1.00 0.00 O ATOM 1039 CB MET A 64 -1.299 -4.687 4.136 1.00 0.00 C ATOM 1040 CG MET A 64 -1.801 -3.687 3.089 1.00 0.00 C ATOM 1041 SD MET A 64 -0.596 -2.427 2.605 1.00 0.00 S ATOM 1042 CE MET A 64 0.507 -3.476 1.619 1.00 0.00 C ATOM 0 H MET A 64 -0.687 -6.112 5.970 1.00 0.00 H new ATOM 0 HA MET A 64 -0.267 -3.368 5.517 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.364 -5.121 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.019 -5.501 4.212 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.108 -4.237 2.199 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.689 -3.190 3.478 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.255 -2.855 1.126 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.004 -4.195 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.074 -4.010 0.867 1.00 0.00 H new ATOM 1052 N SER A 65 -3.384 -4.111 6.385 1.00 0.00 N ATOM 1053 CA SER A 65 -4.660 -3.531 6.825 1.00 0.00 C ATOM 1054 C SER A 65 -4.493 -2.585 8.019 1.00 0.00 C ATOM 1055 O SER A 65 -5.066 -1.495 8.017 1.00 0.00 O ATOM 1056 CB SER A 65 -5.655 -4.648 7.163 1.00 0.00 C ATOM 1057 OG SER A 65 -6.984 -4.156 7.191 1.00 0.00 O ATOM 0 H SER A 65 -3.381 -5.131 6.379 1.00 0.00 H new ATOM 0 HA SER A 65 -5.048 -2.934 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.575 -5.446 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.404 -5.082 8.131 1.00 0.00 H new ATOM 0 HG SER A 65 -7.386 -4.248 6.302 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.667 -2.950 9.000 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.342 -2.104 10.153 1.00 0.00 C ATOM 1065 C GLU A 66 -2.599 -0.820 9.745 1.00 0.00 C ATOM 1066 O GLU A 66 -3.040 0.289 10.062 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.549 -2.936 11.175 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.393 -2.231 12.533 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.726 -1.794 13.168 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.781 -2.381 12.832 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.673 -0.833 13.973 1.00 0.00 O ATOM 0 H GLU A 66 -3.197 -3.855 9.018 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.270 -1.766 10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.050 -3.892 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.561 -3.154 10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.877 -2.900 13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.759 -1.354 12.405 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.535 -0.944 8.939 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.855 0.205 8.323 1.00 0.00 C ATOM 1080 C TYR A 67 -1.825 1.091 7.523 1.00 0.00 C ATOM 1081 O TYR A 67 -1.773 2.305 7.651 1.00 0.00 O ATOM 1082 CB TYR A 67 0.302 -0.287 7.435 1.00 0.00 C ATOM 1083 CG TYR A 67 1.029 0.833 6.707 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.747 1.776 7.459 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.936 0.984 5.307 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.322 2.896 6.836 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.543 2.084 4.668 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.224 3.053 5.436 1.00 0.00 C ATOM 1089 OH TYR A 67 2.767 4.152 4.850 1.00 0.00 O ATOM 0 H TYR A 67 -1.121 -1.844 8.696 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.452 0.825 9.124 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.016 -0.832 8.052 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.089 -0.992 6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.858 1.639 8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.397 0.253 4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.839 3.637 7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.487 2.185 3.594 1.00 0.00 H new ATOM 0 HH TYR A 67 2.228 4.408 4.073 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.734 0.526 6.723 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.766 1.276 5.997 1.00 0.00 C ATOM 1101 C LEU A 68 -4.881 1.847 6.894 1.00 0.00 C ATOM 1102 O LEU A 68 -5.587 2.751 6.445 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.365 0.398 4.885 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.406 0.046 3.735 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.176 -0.797 2.720 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.838 1.268 3.006 1.00 0.00 C ATOM 0 H LEU A 68 -2.775 -0.480 6.558 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.266 2.143 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.726 -0.529 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.232 0.910 4.469 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.561 -0.484 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.518 -1.061 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.537 -1.706 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.024 -0.226 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.171 0.939 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.655 1.849 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.283 1.887 3.711 1.00 0.00 H new ATOM 1118 N THR A 69 -5.037 1.390 8.140 1.00 0.00 N ATOM 1119 CA THR A 69 -5.928 2.022 9.129 1.00 0.00 C ATOM 1120 C THR A 69 -5.402 3.390 9.559 1.00 0.00 C ATOM 1121 O THR A 69 -6.130 4.377 9.460 1.00 0.00 O ATOM 1122 CB THR A 69 -6.174 