USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 435 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 44 ASN : amide:sc= -3.55! K(o=-4.8!,f=-9.3) USER MOD Set 1.2: A 45 ASN :FLIP amide:sc= -1.26 F(o=-5.6,f=-4.8) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= -3.58! USER MOD Single : A 17 SER OG : rot 82:sc= 0.385 USER MOD Single : A 19 TYR OH : rot -12:sc= 0.958 USER MOD Single : A 22 LYS NZ :NH3+ -155:sc= -0.139 (180deg=-0.672) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.15) USER MOD Single : A 27 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.074) USER MOD Single : A 31 SER OG : rot 90:sc= 0.033 USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= -0.0536 (180deg=-0.0674) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0964) USER MOD Single : A 42 MET CE :methyl -160:sc= -0.0775 (180deg=-0.302) USER MOD Single : A 46 THR OG1 : rot -138:sc= 0.199 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -0.145 (180deg=-1.75!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.225 F(o=-4.4!,f=-0.22) USER MOD Single : A 54 TYR OH : rot -53:sc= 1.02 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0233 (180deg=-0.275) USER MOD Single : A 57 LYS NZ :NH3+ 158:sc= -0.0928 (180deg=-0.657) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.109) USER MOD ----------------------------------------------------------------- ATOM 85 N PRO A 8 0.181 0.187 -1.095 1.00 0.00 N ATOM 86 CA PRO A 8 0.105 1.285 -0.071 1.00 0.00 C ATOM 87 C PRO A 8 -0.299 2.678 -0.638 1.00 0.00 C ATOM 88 O PRO A 8 -0.634 2.768 -1.801 1.00 0.00 O ATOM 89 CB PRO A 8 1.514 1.268 0.566 1.00 0.00 C ATOM 90 CG PRO A 8 2.406 0.807 -0.596 1.00 0.00 C ATOM 91 CD PRO A 8 1.580 -0.341 -1.187 1.00 0.00 C ATOM 0 HA PRO A 8 -0.694 1.111 0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.804 2.253 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.567 0.584 1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.578 1.603 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.385 0.472 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.865 -0.558 -2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.704 -1.264 -0.620 1.00 0.00 H new ATOM 99 N PRO A 9 -0.269 3.709 0.194 1.00 0.00 N ATOM 100 CA PRO A 9 -0.210 5.157 -0.190 1.00 0.00 C ATOM 101 C PRO A 9 0.368 5.560 -1.569 1.00 0.00 C ATOM 102 O PRO A 9 0.866 4.747 -2.320 1.00 0.00 O ATOM 103 CB PRO A 9 0.549 5.816 1.003 1.00 0.00 C ATOM 104 CG PRO A 9 0.816 4.652 2.009 1.00 0.00 C ATOM 105 CD PRO A 9 -0.276 3.629 1.683 1.00 0.00 C ATOM 0 HA PRO A 9 -1.229 5.509 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.482 6.273 0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.047 6.605 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.812 4.230 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.749 4.993 3.042 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.034 2.631 2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.242 3.899 2.110 1.00 0.00 H new ATOM 113 N SER A 10 0.281 6.840 -1.840 1.00 0.00 N ATOM 114 CA SER A 10 0.785 7.404 -3.139 1.00 0.00 C ATOM 115 C SER A 10 1.920 8.442 -3.040 1.00 0.00 C ATOM 116 O SER A 10 2.922 8.313 -3.712 1.00 0.00 O ATOM 117 CB SER A 10 -0.411 8.038 -3.869 1.00 0.00 C ATOM 118 OG SER A 10 -1.327 6.966 -4.025 1.00 0.00 O ATOM 0 H SER A 10 -0.124 7.531 -1.208 1.00 0.00 H new ATOM 0 HA SER A 10 1.230 6.565 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.845 8.853 -3.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.116 8.454 -4.832 1.00 0.00 H new ATOM 0 HG SER A 10 -2.130 7.287 -4.486 1.00 0.00 H new ATOM 124 N ALA A 11 1.698 9.420 -2.199 1.00 0.00 N ATOM 125 CA ALA A 11 2.621 10.580 -1.909 1.00 0.00 C ATOM 126 C ALA A 11 1.627 11.678 -1.505 1.00 0.00 C ATOM 127 O ALA A 11 1.793 12.446 -0.576 1.00 0.00 O ATOM 128 CB ALA A 11 3.366 11.057 -3.161 1.00 0.00 C ATOM 0 H ALA A 11 0.838 9.467 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 11 3.384 10.325 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.017 11.892 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.966 10.240 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.645 11.379 -3.913 1.00 0.00 H new ATOM 134 N PHE A 12 0.591 11.660 -2.295 1.00 0.00 N ATOM 135 CA PHE A 12 -0.571 12.556 -2.203 1.00 0.00 C ATOM 136 C PHE A 12 -1.315 12.219 -0.910 1.00 0.00 C ATOM 137 O PHE A 12 -2.050 13.034 -0.393 1.00 0.00 O ATOM 138 CB PHE A 12 -1.389 12.274 -3.470 1.00 0.00 C ATOM 139 CG PHE A 12 -2.852 12.631 -3.285 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.244 13.931 -3.040 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.791 11.639 -3.358 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.577 14.226 -2.872 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.112 11.924 -3.192 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.517 13.222 -2.949 1.00 0.00 C ATOM 0 H PHE A 12 0.511 10.995 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.331 13.618 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.978 12.844 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.302 11.220 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.505 14.716 -2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.482 10.622 -3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.886 15.243 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.845 11.133 -3.250 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.565 13.449 -2.820 1.00 0.00 H new ATOM 154 N PHE A 13 -1.093 11.026 -0.419 1.00 0.00 N ATOM 155 CA PHE A 13 -1.777 10.604 0.833 1.00 0.00 C ATOM 156 C PHE A 13 -1.259 11.422 2.032 1.00 0.00 C ATOM 157 O PHE A 13 -2.053 11.929 2.797 1.00 0.00 O ATOM 158 CB PHE A 13 -1.518 9.107 1.075 1.00 0.00 C ATOM 159 CG PHE A 13 -2.639 8.586 1.989 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.834 8.174 1.425 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.490 8.534 3.361 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.866 7.720 2.218 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.521 8.079 4.158 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.710 7.672 3.586 1.00 0.00 C ATOM 0 H PHE A 13 -0.470 10.331 -0.831 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.848 10.780 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.509 8.562 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.543 8.957 1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.959 8.209 0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.562 8.851 3.813 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.795 7.403 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.398 8.041 5.230 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.517 7.317 4.210 1.00 0.00 H new