USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 822 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 97 ASN : amide:sc= -2.79 K(o=-3.8,f=-1.8!) USER MOD Set 1.2: A 101 ASN : amide:sc= -0.992 K(o=-3.8,f=-1.8) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -150:sc= -0.0303 (180deg=-0.492) USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0462 K(o=-0.046,f=-0.78) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 167:sc= -3.65! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -23:sc= 0.574 USER MOD Single : A 35 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.192) USER MOD Single : A 42 TYR OH : rot -81:sc= 0.897 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0.738 (180deg=0.457) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0.0415 (180deg=0.039) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.269 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 62 TYR OH : rot 130:sc= -3.99 USER MOD Single : A 79 TYR OH : rot -94:sc= 1.16 USER MOD Single : A 84 MET CE :methyl 152:sc= -0.567 (180deg=-2.9!) USER MOD Single : A 100 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 106 SER OG : rot -147:sc= -0.0247 USER MOD Single : A 111 THR OG1 : rot 85:sc= 0.727 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -1.708 -6.778 -11.452 1.00 0.00 N ATOM 91 CA LEU A 13 -2.846 -6.934 -10.555 1.00 0.00 C ATOM 92 C LEU A 13 -3.810 -5.763 -10.699 1.00 0.00 C ATOM 93 O LEU A 13 -3.390 -4.616 -10.846 1.00 0.00 O ATOM 94 CB LEU A 13 -2.370 -7.041 -9.105 1.00 0.00 C ATOM 95 CG LEU A 13 -3.412 -7.570 -8.119 1.00 0.00 C ATOM 96 CD1 LEU A 13 -3.272 -9.075 -7.953 1.00 0.00 C ATOM 97 CD2 LEU A 13 -3.282 -6.866 -6.774 1.00 0.00 C ATOM 0 HA LEU A 13 -3.369 -7.851 -10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.497 -7.693 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.044 -6.056 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.404 -7.360 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.021 -9.435 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.417 -9.562 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.277 -9.308 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.032 -7.256 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.287 -7.043 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.434 -5.795 -6.908 1.00 0.00 H new ATOM 109 N ARG A 14 -5.104 -6.057 -10.656 1.00 0.00 N ATOM 110 CA ARG A 14 -6.121 -5.020 -10.781 1.00 0.00 C ATOM 111 C ARG A 14 -6.414 -4.382 -9.430 1.00 0.00 C ATOM 112 O ARG A 14 -7.170 -4.922 -8.624 1.00 0.00 O ATOM 113 CB ARG A 14 -7.406 -5.589 -11.380 1.00 0.00 C ATOM 114 CG ARG A 14 -7.854 -6.895 -10.745 1.00 0.00 C ATOM 115 CD ARG A 14 -9.249 -7.288 -11.205 1.00 0.00 C ATOM 116 NE ARG A 14 -9.479 -8.726 -11.087 1.00 0.00 N ATOM 117 CZ ARG A 14 -8.849 -9.641 -11.820 1.00 0.00 C ATOM 118 NH1 ARG A 14 -7.951 -9.273 -12.725 1.00 0.00 N ATOM 119 NH2 ARG A 14 -9.117 -10.928 -11.647 1.00 0.00 N ATOM 0 H ARG A 14 -5.473 -7.000 -10.536 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.733 -4.253 -11.451 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.202 -4.852 -11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.259 -5.747 -12.448 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.149 -7.686 -11.001 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.842 -6.796 -9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.991 -6.752 -10.612 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.388 -6.982 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.163 -9.048 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.740 -8.284 -12.862 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.471 -9.979 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.806 -11.217 -10.952 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.634 -11.629 -12.209 1.00 0.00 H new ATOM 133 N ILE A 15 -5.808 -3.228 -9.194 1.00 0.00 N ATOM 134 CA ILE A 15 -5.994 -2.504 -7.944 1.00 0.00 C ATOM 135 C ILE A 15 -6.531 -1.100 -8.203 1.00 0.00 C ATOM 136 O ILE A 15 -5.839 -0.254 -8.769 1.00 0.00 O ATOM 137 CB ILE A 15 -4.674 -2.404 -7.152 1.00 0.00 C ATOM 138 CG1 ILE A 15 -4.034 -3.787 -7.006 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.921 -1.782 -5.786 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.522 -3.754 -6.943 1.00 0.00 C ATOM 0 H ILE A 15 -5.180 -2.770 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.719 -3.064 -7.353 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.986 -1.763 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.416 -4.261 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.340 -4.410 -7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.980 -1.718 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.336 -0.782 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.624 -2.399 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.140 -4.770 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.129 -3.310 -7.858 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.206 -3.159 -6.086 1.00 0.00 H new ATOM 152 N LYS A 16 -7.770 -0.861 -7.788 1.00 0.00 N ATOM 153 CA LYS A 16 -8.401 0.440 -7.977 1.00 0.00 C ATOM 154 C LYS A 16 -9.067 0.910 -6.689 1.00 0.00 C ATOM 155 O LYS A 16 -10.014 0.289 -6.207 1.00 0.00 O ATOM 156 CB LYS A 16 -9.433 0.371 -9.103 1.00 0.00 C ATOM 157 CG LYS A 16 -8.839 -0.007 -10.451 1.00 0.00 C ATOM 158 CD LYS A 16 -8.788 1.186 -11.393 1.00 0.00 C ATOM 159 CE LYS A 16 -9.089 0.776 -12.826 1.00 0.00 C ATOM 160 NZ LYS A 16 -9.188 1.954 -13.731 1.00 0.00 N ATOM 0 H LYS A 16 -8.357 -1.551 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.626 1.157 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.201 -0.356 -8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.927 1.339 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.833 -0.402 -10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.433 -0.802 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.508 1.938 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.802 1.647 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.306 0.108 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.024 0.216 -12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.394 1.632 -14.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.952 2.580 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.287 2.474 -13.724 1.00 0.00 H new ATOM 174 N VAL A 17 -8.565 2.007 -6.135 1.00 0.00 N ATOM 175 CA VAL A 17 -9.113 2.556 -4.901 1.00 0.00 C ATOM 176 C VAL A 17 -10.195 3.588 -5.192 1.00 0.00 C ATOM 177 O VAL A 17 -9.941 4.603 -5.842 1.00 0.00 O ATOM 178 CB VAL A 17 -8.022 3.208 -4.024 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.346 3.014 -2.552 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.645 2.642 -4.349 1.00 0.00 C ATOM 0 H VAL A 17 -7.781 2.533 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.545 1.717 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.003 4.276 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.569 3.478 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.307 3.476 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.394 1.948 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.897 3.119 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.641 1.567 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.411 2.834 -5.396 1.00 0.00 H new ATOM 190 N ASP A 18 -11.403 3.322 -4.707 1.00 0.00 N ATOM 191 CA ASP A 18 -12.526 4.228 -4.915 1.00 0.00 C ATOM 192 C ASP A 18 -13.439 4.255 -3.693 1.00 0.00 C ATOM 193 O ASP A 18 -14.637 4.513 -3.806 1.00 0.00 O ATOM 194 CB ASP A 18 -13.323 3.809 -6.152 1.00 0.00 C ATOM 195 CG ASP A 18 -13.828 4.999 -6.945 1.00 0.00 C ATOM 196 OD1 ASP A 18 -14.919 5.511 -6.618 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.132 5.418 -7.894 1.00 0.00 O ATOM 0 H ASP A 18 -11.629 2.487 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.127 5.231 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.695 3.189 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.170 3.195 -5.845 1.00 0.00 H new ATOM 202 N ASP A 19 -12.864 3.988 -2.524 1.00 0.00 N ATOM 203 CA ASP A 19 -13.626 3.983 -1.281 1.00 0.00 C ATOM 204 C ASP A 19 -12.822 4.619 -0.151 1.00 0.00 C ATOM 205 O ASP A 19 -11.632 4.348 0.005 1.00 0.00 O ATOM 206 CB ASP A 19 -14.020 2.552 -0.905 1.00 0.00 C ATOM 207 CG ASP A 19 -15.507 2.301 -1.062 1.00 0.00 C ATOM 208 OD1 ASP A 19 -16.019 2.454 -2.191 1.00 0.00 O ATOM 209 OD2 ASP A 19 -16.159 1.952 -0.055 1.00 0.00 O ATOM 0 H ASP A 19 -11.873 3.772 -2.412 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.531 4.571 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.468 1.850 -1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.729 2.357 0.127 1.00 0.00 H new ATOM 214 N VAL A 20 -13.480 5.465 0.635 1.00 0.00 N ATOM 215 CA VAL A 20 -12.823 6.138 1.749 1.00 0.00 C ATOM 216 C VAL A 20 -13.812 6.446 2.868 1.00 0.00 C ATOM 217 O VAL A 20 -14.824 7.111 2.650 1.00 0.00 O ATOM 218 CB VAL A 20 -12.152 7.449 1.297 1.00 0.00 C ATOM 219 CG1 VAL A 20 -11.307 8.031 2.419 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.311 7.216 0.051 1.00 0.00 C ATOM 0 H VAL A 20 -14.466 5.700 0.521 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.058 5.457 2.122 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.932 8.169 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.841 8.957 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.940 8.238 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.533 7.317 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.845 8.153 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.537 6.479 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.947 6.849 -0.754 1.00 0.00 H new ATOM 230 N LYS A 21 -13.509 5.959 4.067 1.00 0.00 N ATOM 231 CA LYS A 21 -14.369 6.183 5.223 1.00 0.00 C ATOM 232 C LYS A 21 -13.654 7.029 6.271 1.00 0.00 C ATOM 233 