1.141 10.354 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.628 -0.121 9.942 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.253 1.703 11.278 1.00 0.00 C ATOM 0 H THR A 69 -4.549 0.568 8.497 1.00 0.00 H new ATOM 0 HA THR A 69 -6.887 2.155 8.628 1.00 0.00 H new ATOM 0 HB THR A 69 -5.226 1.092 10.889 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.948 -0.545 9.378 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.385 1.037 12.130 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.952 2.689 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.193 1.785 10.732 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.148 3.468 10.021 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.504 4.727 10.405 1.00 0.00 C ATOM 1134 C ASN A 70 -2.011 4.752 9.996 1.00 0.00 C ATOM 1135 O ASN A 70 -1.117 4.602 10.841 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.745 4.986 11.904 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.476 6.435 12.275 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.568 7.089 11.784 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.257 6.997 13.170 1.00 0.00 N ATOM 0 H ASN A 70 -3.548 2.652 10.139 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.955 5.554 9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.774 4.731 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.101 4.334 12.494 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.101 7.966 13.446 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.019 6.464 13.589 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.708 4.994 8.705 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.340 4.928 8.192 1.00 0.00 C ATOM 1148 C PRO A 71 0.520 6.047 8.772 1.00 0.00 C ATOM 1149 O PRO A 71 1.703 5.855 9.043 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.460 5.033 6.665 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.806 5.721 6.437 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.649 5.272 7.629 1.00 0.00 C ATOM 0 HA PRO A 71 0.153 4.000 8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.360 5.613 6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.431 4.050 6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.701 6.806 6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.256 5.418 5.492 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.357 6.048 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.232 4.385 7.382 1.00 0.00 H new ATOM 1160 N LYS A 72 -0.091 7.216 8.989 1.00 0.00 N ATOM 1161 CA LYS A 72 0.548 8.440 9.480 1.00 0.00 C ATOM 1162 C LYS A 72 0.967 8.358 10.951 1.00 0.00 C ATOM 1163 O LYS A 72 1.872 9.087 11.343 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.384 9.622 9.150 1.00 0.00 C ATOM 1165 CG LYS A 72 0.278 11.002 9.302 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.551 12.116 8.635 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.301 12.183 7.119 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.229 13.122 6.439 1.00 0.00 N ATOM 0 H LYS A 72 -1.089 7.340 8.819 1.00 0.00 H new ATOM 0 HA LYS A 72 1.499 8.591 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.743 9.513 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.257 9.576 9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.405 11.229 10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.274 10.977 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.611 11.942 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.301 13.076 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.727 12.494 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.414 11.188 6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.794 13.463 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.119 12.631 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.425 13.930 7.064 1.00 0.00 H new ATOM 1182 N LYS A 73 0.378 7.452 11.746 1.00 0.00 N ATOM 1183 CA LYS A 73 0.861 7.105 13.095 1.00 0.00 C ATOM 1184 C LYS A 73 1.759 5.862 13.122 1.00 0.00 C ATOM 1185 O LYS A 73 2.615 5.785 13.997 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.322 6.961 14.068 1.00 0.00 C ATOM 1187 CG LYS A 73 0.098 7.180 15.537 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.589 6.221 16.520 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.019 4.803 16.364 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.592 3.859 17.355 1.00 0.00 N ATOM 0 H LYS A 73 -0.456 6.933 11.469 1.00 0.00 H new ATOM 0 HA LYS A 73 1.492 7.931 13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.097 7.680 13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.758 5.968 13.961 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.178 7.060 15.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.131 8.207 15.823 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.442 6.570 17.542 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.664 6.211 16.338 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.224 4.439 15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.065 4.834 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.180 2.915 17.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.375 4.191 18.