ATOM 174 N LEU A 14 0.042 11.535 2.158 1.00 0.00 N ATOM 175 CA LEU A 14 0.650 12.302 3.286 1.00 0.00 C ATOM 176 C LEU A 14 0.024 13.708 3.331 1.00 0.00 C ATOM 177 O LEU A 14 -0.596 14.122 4.292 1.00 0.00 O ATOM 178 CB LEU A 14 2.205 12.416 3.081 1.00 0.00 C ATOM 179 CG LEU A 14 3.034 11.068 2.954 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.655 9.995 3.994 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.040 10.465 1.526 1.00 0.00 C ATOM 0 H LEU A 14 0.717 11.121 1.515 1.00 0.00 H new ATOM 0 HA LEU A 14 0.458 11.784 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.382 13.005 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.613 12.983 3.918 1.00 0.00 H new ATOM 0 HG LEU A 14 4.054 11.383 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.266 9.106 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.828 10.384 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.602 9.735 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.627 9.546 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.017 10.244 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.480 11.180 0.831 1.00 0.00 H new ATOM 193 N PHE A 15 0.223 14.388 2.237 1.00 0.00 N ATOM 194 CA PHE A 15 -0.290 15.772 2.054 1.00 0.00 C ATOM 195 C PHE A 15 -1.832 15.825 2.292 1.00 0.00 C ATOM 196 O PHE A 15 -2.326 16.663 3.029 1.00 0.00 O ATOM 197 CB PHE A 15 0.256 16.122 0.630 1.00 0.00 C ATOM 198 CG PHE A 15 -0.588 17.004 -0.281 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.656 16.434 -0.943 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.272 18.339 -0.490 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.396 17.180 -1.812 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.031 19.085 -1.369 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.090 18.499 -2.028 1.00 0.00 C ATOM 0 H PHE A 15 0.739 14.027 1.435 1.00 0.00 H new ATOM 0 HA PHE A 15 0.040 16.528 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.223 16.608 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.438 15.184 0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.906 15.397 -0.773 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.560 18.790 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.228 16.729 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.796 20.125 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.682 19.082 -2.718 1.00 0.00 H new ATOM 213 N CYS A 16 -2.560 14.930 1.670 1.00 0.00 N ATOM 214 CA CYS A 16 -4.049 14.887 1.841 1.00 0.00 C ATOM 215 C CYS A 16 -4.424 14.837 3.315 1.00 0.00 C ATOM 216 O CYS A 16 -5.228 15.628 3.771 1.00 0.00 O ATOM 217 CB CYS A 16 -4.641 13.639 1.144 1.00 0.00 C ATOM 218 SG CYS A 16 -6.278 13.098 1.709 1.00 0.00 S ATOM 0 H CYS A 16 -2.183 14.219 1.044 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.455 15.792 1.390 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.698 13.840 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.944 12.812 1.276 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.644 12.048 1.036 1.00 0.00 H new ATOM 223 N SER A 17 -3.826 13.900 4.004 1.00 0.00 N ATOM 224 CA SER A 17 -4.100 13.742 5.452 1.00 0.00 C ATOM 225 C SER A 17 -3.903 15.061 6.187 1.00 0.00 C ATOM 226 O SER A 17 -4.802 15.539 6.849 1.00 0.00 O ATOM 227 CB SER A 17 -3.159 12.698 6.032 1.00 0.00 C ATOM 228 OG SER A 17 -3.530 11.491 5.382 1.00 0.00 O ATOM 0 H SER A 17 -3.156 13.236 3.617 1.00 0.00 H new ATOM 0 HA SER A 17 -5.135 13.425 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.117 12.950 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.271 12.618 7.113 1.00 0.00 H new ATOM 0 HG SER A 17 -3.099 11.447 4.503 1.00 0.00 H new ATOM 234 N GLU A 18 -2.711 15.584 6.020 1.00 0.00 N ATOM 235 CA GLU A 18 -2.282 16.868 6.637 1.00 0.00 C ATOM 236 C GLU A 18 -3.428 17.877 6.735 1.00 0.00 C ATOM 237 O GLU A 18 -3.633 18.442 7.793 1.00 0.00 O ATOM 238 CB GLU A 18 -1.123 17.442 5.802 1.00 0.00 C ATOM 239 CG GLU A 18 -0.538 18.684 6.506 1.00 0.00 C ATOM 240 CD GLU A 18 0.686 19.187 5.721 1.00 0.00 C ATOM 241 OE1 GLU A 18 1.675 18.474 5.760 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.567 20.249 5.129 1.00 0.00 O ATOM 0 H GLU A 18 -1.987 15.145 5.451 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.956 16.674 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.347 16.687 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.477 17.710 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.292 19.469 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.251 18.435 7.528 1.00 0.00 H new ATOM 249 N TYR A 19 -4.136 18.073 5.641 1.00 0.00 N ATOM 250 CA TYR A 19 -5.265 19.055 5.694 1.00 0.00 C ATOM 251 C TYR A 19 -6.584 18.493 5.149 1.00 0.00 C ATOM 252 O TYR A 19 -7.345 19.170 4.486 1.00 0.00 O ATOM 253 CB TYR A 19 -4.776 20.310 4.926 1.00 0.00 C ATOM 254 CG TYR A 19 -4.584 20.103 3.418 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.417 19.574 2.894 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.598 20.473 2.559 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.282 19.429 1.527 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.460 20.325 1.202 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.305 19.804 0.675 1.00 0.00 C ATOM 260 OH TYR A 19 -4.185 19.683 -0.692 1.00 0.00 O ATOM 0 H TYR A 19 -3.986 17.611 4.744 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.509 19.303 6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.493 21.116 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.830 20.638 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.614 19.276 3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.512 20.885 2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.370 19.019 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.265 20.620 0.545 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.251 19.496 -0.923 1.00 0.00 H new ATOM 270 N ARG A 20 -6.824 17.247 5.471 1.00 0.00 N ATOM 271 CA ARG A 20 -8.072 16.568 5.014 1.00 0.00 C ATOM 272 C ARG A 20 -9.270 17.246 5.720 1.00 0.00 C ATOM 273 O ARG A 20 -10.232 17.582 5.057 1.00 0.00 O ATOM 274 CB ARG A 20 -8.018 15.062 5.388 1.00 0.00 C ATOM 275 CG ARG A 20 -9.183 14.311 4.711 1.00 0.00 C ATOM 276 CD ARG A 20 -9.294 12.880 5.286 1.00 0.00 C ATOM 277 NE ARG A 20 -7.972 12.190 5.179 1.00 0.00 N ATOM 278 CZ ARG A 20 -7.419 11.662 6.240 1.00 0.00 C ATOM 279 NH1 ARG A 20 -7.013 12.435 7.211 1.00 0.00 N ATOM 280 NH2 ARG A 20 -7.289 10.364 6.297 1.00 0.00 N ATOM 0 H ARG A 20 -6.203 16.667 6.036 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.176 16.651 3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.066 14.634 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.078 14.945 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.117 