O LYS A 21 -12.773 6.542 6.980 1.00 0.00 O ATOM 234 CB LYS A 21 -14.800 4.847 5.833 1.00 0.00 C ATOM 235 CG LYS A 21 -13.653 3.869 6.030 1.00 0.00 C ATOM 236 CD LYS A 21 -14.152 2.518 6.518 1.00 0.00 C ATOM 237 CE LYS A 21 -14.698 1.679 5.374 1.00 0.00 C ATOM 238 NZ LYS A 21 -16.185 1.735 5.304 1.00 0.00 N ATOM 0 H LYS A 21 -12.674 5.407 4.263 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.256 6.721 4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.277 5.034 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.551 4.389 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.116 3.742 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.944 4.278 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.338 1.983 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.931 2.665 7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.277 2.031 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.379 0.644 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.548 0.842 4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.572 1.878 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.474 2.524 4.691 1.00 0.00 H new ATOM 252 N ILE A 22 -14.037 8.298 6.361 1.00 0.00 N ATOM 253 CA ILE A 22 -13.431 9.212 7.319 1.00 0.00 C ATOM 254 C ILE A 22 -13.899 8.916 8.740 1.00 0.00 C ATOM 255 O ILE A 22 -15.094 8.964 9.032 1.00 0.00 O ATOM 256 CB ILE A 22 -13.758 10.680 6.984 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.588 10.944 5.486 1.00 0.00 C ATOM 258 CG2 ILE A 22 -12.873 11.614 7.792 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.209 10.601 4.965 1.00 0.00 C ATOM 0 H ILE A 22 -14.765 8.716 5.781 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.353 9.061 7.254 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.798 10.870 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.330 10.364 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.792 11.996 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.115 12.648 7.546 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.042 11.446 8.856 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.827 11.419 7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.160 10.813 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.463 11.199 5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.009 9.543 5.134 1.00 0.00 H new ATOM 271 N ASN A 23 -12.950 8.615 9.620 1.00 0.00 N ATOM 272 CA ASN A 23 -13.265 8.318 11.013 1.00 0.00 C ATOM 273 C ASN A 23 -12.529 9.276 11.947 1.00 0.00 C ATOM 274 O ASN A 23 -11.413 9.705 11.653 1.00 0.00 O ATOM 275 CB ASN A 23 -12.894 6.871 11.349 1.00 0.00 C ATOM 276 CG ASN A 23 -13.343 5.893 10.281 1.00 0.00 C ATOM 277 OD1 ASN A 23 -14.395 6.067 9.667 1.00 0.00 O ATOM 278 ND2 ASN A 23 -12.543 4.857 10.053 1.00 0.00 N ATOM 0 H ASN A 23 -11.956 8.570 9.394 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.338 8.448 11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.814 6.796 11.474 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.345 6.596 12.302 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.792 4.166 9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.680 4.752 10.586 1.00 0.00 H new ATOM 285 N PRO A 24 -13.144 9.624 13.089 1.00 0.00 N ATOM 286 CA PRO A 24 -12.542 10.537 14.067 1.00 0.00 C ATOM 287 C PRO A 24 -11.177 10.057 14.553 1.00 0.00 C ATOM 288 O PRO A 24 -10.384 10.842 15.073 1.00 0.00 O ATOM 289 CB PRO A 24 -13.548 10.553 15.227 1.00 0.00 C ATOM 290 CG PRO A 24 -14.427 9.369 15.006 1.00 0.00 C ATOM 291 CD PRO A 24 -14.470 9.159 13.521 1.00 0.00 C ATOM 0 HA PRO A 24 -12.360 11.521 13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.039 10.490 16.189 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.127 11.477 15.232 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.032 8.489 15.513 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.426 9.545 15.405 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.635 8.112 13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.272 9.732 13.054 1.00 0.00 H new ATOM 299 N LYS A 25 -10.908 8.766 14.384 1.00 0.00 N ATOM 300 CA LYS A 25 -9.639 8.189 14.811 1.00 0.00 C ATOM 301 C LYS A 25 -8.623 8.183 13.672 1.00 0.00 C ATOM 302 O LYS A 25 -7.435 8.422 13.888 1.00 0.00 O ATOM 303 CB LYS A 25 -9.851 6.765 15.329 1.00 0.00 C ATOM 304 CG LYS A 25 -10.468 6.709 16.717 1.00 0.00 C ATOM 305 CD LYS A 25 -11.974 6.919 16.669 1.00 0.00 C ATOM 306 CE LYS A 25 -12.730 5.627 16.942 1.00 0.00 C ATOM 307 NZ LYS A 25 -13.790 5.812 17.972 1.00 0.00 N ATOM 0 H LYS A 25 -11.551 8.101 13.955 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.244 8.808 15.616 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.493 6.226 14.633 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.892 6.247 15.345 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.249 5.744 17.175 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.014 7.472 17.349 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.260 7.671 17.404 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.257 7.306 15.690 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.181 5.268 16.017 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.030 4.860 17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.282 4.909 18.