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.623 3.809 17.231 1.00 0.00 H new ATOM 1204 N TYR A 74 1.600 4.885 12.213 1.00 0.00 N ATOM 1205 CA TYR A 74 2.559 3.771 12.094 1.00 0.00 C ATOM 1206 C TYR A 74 3.967 4.266 11.694 1.00 0.00 C ATOM 1207 O TYR A 74 4.980 3.747 12.154 1.00 0.00 O ATOM 1208 CB TYR A 74 2.020 2.744 11.080 1.00 0.00 C ATOM 1209 CG TYR A 74 2.341 1.290 11.397 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.677 0.866 11.549 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.297 0.359 11.573 1.00 0.00 C ATOM 1212 CE1 TYR A 74 3.967 -0.450 11.951 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.583 -0.971 11.945 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.917 -1.365 12.168 1.00 0.00 C ATOM 1215 OH TYR A 74 3.199 -2.616 12.607 1.00 0.00 O ATOM 0 H TYR A 74 0.823 4.843 11.554 1.00 0.00 H new ATOM 0 HA TYR A 74 2.663 3.294 13.069 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.938 2.855 11.016 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.424 2.982 10.096 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.484 1.557 11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.273 0.666 11.422 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.992 -0.759 12.093 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.781 -1.686 12.059 1.00 0.00 H new ATOM 0 HH TYR A 74 2.366 -3.123 12.708 1.00 0.00 H new ATOM 1225 N ILE A 75 4.027 5.304 10.860 1.00 0.00 N ATOM 1226 CA ILE A 75 5.261 5.979 10.457 1.00 0.00 C ATOM 1227 C ILE A 75 5.101 7.479 10.778 1.00 0.00 C ATOM 1228 O ILE A 75 4.621 8.246 9.931 1.00 0.00 O ATOM 1229 CB ILE A 75 5.551 5.736 8.968 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.583 4.268 8.514 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.888 6.408 8.584 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.514 4.219 6.982 1.00 0.00 C ATOM 0 H ILE A 75 3.194 5.710 10.434 1.00 0.00 H new ATOM 0 HA ILE A 75 6.116 5.581 11.004 1.00 0.00 H new ATOM 0 HB ILE A 75 4.700 6.178 8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.494 3.785 8.866 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.745 3.721 8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.092 6.235 7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.823 7.480 8.770 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.694 5.984 9.183 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.536 3.181 6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.590 4.689 6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.367 4.753 6.562 1.00 0.00 H new ATOM 1244 N PRO A 76 5.455 7.921 11.998 1.00 0.00 N ATOM 1245 CA PRO A 76 5.405 9.333 12.357 1.00 0.00 C ATOM 1246 C PRO A 76 6.383 10.124 11.479 1.00 0.00 C ATOM 1247 O PRO A 76 7.590 9.898 11.524 1.00 0.00 O ATOM 1248 CB PRO A 76 5.731 9.394 13.854 1.00 0.00 C ATOM 1249 CG PRO A 76 6.563 8.137 14.098 1.00 0.00 C ATOM 1250 CD PRO A 76 5.987 7.132 13.102 1.00 0.00 C ATOM 0 HA PRO A 76 4.430 9.788 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.287 10.297 14.106 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.825 9.398 14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.623 8.316 13.920 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.467 7.785 15.125 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.756 6.443 12.754 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.205 6.530 13.564 1.00 0.00 H new ATOM 1258 N GLY A 77 5.852 11.025 10.644 1.00 0.00 N ATOM 1259 CA GLY A 77 6.637 11.784 9.660 1.00 0.00 C ATOM 1260 C GLY A 77 6.641 11.190 8.245 1.00 0.00 C ATOM 1261 O GLY A 77 7.417 11.628 7.402 1.00 0.00 O ATOM 0 H GLY A 77 4.857 11.251 10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.247 12.801 9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.666 11.854 10.013 1.00 0.00 H new ATOM 1265 N THR A 78 5.796 10.191 7.960 1.00 0.00 N ATOM 1266 CA THR A 78 5.733 9.541 6.642 1.00 0.00 C ATOM 1267 C THR A 78 5.482 10.483 5.470 1.00 0.00 C ATOM 1268 O THR A 78 4.546 11.284 5.443 1.00 0.00 O ATOM 1269 CB THR A 78 4.693 8.424 6.614 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.793 7.681 5.421 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.232 8.826 6.793 1.00 0.00 C ATOM 0 H THR A 78 5.135 9.809 8.637 1.00 0.00 H new ATOM 0 HA THR A 78 6.734 9.132 6.506 1.00 0.00 H new ATOM 0 HB THR A 78 4.948 7.842 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.235 6.878 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.602 7.937 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.105 9.317 7.758 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.943 9.512 5.997 1.00 0.00 H new ATOM 1279 N LYS A 79 6.284 10.251 4.433 1.00 0.00 N ATOM 1280 CA LYS A 79 6.189 10.812 3.083 1.00 0.00 C ATOM 1281 C LYS A 79 4.917 10.363 2.338 1.00 0.00 C ATOM 1282 O LYS A 79 4.505 11.016 1.381 1.00 0.00 O ATOM 1283 CB LYS A 79 7.488 10.407 2.362 1.00 0.00 C ATOM 1284 CG LYS A 79 8.262 11.554 1.702 1.00 0.00 C ATOM 1285 CD LYS A 79 7.839 11.844 0.250 1.00 0.00 C ATOM 1286 CE LYS A 79 9.057 11.825 -0.687 1.00 0.00 C ATOM 1287 NZ LYS A 79 9.588 10.453 -0.887 1.00 0.00 N ATOM 0 H LYS A 79 7.079 9.618 4.519 1.00 0.00 H new ATOM 0 HA LYS A 79 6.093 11.897 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.144 9.916 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.244 9.670 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.127 12.458 