14.850 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.022 14.268 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.611 12.920 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.054 12.318 4.743 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.500 12.131 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.128 13.446 7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.581 12.028 8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.616 9.784 5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.861 9.930 7.115 1.00 0.00 H new ATOM 294 N PRO A 21 -9.199 17.448 7.026 1.00 0.00 N ATOM 295 CA PRO A 21 -10.339 17.992 7.815 1.00 0.00 C ATOM 296 C PRO A 21 -10.732 19.366 7.260 1.00 0.00 C ATOM 297 O PRO A 21 -11.894 19.651 7.064 1.00 0.00 O ATOM 298 CB PRO A 21 -9.820 18.030 9.263 1.00 0.00 C ATOM 299 CG PRO A 21 -8.734 16.928 9.262 1.00 0.00 C ATOM 300 CD PRO A 21 -8.032 17.186 7.928 1.00 0.00 C ATOM 0 HA PRO A 21 -11.249 17.395 7.762 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.407 19.006 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.611 17.819 9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.053 17.023 10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.165 15.928 9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.353 18.037 7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.444 16.329 7.601 1.00 0.00 H new ATOM 308 N LYS A 22 -9.741 20.186 7.021 1.00 0.00 N ATOM 309 CA LYS A 22 -10.003 21.553 6.476 1.00 0.00 C ATOM 310 C LYS A 22 -10.867 21.541 5.199 1.00 0.00 C ATOM 311 O LYS A 22 -11.647 22.454 5.003 1.00 0.00 O ATOM 312 CB LYS A 22 -8.642 22.244 6.190 1.00 0.00 C ATOM 313 CG LYS A 22 -8.881 23.631 5.515 1.00 0.00 C ATOM 314 CD LYS A 22 -7.581 24.467 5.469 1.00 0.00 C ATOM 315 CE LYS A 22 -7.271 25.070 6.857 1.00 0.00 C ATOM 316 NZ LYS A 22 -8.351 26.022 7.260 1.00 0.00 N ATOM 0 H LYS A 22 -8.758 19.967 7.180 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.571 22.105 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.088 22.373 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.034 21.614 5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.257 23.485 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.648 24.177 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.750 23.840 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.682 25.266 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.184 24.274 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.312 25.587 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.969 26.715 7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.708 26.519 6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.129 25.496 7.707 1.00 0.00 H new ATOM 330 N ILE A 23 -10.745 20.533 4.366 1.00 0.00 N ATOM 331 CA ILE A 23 -11.577 20.536 3.123 1.00 0.00 C ATOM 332 C ILE A 23 -12.964 20.084 3.538 1.00 0.00 C ATOM 333 O ILE A 23 -13.968 20.694 3.248 1.00 0.00 O ATOM 334 CB ILE A 23 -11.044 19.533 2.072 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.512 19.687 1.898 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.775 19.835 0.727 1.00 0.00 C ATOM 337 CD1 ILE A 23 -8.998 18.610 0.935 1.00 0.00 C ATOM 0 H ILE A 23 -10.125 19.732 4.488 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.562 21.530 2.677 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.235 18.509 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.277 20.679 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.014 19.595 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.424 19.145 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.850 19.712 0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.563 20.859 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.920 18.717 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.221 17.623 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.487 18.724 -0.032 1.00 0.00 H new ATOM 349 N LYS A 24 -12.915 18.990 4.231 1.00 0.00 N ATOM 350 CA LYS A 24 -14.094 18.287 4.783 1.00 0.00 C ATOM 351 C LYS A 24 -15.055 19.224 5.523 1.00 0.00 C ATOM 352 O LYS A 24 -16.259 19.055 5.493 1.00 0.00 O ATOM 353 CB LYS A 24 -13.494 17.217 5.680 1.00 0.00 C ATOM 354 CG LYS A 24 -14.568 16.234 6.186 1.00 0.00 C ATOM 355 CD LYS A 24 -13.968 15.259 7.233 1.00 0.00 C ATOM 356 CE LYS A 24 -12.758 14.477 6.668 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.139 13.740 5.429 1.00 0.00 N ATOM 0 H LYS A 24 -12.035 18.523 4.451 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.724 17.860 4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.728 16.669 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.002 17.688 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.395 16.788 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.976 15.669 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.658 15.820 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.736 14.556 7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.942 15.167 6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.391 13.775 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.371 13.092 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.008 13.195 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.304 14.419 4.658 1.00 0.00 H new ATOM 371 N GLY A 25 -14.453 20.190 6.161 1.00 0.00 N ATOM 372 CA GLY A 25 -15.195 21.201 6.948 1.00 0.00 C ATOM 373 C GLY A 25 -15.834 22.283 6.082 1.00 0.00 C ATOM 374 O GLY A 25 -16.973 22.652 6.289 1.00 0.00 O ATOM 0 H GLY A 25 -13.441 20.319 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.972 20.703 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.515 21.669 7.660 1.00 0.00 H new ATOM 378 N GLU A 26 -15.070 22.755 5.136 1.00 0.00 N ATOM 379 CA GLU A 26 -15.545 23.818 4.207 1.00 0.00 C ATOM 380 C GLU A 26 -16.568 23.302 3.192 1.00 0.00 C ATOM 381 O GLU A 26 -17.517 23.989 2.865 1.00 0.00 O ATOM 382 CB GLU A 26 -14.322 24.389 3.471 1.00 0.00 C ATOM 383 CG GLU A 26 -13.290 24.956 4.475 1.00 0.00 C ATOM 384 CD GLU A 26 -13.753 26.309 5.048 1.00 0.00 C ATOM 385 OE1 GLU A 26 -14.674 26.295 5.850 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.155 27.295 4.648 1.00 0.00 O ATOM 0 H GLU A 26 -14.115 22.441 4.965 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.049 24.586 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.858 23.608 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.639 25.175 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.142 24.245 5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.327 25.079 3.980 1.00 0.00 H new ATOM 393 N HIS A 27 -16.341 22.102 2.726 1.00 0.00 N ATOM 394 CA HIS A 27 -17.229 21.450 1.725 1.00 0.00 C ATOM 395 C HIS A 27 -17.738 20.092 2.248 1.00 0.00 C ATOM 396 O HIS A 27 -17.277 19.051 1.819 1.00 0.00 O ATOM 397 CB HIS A 27 -16.404 21.299 0.433 1.00 0.00 C ATOM 398 CG HIS A 27 -15.804 22.670 0.104 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.483 23.714 -0.232 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.488 23.098 0.100 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.682 24.710 -0.431 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.431 24.371 -0.237 1.00 0.00 N ATOM 0 H HIS A 27 -15.547 21.529 3.011 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.119 22.050 1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.616 20.558 0.566 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.034 20.950 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.634 22.481 0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.004 25.699 -0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.602 24.959 -0.326 1.00 0.00 H new ATOM 410 N PRO A 28 -18.679 20.135 3.165 1.00 0.00 N ATOM 411 CA PRO A 28 -19.372 18.922 3.691 1.00 0.00 C ATOM 412 C PRO A 28 -20.405 18.384 2.673 1.00 0.00 C ATOM 413 O PRO A 28 -21.495 17.977 3.026 1.00 0.00 O ATOM 414 CB PRO A 28 -19.985 19.423 4.997 1.00 0.00 C ATOM 415 CG PRO A 28 -20.401 20.868 4.613 1.00 0.00 C ATOM 416 CD PRO A 28 -19.181 21.379 3.811 1.00 0.00 C ATOM 0 HA PRO A 28 -18.719 18.066 3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.838 18.820 5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -19.269 19.408 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -21.312 20.880 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -20.591 21.481 5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.465 22.132 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -18.430 21.832 4.458 1.00 0.00 H new ATOM 424 N GLY A 29 -19.998 18.408 1.430 1.00 0.00 N ATOM 425 CA GLY A 29 -20.812 17.941 0.278 1.00 0.00 C ATOM 426 C GLY A 29 -19.981 16.956 -0.554 1.00 0.00 C ATOM 427 O GLY A 29 -20.519 16.225 -1.364 1.00 0.00 O ATOM 0 H GLY A 29 -19.078 18.755 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.724 17.459 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.117 18.789 -0.336 1.00 0.00 H new ATOM 431 N LEU A 30 -18.689 16.968 -0.326 1.00 0.00 N ATOM 432 CA LEU A 30 -17.761 16.068 -1.058 1.00 0.00 C ATOM 433 C LEU A 30 -17.803 14.655 -0.448 1.00 0.00 C ATOM 434 O LEU A 30 -18.280 14.448 0.650 1.00 0.00 O ATOM 435 CB LEU A 30 -16.318 16.623 -0.944 1.00 0.00 C ATOM 436 CG LEU A 30 -16.171 18.104 -1.357 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.676 18.503 -1.301 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.745 18.406 -2.755 1.00 0.00 C ATOM 0 H LEU A 30 -18.236 17.580 0.353 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.064 16.018 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.978 16.510 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.658 16.018 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.754 18.695 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.567 19.548 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.301 18.368 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.106 17.875 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.610 19.463 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.224 17.804 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.808 18.164 -2.772 1.00 0.00 H new ATOM 450 N SER A 31 -17.286 13.739 -1.220 1.00 0.00 N ATOM 451 CA SER A 31 -17.198 12.299 -0.861 1.00 0.00 C ATOM 452 C SER A 31 -15.704 11.987 -0.825 1.00 0.00 C ATOM 453 O SER A 31 -14.900 12.834 -1.149 1.00 0.00 O ATOM 454 CB SER A 31 -17.865 11.449 -1.939 1.00 0.00 C ATOM 455 OG SER A 31 -19.175 11.983 -2.051 1.00 0.00 O ATOM 0 H SER A 31 -16.899 13.949 -2.140 1.00 0.00 H new ATOM 0 HA SER A 31 -17.693 12.086 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.327 11.514 -2.885 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.888 10.396 -1.657 1.00 0.00 H new ATOM 0 HG SER A 31 -19.181 12.697 -2.722 1.00 0.00 H new ATOM 461 N ILE A 32 -15.352 10.793 -0.441 1.00 0.00 N ATOM 462 CA ILE A 32 -13.907 10.404 -0.386 1.00 0.00 C ATOM 463 C ILE A 32 -13.280 10.433 -1.790 1.00 0.00 C ATOM 464 O ILE A 32 -12.081 10.331 -1.942 1.00 0.00 O ATOM 465 CB ILE A 32 -13.838 8.989 0.231 1.00 0.00 C ATOM 466 CG1 ILE A 32 -12.372 8.501 0.433 1.00 0.00 C ATOM 467 CG2 ILE A 32 -14.586 7.958 -0.665 1.00 0.00 C ATOM 468 CD1 ILE A 32 -11.553 9.476 1.314 1.00 0.00 C ATOM 0 H ILE A 32 -16.005 10.061 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.340 11.109 0.223 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.318 9.058 1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.379 7.514 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.888 8.396 -0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.524 6.969 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -15.632 8.249 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.126 7.933 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.537 9.097 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.523 10.457 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.021 9.561 2.295 1.00 0.00 H new ATOM 480 N GLY A 33 -14.137 10.576 -2.761 1.00 0.00 N ATOM 481 CA GLY A 33 -13.689 10.623 -4.188 1.00 0.00 C ATOM 482 C GLY A 33 -13.704 12.051 -4.737 1.00 0.00 C ATOM 483 O GLY A 33 -13.272 12.279 -5.847 1.00 0.00 O ATOM 0 H GLY A 33 -15.145 10.664 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.682 10.213 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.339 9.993 -4.795 1.00 0.00 H new ATOM 487 N ASP A 34 -14.180 12.974 -3.942 1.00 0.00 N ATOM 488 CA ASP A 34 -14.257 14.406 -4.353 1.00 0.00 C ATOM 489 C ASP A 34 -13.184 15.124 -3.556 1.00 0.00 C ATOM 490 O ASP A 34 -12.426 15.907 -4.083 1.00 0.00 O ATOM 491 CB ASP A 34 -15.648 14.950 -4.012 1.00 0.00 C ATOM 492 CG ASP A 34 -16.752 14.196 -4.777 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.631 14.106 -5.987 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.668 13.753 -4.102 1.00 0.00 O ATOM 0 H ASP A 34 -14.527 12.789 -3.001 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.101 14.544 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.822 14.862 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.695 16.011 -4.256 1.00 0.00 H new ATOM 499 N VAL A 35 -13.157 14.820 -2.290 1.00 0.00 N ATOM 500 CA VAL A 35 -12.162 15.422 -1.364 1.00 0.00 C ATOM 501 C VAL A 35 -10.789 14.976 -1.869 1.00 0.00 C ATOM 502 O VAL A 35 -9.811 15.680 -1.733 1.00 0.00 O ATOM 503 CB VAL A 35 -12.396 14.884 0.071 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.290 15.383 1.030 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.751 15.351 0.620 1.00 0.00 C ATOM 0 H VAL A 35 -13.800 14.163 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.243 16.509 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.377 13.796 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.474 14.994 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.319 15.035 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.297 16.473 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.890 14.960 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.777 16.440 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.550 14.985 -0.025 1.00 0.00 H new ATOM 515 N ALA A 36 -10.787 13.812 -2.463 1.00 0.00 N ATOM 516 CA ALA A 36 -9.547 13.213 -2.997 1.00 0.00 C ATOM 517 C ALA A 36 -9.286 13.681 -4.408 1.00 0.00 C ATOM 518 O ALA A 36 -8.157 13.982 -4.743 1.00 0.00 O ATOM 519 CB ALA A 36 -9.707 11.709 -2.954 1.00 0.00 C ATOM 0 H ALA A 36 -11.622 13.242 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.693 13.521 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.805 11.236 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.869 11.390 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.562 11.416 -3.564 1.00 0.00 H new ATOM 525 N LYS A 37 -10.319 13.727 -5.203 1.00 0.00 N ATOM 526 CA LYS A 37 -10.118 14.182 -6.594 1.00 0.00 C ATOM 527 C LYS A 37 -9.748 15.680 -6.650 1.00 0.00 C ATOM 528 O LYS A 37 -9.018 16.074 -7.537 1.00 0.00 O ATOM 529 CB LYS A 37 -11.412 13.864 -7.341 1.00 0.00 C ATOM 530 CG LYS A 37 -11.306 14.330 -8.788 1.00 0.00 C ATOM 531 CD LYS A 37 -12.358 13.624 -9.679 1.00 0.00 C ATOM 532 CE LYS A 37 -11.705 12.447 -10.450 1.00 0.00 C ATOM 533 NZ LYS A 37 -11.182 11.406 -9.521 1.00 0.00 N ATOM 0 H LYS A 37 -11.274 13.473 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.279 13.669 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.606 12.792 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.254 14.355 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.449 15.409 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.305 14.123 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.178 13.254 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.786 14.337 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.438 12.001 -11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.892 12.824 -11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.829 10.596 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.406 11.805 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.945 11.089 -8.889 1.00 0.00 H new ATOM 547 N LYS A 38 -10.228 16.478 -5.725 1.00 0.00 N ATOM 548 CA LYS A 38 -9.898 17.933 -5.738 1.00 0.00 C ATOM 549 C LYS A 38 -8.545 18.184 -5.099 1.00 0.00 C ATOM 550 O LYS A 38 -7.674 18.767 -5.716 1.00 0.00 O ATOM 551 CB LYS A 38 -10.948 18.735 -4.955 1.00 0.00 C ATOM 552 CG LYS A 38 -12.079 19.152 -5.897 1.00 0.00 C ATOM 553 CD LYS A 38 -13.093 20.002 -5.099 1.00 0.00 C ATOM 554 CE LYS A 38 -14.106 20.649 -6.061 1.00 0.00 C ATOM 555 NZ LYS A 38 -14.856 19.611 -6.824 1.00 0.00 N ATOM 0 H LYS A 38 -10.835 16.180 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.883 18.252 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.345 18.134 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.489 19.617 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.682 19.724 -6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.568 18.272 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.615 19.377 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.569 20.774 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.805 21.267 -5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.584 21.309 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.663 20.052 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.226 19.174 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.202 18.881 -6.169 1.00 0.00 H new ATOM 569 N LEU A 39 -8.375 17.737 -3.881 1.00 0.00 N ATOM 570 CA LEU A 39 -7.062 17.965 -3.222 1.00 0.00 C ATOM 571 C LEU A 39 -6.025 17.148 -4.051 1.00 0.00 C ATOM 572 O LEU A 39 -4.848 17.448 -4.039 1.00 0.00 O ATOM 573 CB LEU A 39 -7.337 17.557 -1.718 1.00 0.00 C ATOM 574 CG LEU A 39 -6.543 16.362 -1.266 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.192 16.887 -0.807 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.174 15.710 -0.024 1.00 0.00 C ATOM 0 H LEU A 39 -9.071 17.237 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.641 18.970 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.104 18.403 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.399 17.345 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.493 15.640 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.575 16.055 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.697 17.391 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.335 17.591 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.577 14.849 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.205 16.434 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.187 15.384 -0.259 1.00 0.00 H new ATOM 588 N GLY A 40 -6.497 16.148 -4.764 1.00 0.00 N ATOM 589 CA GLY A 40 -5.604 15.295 -5.616 1.00 0.00 C ATOM 590 C GLY A 40 -5.127 16.147 -6.786 1.00 0.00 C ATOM 591 O GLY A 40 -3.978 16.088 -7.180 1.00 0.00 O ATOM 0 H GLY A 40 -7.482 15.884 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.755 14.932 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.142 14.418 -5.976 1.00 0.00 H new ATOM 595 N GLU A 41 -6.024 16.930 -7.324 1.00 0.00 N ATOM 596 CA GLU A 41 -5.631 17.798 -8.462 1.00 0.00 C ATOM 597 C GLU A 41 -4.556 18.755 -7.954 1.00 0.00 C ATOM 598 O GLU A 41 -3.513 18.898 -8.559 1.00 0.00 O ATOM 599 CB GLU A 41 -6.808 18.616 -8.944 1.00 0.00 C ATOM 600 CG GLU A 41 -7.729 17.810 -9.884 1.00 0.00 C ATOM 601 CD GLU A 41 -6.960 17.400 -11.154 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.553 18.299 -11.873 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.817 16.204 -11.337 1.00 0.00 O ATOM 0 H GLU A 41 -6.997 17.003 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.273 17.182 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.382 18.965 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.444 19.502 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.099 16.922 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.600 18.408 -10.154 1.00 0.00 H new ATOM 610 N MET A 42 -4.863 19.371 -6.837 1.00 0.00 N ATOM 611 CA MET A 42 -3.900 20.341 -6.235 1.00 0.00 C ATOM 612 C MET A 42 -2.529 19.716 -6.040 1.00 0.00 C ATOM 613 O MET A 42 -1.527 20.342 -6.302 1.00 0.00 O ATOM 614 CB MET A 42 -4.433 20.798 -4.914 1.00 0.00 C ATOM 615 CG MET A 42 -5.757 21.550 -5.161 1.00 0.00 C ATOM 616 SD MET A 42 -6.425 22.572 -3.825 