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.326 11.317 1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.111 11.101 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.348 12.816 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.778 12.249 -1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.841 12.460 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.408 10.488 -1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.879 10.056 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.849 9.852 -1.305 1.00 0.00 H new ATOM 1301 N MET A 80 4.238 9.311 2.818 1.00 0.00 N ATOM 1302 CA MET A 80 2.864 8.969 2.457 1.00 0.00 C ATOM 1303 C MET A 80 1.877 9.982 3.064 1.00 0.00 C ATOM 1304 O MET A 80 1.176 9.709 4.039 1.00 0.00 O ATOM 1305 CB MET A 80 2.580 7.511 2.859 1.00 0.00 C ATOM 1306 CG MET A 80 1.176 7.080 2.428 1.00 0.00 C ATOM 1307 SD MET A 80 1.006 5.328 1.974 1.00 0.00 S ATOM 1308 CE MET A 80 -0.737 5.063 2.357 1.00 0.00 C ATOM 0 H MET A 80 4.646 8.659 3.487 1.00 0.00 H new ATOM 0 HA MET A 80 2.727 9.035 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.321 6.855 2.402 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.681 7.403 3.939 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.482 7.297 3.240 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.872 7.690 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.993 4.018 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.922 5.314 3.401 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.351 5.697 1.717 1.00 0.00 H new ATOM 1318 N ALA A 81 1.815 11.171 2.460 1.00 0.00 N ATOM 1319 CA ALA A 81 1.117 12.357 2.964 1.00 0.00 C ATOM 1320 C ALA A 81 -0.410 12.241 3.160 1.00 0.00 C ATOM 1321 O ALA A 81 -1.021 13.171 3.679 1.00 0.00 O ATOM 1322 CB ALA A 81 1.491 13.537 2.056 1.00 0.00 C ATOM 0 H ALA A 81 2.272 11.341 1.564 1.00 0.00 H new ATOM 0 HA ALA A 81 1.458 12.504 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.987 14.438 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.570 13.691 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.182 13.321 1.033 1.00 0.00 H new ATOM 1328 N PHE A 82 -0.976 11.086 2.818 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.358 10.592 2.916 1.00 0.00 C ATOM 1330 C PHE A 82 -2.952 10.657 4.356 1.00 0.00 C ATOM 1331 O PHE A 82 -3.023 11.728 4.959 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.320 9.186 2.270 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.610 8.385 2.250 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.776 8.910 1.665 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -3.640 7.105 2.841 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.974 8.170 1.702 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -4.828 6.360 2.854 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.002 6.902 2.306 1.00 0.00 C ATOM 0 H PHE A 82 -0.389 10.363 2.402 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.062 11.233 2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.979 9.299 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.567 8.597 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.753 9.879 1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.744 6.697 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.873 8.578 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.840 5.370 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.926 6.344 2.349 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.432 9.550 4.934 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.038 9.562 6.272 1.00 0.00 C ATOM 1350 C GLY A 83 -4.753 8.287 6.725 1.00 0.00 C ATOM 1351 O GLY A 83 -4.823 8.068 7.928 1.00 0.00 O ATOM 0 H GLY A 83 -3.413 8.630 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.255 9.786 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.753 10.383 6.312 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.230 7.432 5.812 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.774 6.104 6.140 1.00 0.00 C ATOM 1357 C GLY A 84 -7.215 5.848 5.679 1.00 0.00 C ATOM 1358 O GLY A 84 -7.980 6.759 5.356 1.00 0.00 O ATOM 0 H GLY A 84 -5.250 7.643 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.129 5.346 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.727 5.968 7.220 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.593 4.565 5.676 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.870 3.986 5.254 1.00 0.00 C ATOM 1364 C LEU A 85 -9.668 3.414 6.446 1.00 0.00 C ATOM 1365 O LEU A 85 -9.678 2.215 6.740 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.609 2.919 4.176 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.091 3.412 2.812 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -7.989 2.227 1.852 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.024 4.426 2.154 1.00 0.00 C ATOM 0 H LEU A 85 -6.952 3.840 5.999 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.490 4.775 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.888 2.205 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.538 2.373 4.008 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.127 3.884 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.623 2.572 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.299 1.488 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.973 