1.00 0.00 S ATOM 617 CE MET A 42 -8.033 21.762 -3.628 1.00 0.00 C ATOM 0 H MET A 42 -5.733 19.244 -6.321 1.00 0.00 H new ATOM 0 HA MET A 42 -3.790 21.186 -6.915 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.598 19.945 -4.255 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.713 21.449 -4.419 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.618 22.190 -6.032 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.514 20.812 -5.426 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.721 22.438 -3.121 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.434 21.505 -4.609 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.913 20.855 -3.036 1.00 0.00 H new ATOM 627 N TRP A 43 -2.544 18.501 -5.564 1.00 0.00 N ATOM 628 CA TRP A 43 -1.299 17.728 -5.323 1.00 0.00 C ATOM 629 C TRP A 43 -0.428 17.736 -6.556 1.00 0.00 C ATOM 630 O TRP A 43 0.756 17.997 -6.461 1.00 0.00 O ATOM 631 CB TRP A 43 -1.681 16.302 -4.958 1.00 0.00 C ATOM 632 CG TRP A 43 -0.467 15.383 -5.065 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.296 14.486 -6.065 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.586 15.327 -4.231 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.860 13.942 -5.768 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.478 14.371 -4.682 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.856 16.042 -3.077 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.651 14.124 -3.977 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.025 15.800 -2.364 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.926 14.838 -2.816 1.00 0.00 C ATOM 0 H TRP A 43 -3.399 17.999 -5.325 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.734 18.182 -4.509 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.079 16.273 -3.944 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.472 15.949 -5.620 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.948 14.272 -6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.267 13.214 -6.355 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.158 16.789 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.348 13.378 -4.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.234 16.356 -1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.836 14.647 -2.266 1.00 0.00 H new ATOM 651 N ASN A 44 -1.050 17.467 -7.679 1.00 0.00 N ATOM 652 CA ASN A 44 -0.227 17.448 -8.923 1.00 0.00 C ATOM 653 C ASN A 44 0.220 18.855 -9.375 1.00 0.00 C ATOM 654 O ASN A 44 0.767 19.029 -10.447 1.00 0.00 O ATOM 655 CB ASN A 44 -1.038 16.709 -10.061 1.00 0.00 C ATOM 656 CG ASN A 44 -2.221 17.475 -10.660 1.00 0.00 C ATOM 657 OD1 ASN A 44 -2.077 18.539 -11.222 1.00 0.00 O ATOM 658 ND2 ASN A 44 -3.416 16.957 -10.571 1.00 0.00 N ATOM 0 H ASN A 44 -2.045 17.269 -7.786 1.00 0.00 H new ATOM 0 HA ASN A 44 0.694 16.905 -8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.347 16.462 -10.867 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.409 15.766 -9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.216 17.447 -10.972 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.550 16.062 -10.100 1.00 0.00 H new ATOM 665 N ASN A 45 -0.041 19.807 -8.510 1.00 0.00 N ATOM 666 CA ASN A 45 0.311 21.246 -8.722 1.00 0.00 C ATOM 667 C ASN A 45 0.746 21.853 -7.360 1.00 0.00 C ATOM 668 O ASN A 45 0.578 23.041 -7.156 1.00 0.00 O ATOM 669 CB ASN A 45 -0.911 22.045 -9.228 1.00 0.00 C ATOM 670 CG ASN A 45 -1.638 21.305 -10.340 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.851 20.903 -10.087 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.120 21.090 -11.419 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.508 19.632 -7.620 1.00 0.00 H new ATOM 0 HA ASN A 45 1.110 21.303 -9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.597 22.226 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.585 23.020 -9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.169 21.411 -11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.636 20.588 -12.142 1.00 0.00 H new ATOM 679 N THR A 46 1.296 21.067 -6.458 1.00 0.00 N ATOM 680 CA THR A 46 1.706 21.653 -5.134 1.00 0.00 C ATOM 681 C THR A 46 2.970 22.502 -5.325 1.00 0.00 C ATOM 682 O THR A 46 3.049 23.619 -4.855 1.00 0.00 O ATOM 683 CB THR A 46 1.949 20.481 -4.101 1.00 0.00 C ATOM 684 OG1 THR A 46 2.298 21.144 -2.891 1.00 0.00 O ATOM 685 CG2 THR A 46 3.170 19.583 -4.381 1.00 0.00 C ATOM 0 H THR A 46 1.476 20.070 -6.575 1.00 0.00 H new ATOM 0 HA THR A 46 0.919 22.298 -4.742 1.00 0.00 H new ATOM 0 HB THR A 46 1.059 19.852 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.043 20.672 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.240 18.814 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.058 19.110 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.076 20.188 -4.373 1.00 0.00 H new ATOM 693 N ALA A 47 3.905 21.920 -6.024 1.00 0.00 N ATOM 694 CA ALA A 47 5.210 22.570 -6.332 1.00 0.00 C ATOM 695 C ALA A 47 6.001 21.568 -7.155 1.00 0.00 C ATOM 696 O ALA A 47 6.490 21.897 -8.218 1.00 0.00 O ATOM 697 CB ALA A 47 6.004 22.889 -5.042 1.00 0.00 C ATOM 0 H ALA A 47 3.812 20.980 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 47 5.043 23.510 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.950 23.362 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.422 23.564 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.199 21.965 -4.497 1.00 0.00 H new ATOM 703 N ALA A 48 6.069 20.387 -6.587 1.00 0.00 N ATOM 704 CA ALA A 48 6.777 19.177 -7.129 1.00 0.00 C ATOM 705 C ALA A 48 7.999 19.076 -6.218 1.00 0.00 C ATOM 706 O ALA A 48 8.389 18.018 -5.766 1.00 0.00 O ATOM 707 CB ALA A 48 7.253 19.352 -8.592 1.00 0.00 C ATOM 0 H ALA A 48 5.621 20.201 -5.690 1.00 0.00 H new ATOM 0 HA ALA A 48 6.125 18.304 -7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.756 18.443 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.393 19.545 -9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.945 20.192 -8.651 1.00 0.00 H new ATOM 713 N ASP A 49 8.548 20.242 -5.973 1.00 0.00 N ATOM 714 CA ASP A 49 9.748 20.376 -5.106 1.00 0.00 C ATOM 715 C ASP A 49 9.282 20.377 -3.632 1.00 0.00 C ATOM 716 O ASP A 49 10.078 20.464 -2.718 1.00 0.00 O ATOM 717 CB ASP A 49 10.453 21.695 -5.493 1.00 0.00 C ATOM 718 CG ASP A 49 11.717 21.906 -4.637 1.00 0.00 C ATOM 719 OD1 ASP A 49 12.603 21.076 -4.760 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.724 22.885 -3.911 1.00 0.00 O ATOM 0 H ASP A 49 8.201 21.124 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 49 10.451 19.553 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.722 21.674 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.770 22.533 -5.355 1.00 0.00 H new ATOM 725 N ASP A 50 7.983 20.274 -3.468 1.00 0.00 N ATOM 726 CA ASP A 50 