1.775 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.606 4.737 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.001 3.970 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.131 5.296 2.802 1.00 0.00 H new ATOM 1381 N LYS A 86 -10.399 4.313 7.107 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.290 4.118 8.270 1.00 0.00 C ATOM 1383 C LYS A 86 -12.564 3.258 8.064 1.00 0.00 C ATOM 1384 O LYS A 86 -13.552 3.471 8.764 1.00 0.00 O ATOM 1385 CB LYS A 86 -11.599 5.507 8.868 1.00 0.00 C ATOM 1386 CG LYS A 86 -12.365 6.460 7.928 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.479 7.862 8.547 1.00 0.00 C ATOM 1388 CE LYS A 86 -13.208 8.813 7.590 1.00 0.00 C ATOM 1389 NZ LYS A 86 -13.225 10.204 8.111 1.00 0.00 N ATOM 0 H LYS A 86 -10.386 5.292 6.820 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.739 3.490 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.181 5.373 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.660 5.980 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.852 6.522 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.361 6.062 7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.017 7.806 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.485 8.250 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.720 8.795 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.231 8.467 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.726 10.820 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.713 10.225 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.249 10.542 8.230 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.592 2.300 7.133 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.683 1.314 7.004 1.00 0.00 C ATOM 1405 C LYS A 87 -13.127 -0.062 6.637 1.00 0.00 C ATOM 1406 O LYS A 87 -12.363 -0.173 5.686 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.703 1.778 5.948 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.709 2.817 6.473 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.919 2.972 5.536 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.888 4.020 6.100 1.00 0.00 C ATOM 1411 NZ LYS A 87 -19.164 4.075 5.338 1.00 0.00 N ATOM 0 H LYS A 87 -11.854 2.181 6.439 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.188 1.235 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.166 2.202 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.250 0.911 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.053 2.520 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.211 3.780 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.584 3.271 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.429 2.015 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.100 3.791 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.412 5.000 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.786 4.796 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.966 4.320 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.633 3.148 5.379 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.549 -1.110 7.353 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.066 -2.480 7.090 1.00 0.00 C ATOM 1427 C GLU A 88 -13.303 -2.889 5.626 1.00 0.00 C ATOM 1428 O GLU A 88 -12.376 -3.311 4.958 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.647 -3.516 8.086 1.00 0.00 C ATOM 1430 CG GLU A 88 -15.018 -4.079 7.672 1.00 0.00 C ATOM 1431 CD GLU A 88 -15.652 -5.108 8.594 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.942 -5.742 9.403 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -16.871 -5.326 8.390 1.00 0.00 O ATOM 0 H GLU A 88 -14.221 -1.042 8.117 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.989 -2.472 7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.942 -4.341 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.738 -3.050 9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.710 -3.243 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.915 -4.528 6.684 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.536 -2.755 5.118 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.979 -3.313 3.834 1.00 0.00 C ATOM 1442 C LYS A 89 -14.213 -2.673 2.680 1.00 0.00 C ATOM 1443 O LYS A 89 -13.642 -3.356 1.847 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.506 -3.170 3.696 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.261 -3.583 4.976 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.739 -3.933 4.749 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.537 -4.091 6.061 1.00 0.00 C ATOM 1448 NZ LYS A 89 -19.098 -5.236 6.901 1.00 0.00 N ATOM 0 H LYS A 89 -15.272 -2.241 5.602 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.754 -4.379 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.749 -2.136 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.850 -3.782 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.759 -4.443 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.199 -2.770 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.201 -3.154 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.802 -4.860 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -19.448 -3.173 6.641 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.593 -4.214 5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.908 -5.599 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.724 -5.991 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.355 -4.921 7.557 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.134 -1.349 2.762 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.324 -0.437 1.946 1.00 0.00 C ATOM 1464 C ASP A 90 -11.862 -0.912 1.830 1.00 0.00 C ATOM 1465 O ASP A 90 -11.358 -1.130 0.728 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.447 0.954 2.596 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.103 2.139 1.695 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -13.478 2.128 0.506 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -12.624 3.166 2.239 1.00 0.00 O ATOM 0 H ASP A 90 -14.679 -0.839 3.458 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.685 -0.407 0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.469 1.078 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.797 0.985 3.470 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.187 -1.164 2.962 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.861 -1.806 2.958 1.00 0.00 C ATOM 1476 C ARG A 91 -9.867 -3.239 2.436 1.00 0.00 C ATOM 1477 O ARG A 91 -8.934 -3.608 1.741 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.232 -1.833 4.353 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.889 -0.436 4.861 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.799 -0.483 5.934 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.077 -1.468 6.985 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.666 -1.266 8.140 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -9.288 -0.153 8.428 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -8.606 -2.201 9.044 1.00 0.00 N ATOM 0 H ARG A 91 -11.536 -0.934 3.892 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.275 -1.187 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.920 -2.312 5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.328 -2.441 4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.555 0.184 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.784 0.034 5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.844 -0.719 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.697 0.504 6.385 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.777 -2.424 6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.329 0.601 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.733 -0.038 9.339 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.108 -3.069 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.057 -2.065 9.949 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.834 -4.070 2.794 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.811 -5.495 2.475 1.00 0.00 C ATOM 1500 C ASN A 92 -11.032 -5.769 0.981 1.00 0.00 C ATOM 1501 O ASN A 92 -10.360 -6.633 0.421 1.00 0.00 O ATOM 1502 CB ASN A 92 -11.830 -6.238 3.337 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.543 -6.134 4.822 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.436 -5.931 5.288 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.543 -6.334 5.646 1.00 0.00 N ATOM 0 H ASN A 92 -11.660 -3.777 3.315 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.814 -5.870 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.825 -5.840 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.843 -7.289 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.385 -6.318 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.479 -6.506 5.280 1.00 0.00 H new ATOM 1512 N ASP A 93 -11.902 -5.007 0.315 1.00 0.00 N ATOM 1513 CA ASP A 93 -11.972 -4.901 -1.145 1.00 0.00 C ATOM 1514 C ASP A 93 -10.616 -4.490 -1.737 1.00 0.00 C ATOM 1515 O ASP A 93 -10.120 -5.157 -2.649 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.056 -3.895 -1.563 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.465 -4.482 -1.529 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.829 -5.248 -2.456 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.283 -4.130 -0.656 1.00 0.00 O ATOM 0 H ASP A 93 -12.597 -4.430 0.789 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.233 -5.884 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.014 -3.029 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.842 -3.538 -2.570 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.000 -3.418 -1.221 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.706 -2.926 -1.701 1.00 0.00 C ATOM 1526 C LEU A 94 -7.581 -3.962 -1.544 1.00 0.00 C ATOM 1527 O LEU A 94 -6.833 -4.180 -2.488 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.355 -1.615 -0.987 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.205 -0.865 -1.686 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.715 -0.044 -2.873 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -6.562 0.096 -0.699 1.00 0.00 C ATOM 0 H LEU A 94 -10.389 -2.867 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.799 -2.741 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.236 -0.975 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.074 -1.828 0.044 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.490 -1.607 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.879 0.473 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.187 -0.707 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.443 0.688 