7.317 20.246 -2.130 1.00 0.00 C ATOM 727 C ASP A 50 6.746 18.829 -1.951 1.00 0.00 C ATOM 728 O ASP A 50 6.347 18.455 -0.865 1.00 0.00 O ATOM 729 CB ASP A 50 6.169 21.272 -2.084 1.00 0.00 C ATOM 730 CG ASP A 50 5.461 21.216 -0.716 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.117 21.554 0.256 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.302 20.833 -0.720 1.00 0.00 O ATOM 0 H ASP A 50 7.330 20.205 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 50 8.025 20.495 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.560 22.274 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.454 21.065 -2.881 1.00 0.00 H new ATOM 737 N LYS A 51 6.728 18.080 -3.029 1.00 0.00 N ATOM 738 CA LYS A 51 6.204 16.689 -2.986 1.00 0.00 C ATOM 739 C LYS A 51 7.357 15.901 -2.420 1.00 0.00 C ATOM 740 O LYS A 51 7.160 15.186 -1.470 1.00 0.00 O ATOM 741 CB LYS A 51 5.904 16.119 -4.371 1.00 0.00 C ATOM 742 CG LYS A 51 4.728 16.817 -5.031 1.00 0.00 C ATOM 743 CD LYS A 51 4.498 16.117 -6.376 1.00 0.00 C ATOM 744 CE LYS A 51 3.280 16.704 -7.072 1.00 0.00 C ATOM 745 NZ LYS A 51 3.159 16.133 -8.442 1.00 0.00 N ATOM 0 H LYS A 51 7.060 18.383 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 51 5.273 16.649 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.786 16.219 -5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.692 15.053 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.839 16.753 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.939 17.876 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.378 16.231 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.356 15.048 -6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.380 16.486 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.368 17.789 -7.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.820 16.868 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.088 15.790 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.484 15.342 -8.430 1.00 0.00 H new ATOM 759 N GLN A 52 8.506 16.055 -3.033 1.00 0.00 N ATOM 760 CA GLN A 52 9.772 15.366 -2.618 1.00 0.00 C ATOM 761 C GLN A 52 9.763 14.773 -1.183 1.00 0.00 C ATOM 762 O GLN A 52 9.913 13.578 -1.066 1.00 0.00 O ATOM 763 CB GLN A 52 10.935 16.401 -2.798 1.00 0.00 C ATOM 764 CG GLN A 52 12.029 15.868 -3.755 1.00 0.00 C ATOM 765 CD GLN A 52 11.514 15.607 -5.191 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.252 15.760 -5.493 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.278 15.250 -6.065 1.00 0.00 N flip ATOM 0 H GLN A 52 8.623 16.661 -3.845 1.00 0.00 H new ATOM 0 HA GLN A 52 9.900 14.488 -3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.533 17.336 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.377 16.625 -1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.848 16.586 -3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.437 14.942 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.268 15.123 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.929 15.077 -7.008 1.00 0.00 H new ATOM 776 N PRO A 53 9.587 15.567 -0.146 1.00 0.00 N ATOM 777 CA PRO A 53 9.452 15.070 1.263 1.00 0.00 C ATOM 778 C PRO A 53 8.452 13.913 1.439 1.00 0.00 C ATOM 779 O PRO A 53 8.749 12.899 2.040 1.00 0.00 O ATOM 780 CB PRO A 53 9.057 16.320 2.066 1.00 0.00 C ATOM 781 CG PRO A 53 8.491 17.277 0.989 1.00 0.00 C ATOM 782 CD PRO A 53 9.463 17.054 -0.176 1.00 0.00 C ATOM 0 HA PRO A 53 10.384 14.622 1.608 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.313 16.089 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.915 16.755 2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.465 17.026 0.719 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.488 18.314 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.065 17.418 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.419 17.553 -0.019 1.00 0.00 H new ATOM 790 N TYR A 54 7.293 14.132 0.883 1.00 0.00 N ATOM 791 CA TYR A 54 6.177 13.135 0.944 1.00 0.00 C ATOM 792 C TYR A 54 6.464 12.006 -0.051 1.00 0.00 C ATOM 793 O TYR A 54 6.430 10.839 0.279 1.00 0.00 O ATOM 794 CB TYR A 54 4.852 13.833 0.571 1.00 0.00 C ATOM 795 CG TYR A 54 4.561 15.018 1.507 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.439 14.853 2.876 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.413 16.285 0.977 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.174 15.934 3.692 1.00 0.00 C ATOM 799 CE2 TYR A 54 4.147 17.364 1.791 1.00 0.00 C ATOM 800 CZ TYR A 54 4.027 17.197 3.155 1.00 0.00 C ATOM 801 OH TYR A 54 3.761 18.283 3.964 1.00 0.00 O ATOM 0 H TYR A 54 7.063 14.985 0.373 1.00 0.00 H new ATOM 0 HA TYR A 54 6.097 12.724 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.901 14.185 -0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.033 13.115 0.624 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.552 13.870 3.309 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.507 16.431 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.081 15.791 4.758 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.032 18.347 1.359 1.00 0.00 H new ATOM 0 HH TYR A 54 2.976 18.093 4.519 1.00 0.00 H new ATOM 811 N GLU A 55 6.731 12.411 -1.260 1.00 0.00 N ATOM 812 CA GLU A 55 7.041 11.464 -2.369 1.00 0.00 C ATOM 813 C GLU A 55 8.093 10.405 -2.012 1.00 0.00 C ATOM 814 O GLU A 55 7.834 9.221 -2.089 1.00 0.00 O ATOM 815 CB GLU A 55 7.496 12.313 -3.573 1.00 0.00 C ATOM 816 CG GLU A 55 6.378 12.343 -4.648 1.00 0.00 C ATOM 817 CD GLU A 55 6.744 13.225 -5.869 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.781 13.874 -5.848 1.00 0.00 O ATOM 819 OE2 GLU A 55 5.931 13.198 -6.779 1.00 0.00 O ATOM 0 H GLU A 55 6.748 13.393 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 55 6.144 10.888 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.727 13.327 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.410 11.898 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.178 11.326 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.458 12.716 -4.199 1.00 0.00 H new ATOM 826 N LYS A 56 9.252 10.870 -1.629 1.00 0.00 N ATOM 827 CA LYS A 56 10.373 9.963 -1.253 1.00 0.00 C ATOM 828 C LYS A 56 9.914 8.969 -0.169 1.00 0.00 C ATOM 829 O LYS A 56 10.399 7.857 -0.101 1.00 0.00 O ATOM 830 CB LYS A 56 11.551 10.831 -0.748 1.00 0.00 C ATOM 831 CG LYS A 56 12.825 9.962 -0.609 1.00 0.00 C ATOM 832 CD LYS A 56 14.004 10.845 -0.136 1.00 0.00 C ATOM 833 CE LYS A 56 15.306 10.016 -0.118 1.00 0.00 C ATOM 834 NZ LYS A 56 15.175 8.857 0.812 1.00 0.00 N ATOM 0 H LYS A 56 9.472 11.863 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 56 10.694 9.381 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.734 11.651 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.299 11.278 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.652 