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.747 0.629 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.307 0.812 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.170 -0.463 0.151 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.475 -4.630 -0.392 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.559 -5.744 -0.110 1.00 0.00 C ATOM 1545 C ILE A 95 -6.816 -6.899 -1.082 1.00 0.00 C ATOM 1546 O ILE A 95 -5.883 -7.322 -1.763 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.684 -6.172 1.372 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.094 -5.074 2.290 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -5.978 -7.512 1.653 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.625 -5.142 3.727 1.00 0.00 C ATOM 0 H ILE A 95 -8.056 -4.397 0.413 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.529 -5.422 -0.265 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.745 -6.306 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.008 -5.167 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.324 -4.095 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.093 -7.770 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.422 -8.294 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.918 -7.422 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.174 -4.346 4.320 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.708 -5.020 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.371 -6.108 4.163 1.00 0.00 H new ATOM 1562 N THR A 96 -8.070 -7.366 -1.192 1.00 0.00 N ATOM 1563 CA THR A 96 -8.489 -8.401 -2.161 1.00 0.00 C ATOM 1564 C THR A 96 -7.959 -8.099 -3.566 1.00 0.00 C ATOM 1565 O THR A 96 -7.386 -8.970 -4.214 1.00 0.00 O ATOM 1566 CB THR A 96 -10.024 -8.557 -2.226 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.573 -8.872 -0.968 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.464 -9.693 -3.150 1.00 0.00 C ATOM 0 H THR A 96 -8.834 -7.033 -0.604 1.00 0.00 H new ATOM 0 HA THR A 96 -8.060 -9.337 -1.804 1.00 0.00 H new ATOM 0 HB THR A 96 -10.376 -7.594 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.692 -8.050 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.552 -9.756 -3.157 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.106 -9.499 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.048 -10.635 -2.792 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.122 -6.860 -4.035 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.555 -6.371 -5.294 1.00 0.00 C ATOM 1578 C TYR A 97 -6.025 -6.386 -5.299 1.00 0.00 C ATOM 1579 O TYR A 97 -5.437 -6.988 -6.189 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.079 -4.966 -5.592 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.307 -4.249 -6.680 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.426 -4.674 -8.016 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.414 -3.212 -6.349 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.720 -4.010 -9.033 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.666 -2.579 -7.362 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.854 -2.946 -8.711 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.200 -2.298 -9.706 1.00 0.00 O ATOM 0 H TYR A 97 -8.664 -6.153 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.876 -7.055 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.127 -5.033 -5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.041 -4.372 -4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.061 -5.512 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.302 -2.902 -5.320 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.841 -4.315 -10.062 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.949 -1.813 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.035 -1.370 -9.439 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.370 -5.735 -4.336 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.912 -5.539 -4.322 1.00 0.00 C ATOM 1599 C LEU A 98 -3.136 -6.854 -4.309 1.00 0.00 C ATOM 1600 O LEU A 98 -2.111 -6.995 -4.980 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.502 -4.706 -3.088 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.510 -3.585 -3.423 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.283 -2.316 -3.782 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.634 -3.291 -2.207 1.00 0.00 C ATOM 0 H LEU A 98 -5.840 -5.322 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.661 -5.014 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.394 -4.271 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.058 -5.366 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.888 -3.899 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.581 -1.517 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.919 -2.510 -4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.901 -2.015 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.931 -2.494 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.262 -2.979 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.083 -4.190 -1.930 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.675 -7.804 -3.542 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.318 -9.213 -3.532 1.00 0.00 C ATOM 1618 C LYS A 99 -3.468 -9.785 -4.941 1.00 0.00 C ATOM 1619 O LYS A 99 -2.469 -10.205 -5.506 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.186 -9.922 -2.480 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.748 -11.370 -2.269 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.639 -12.073 -1.239 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.090 -13.465 -0.908 1.00 0.00 C ATOM 1624 NZ LYS A 99 -4.286 -14.425 -2.019 1.00 0.00 N ATOM 0 H LYS A 99 -4.416 -7.591 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.276 -9.366 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.126 -9.382 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.230 -9.900 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.789 -11.907 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.711 -11.394 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.696 -11.474 -0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.654 -12.160 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.027 -13.389 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.582 -13.844 -0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.014 -15.119 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.591 -13.912 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.391 -14.919 -2.213 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.656 -9.686 -5.556 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.969 -10.258 -6.888 1.00 0.00 C ATOM 1640 C LYS A 100 -4.255 -9.588 -8.076 1.00 0.00 C ATOM 1641 O LYS A 100 -4.328 -10.063 -9.205 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.492 -10.272 -7.093 1.00 0.00 C ATOM 1643 CG LYS A 100 -7.046 -11.371 -8.022 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.749 -12.798 -7.525 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.464 -13.349 -8.153 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.719 -14.238 -7.232 1.00 0.00 N ATOM 0 H LYS A 100 -5.447 -9.197 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.573 -11.274 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.968 -10.377 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.792 -9.303 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.124 -11.245 -8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.619 -11.245 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.654 -12.795 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.586 -13.452 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.714 -13.898 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.823 -12.519 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.905 -14.651 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.383 -13.689 -6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.346 -15.000 -6.902 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.622 -8.450 -7.806 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.747 -7.676 -8.684 1.00 0.00 C ATOM 1662 C ALA A 101 -1.249 -8.014 -8.503 1.00 0.00 C ATOM 1663 O ALA A 101 -0.415 -7.507 -9.254 1.00 0.00 O ATOM 1664 CB ALA A 101 -3.022 -6.182 -8.440 1.00 0.00 C ATOM 0 H ALA A 101 -3.715 -8.008 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.973 -7.939 -9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.379 -5.584 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.066 -5.963 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.816 -5.940 -7.397 1.00 0.00 H new ATOM 1670 N THR A 102 -0.900 -8.860 -7.525 1.00 0.00 N ATOM 1671 CA THR A 102 0.473 -9.258 -7.154 1.00 0.00 C ATOM 1672 C THR A 102 0.675 -10.777 -7.222 1.00 0.00 C ATOM 1673 O THR A 102 1.735 -11.237 -7.647 1.00 0.00 O ATOM 1674 CB THR A 102 0.800 -8.755 -5.739 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.778 -7.346 -5.702 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.191 -9.173 -5.266 1.00 0.00 C ATOM 0 H THR A 102 -1.601 -9.311 -6.938 1.00 0.00 H new ATOM 0 HA THR A 102 1.150 -8.803 -7.877 1.00 0.00 H new ATOM 0 HB THR A 102 0.043 -9.197 -5.091 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.124 -7.039 -5.474 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.364 -8.789 -4.261 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.260 -10.261 -5.255 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.943 -8.768 -5.944 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.350 -11.546 -6.852 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.506 -13.006 -6.992 1.00 0.00 C ATOM 1686 C GLU A 103 -1.869 -13.332 -7.593 1.00 0.00 C ATOM 1687 O GLU A 103 -2.114 -14.500 -7.960 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.310 -13.715 -5.635 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.318 -13.373 -4.515 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.593 -14.243 -4.459 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.547 -15.322 -3.826 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -3.731 -13.774 -4.735 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.719 -12.419 -7.639 1.00 0.00 O ATOM 0 H GLU A 103 -1.169 -11.132 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 103 0.265 -13.375 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.345 -14.791 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.691 -13.483 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.806 -13.453 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.618 -12.331 -4.630 1.00 0.00 H new