9.156 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.066 9.496 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.117 11.702 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.799 11.238 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.531 9.660 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.141 10.645 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.113 8.441 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.770 9.180 1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.551 8.141 0.388 1.00 0.00 H new ATOM 848 N LYS A 57 8.971 9.394 0.642 1.00 0.00 N ATOM 849 CA LYS A 57 8.471 8.497 1.728 1.00 0.00 C ATOM 850 C LYS A 57 7.581 7.448 1.055 1.00 0.00 C ATOM 851 O LYS A 57 7.816 6.265 1.206 1.00 0.00 O ATOM 852 CB LYS A 57 7.686 9.349 2.740 1.00 0.00 C ATOM 853 CG LYS A 57 7.414 8.524 4.006 1.00 0.00 C ATOM 854 CD LYS A 57 6.758 9.446 5.057 1.00 0.00 C ATOM 855 CE LYS A 57 6.632 8.701 6.397 1.00 0.00 C ATOM 856 NZ LYS A 57 7.979 8.324 6.918 1.00 0.00 N ATOM 0 H LYS A 57 8.532 10.314 0.598 1.00 0.00 H new ATOM 0 HA LYS A 57 9.276 7.998 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.252 10.245 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.745 9.680 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.759 7.683 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.343 8.107 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.356 10.348 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.774 9.763 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.119 9.332 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.023 7.806 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.924 8.172 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.298 7.449 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.655 9.088 6.717 1.00 0.00 H new ATOM 870 N ALA A 58 6.579 7.898 0.337 1.00 0.00 N ATOM 871 CA ALA A 58 5.652 6.954 -0.376 1.00 0.00 C ATOM 872 C ALA A 58 6.474 5.847 -1.058 1.00 0.00 C ATOM 873 O ALA A 58 6.205 4.670 -0.903 1.00 0.00 O ATOM 874 CB ALA A 58 4.853 7.734 -1.422 1.00 0.00 C ATOM 0 H ALA A 58 6.360 8.886 0.212 1.00 0.00 H new ATOM 0 HA ALA A 58 4.965 6.497 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.178 7.056 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.274 8.515 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.537 8.187 -2.139 1.00 0.00 H new ATOM 880 N ALA A 59 7.461 6.286 -1.803 1.00 0.00 N ATOM 881 CA ALA A 59 8.371 5.350 -2.531 1.00 0.00 C ATOM 882 C ALA A 59 8.843 4.266 -1.549 1.00 0.00 C ATOM 883 O ALA A 59 8.597 3.099 -1.765 1.00 0.00 O ATOM 884 CB ALA A 59 9.570 6.144 -3.081 1.00 0.00 C ATOM 0 H ALA A 59 7.677 7.274 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 59 7.853 4.876 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.240 5.469 -3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.213 6.915 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.107 6.611 -2.255 1.00 0.00 H new ATOM 890 N LYS A 60 9.510 4.696 -0.499 1.00 0.00 N ATOM 891 CA LYS A 60 10.034 3.774 0.563 1.00 0.00 C ATOM 892 C LYS A 60 9.012 2.671 0.862 1.00 0.00 C ATOM 893 O LYS A 60 9.333 1.504 0.824 1.00 0.00 O ATOM 894 CB LYS A 60 10.308 4.566 1.852 1.00 0.00 C ATOM 895 CG LYS A 60 11.042 3.671 2.885 1.00 0.00 C ATOM 896 CD LYS A 60 10.941 4.277 4.302 1.00 0.00 C ATOM 897 CE LYS A 60 11.482 5.718 4.345 1.00 0.00 C ATOM 898 NZ LYS A 60 11.414 6.226 5.743 1.00 0.00 N ATOM 0 H LYS A 60 9.718 5.680 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 60 10.958 3.322 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.913 5.444 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.369 4.925 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.608 2.671 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.090 3.566 2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.901 4.269 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.500 3.657 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.511 5.744 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.898 6.358 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.779 7.199 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.426 6.215 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.989 5.619 6.361 1.00 0.00 H new ATOM 912 N LEU A 61 7.805 3.081 1.154 1.00 0.00 N ATOM 913 CA LEU A 61 6.710 2.102 1.467 1.00 0.00 C ATOM 914 C LEU A 61 6.520 1.082 0.338 1.00 0.00 C ATOM 915 O LEU A 61 6.586 -0.107 0.575 1.00 0.00 O ATOM 916 CB LEU A 61 5.407 2.880 1.703 1.00 0.00 C ATOM 917 CG LEU A 61 5.666 4.019 2.725 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.346 4.724 3.028 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.328 3.487 4.025 1.00 0.00 C ATOM 0 H LEU A 61 7.524 4.061 1.190 1.00 0.00 H new ATOM 0 HA LEU A 61 6.985 1.544 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.043 3.295 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.633 2.210 2.077 1.00 0.00 H new ATOM 0 HG LEU A 61 6.367 4.731 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.518 5.526 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.937 5.142 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.639 4.008 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.493 4.315 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.673 2.751 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.283 3.021 3.783 1.00 0.00 H new ATOM 931 N LYS A 62 6.281 1.571 -0.856 1.00 0.00 N ATOM 932 CA LYS A 62 6.086 0.660 -2.044 1.00 0.00 C ATOM 933 C LYS A 62 7.230 -0.377 -1.996 1.00 0.00 C ATOM 934 O LYS A 62 7.044 -1.574 -2.074 1.00 0.00 O ATOM 935 CB LYS A 62 6.174 1.493 -3.346 1.00 0.00 C ATOM 936 CG LYS A 62 5.598 0.671 -4.525 1.00 0.00 C ATOM 937 CD LYS A 62 5.837 1.425 -5.856 1.00 0.00 C ATOM 938 CE LYS A 62 4.972 0.805 -6.977 1.00 0.00 C ATOM 939 NZ LYS A 62 5.254 -0.652 -7.127 1.00 0.00 N ATOM 0 H LYS A 62 6.211 2.567 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 62 5.114 0.167 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.619 2.424 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.211 1.762 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.072 -0.310 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.531 0.504 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.590 2.480 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.891 1.374 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.916 0.953 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.170 1.316 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.821 -1.001 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.282 -0.805 -7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.856 -1.168 -6.317 1.00 0.00 H new