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.357 6.131 18.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.472 6.525 17.644 1.00 0.00 H new ATOM 321 N TYR A 26 -9.094 7.904 12.460 1.00 0.00 N ATOM 322 CA TYR A 26 -8.217 7.865 11.294 1.00 0.00 C ATOM 323 C TYR A 26 -9.018 7.680 10.008 1.00 0.00 C ATOM 324 O TYR A 26 -10.171 7.252 10.038 1.00 0.00 O ATOM 325 CB TYR A 26 -7.196 6.734 11.437 1.00 0.00 C ATOM 326 CG TYR A 26 -7.786 5.448 11.973 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.391 4.531 11.122 1.00 0.00 C ATOM 328 CD2 TYR A 26 -7.739 5.153 13.329 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.932 3.356 11.608 1.00 0.00 C ATOM 330 CE2 TYR A 26 -8.278 3.980 13.823 1.00 0.00 C ATOM 331 CZ TYR A 26 -8.873 3.085 12.958 1.00 0.00 C ATOM 332 OH TYR A 26 -9.411 1.916 13.446 1.00 0.00 O ATOM 0 H TYR A 26 -10.074 7.702 12.260 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.692 8.819 11.237 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.744 6.539 10.464 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.395 7.061 12.101 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.439 4.740 10.064 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.274 5.851 14.009 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.399 2.654 10.933 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.234 3.765 14.881 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.285 1.878 14.417 1.00 0.00 H new ATOM 342 N VAL A 27 -8.394 8.004 8.879 1.00 0.00 N ATOM 343 CA VAL A 27 -9.044 7.871 7.580 1.00 0.00 C ATOM 344 C VAL A 27 -8.595 6.596 6.872 1.00 0.00 C ATOM 345 O VAL A 27 -7.424 6.448 6.525 1.00 0.00 O ATOM 346 CB VAL A 27 -8.742 9.084 6.677 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.521 8.992 5.372 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.057 10.384 7.404 1.00 0.00 C ATOM 0 H VAL A 27 -7.439 8.360 8.838 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.118 7.823 7.762 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.679 9.076 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.293 9.858 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.239 8.081 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.589 8.971 5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.837 11.229 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.112 10.401 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.447 10.454 8.305 1.00 0.00 H new ATOM 358 N LEU A 28 -9.534 5.678 6.663 1.00 0.00 N ATOM 359 CA LEU A 28 -9.234 4.415 5.998 1.00 0.00 C ATOM 360 C LEU A 28 -9.467 4.520 4.495 1.00 0.00 C ATOM 361 O LEU A 28 -10.187 5.402 4.028 1.00 0.00 O ATOM 362 CB LEU A 28 -10.088 3.289 6.584 1.00 0.00 C ATOM 363 CG LEU A 28 -9.819 2.970 8.056 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.547 1.701 8.469 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.323 2.836 8.308 1.00 0.00 C ATOM 0 H LEU A 28 -10.508 5.785 6.945 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.182 4.187 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.139 3.555 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.924 2.386 5.996 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.197 3.794 8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.344 1.490 9.519 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.619 1.834 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.201 0.868 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.150 2.609 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.921 2.031 7.692 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.826 3.772 8.052 1.00 0.00 H new ATOM 377 N TYR A 29 -8.851 3.614 3.741 1.00 0.00 N ATOM 378 CA TYR A 29 -8.989 3.608 2.290 1.00 0.00 C ATOM 379 C TYR A 29 -9.406 2.232 1.783 1.00 0.00 C ATOM 380 O TYR A 29 -8.764 1.227 2.088 1.00 0.00 O ATOM 381 CB TYR A 29 -7.672 4.023 1.632 1.00 0.00 C ATOM 382 CG TYR A 29 -7.437 5.515 1.638 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.904 6.148 2.754 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.748 6.290 0.529 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.688 7.512 2.763 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.534 7.654 0.530 1.00 0.00 C ATOM 387 CZ TYR A 29 -7.004 8.261 1.650 1.00 0.00 C ATOM 388 OH TYR A 29 -6.790 9.619 1.657 1.00 0.00 O ATOM 0 H TYR A 29 -8.252 2.876 4.111 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.767 4.323 2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.847 3.532 2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.662 3.666 0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.655 5.564 3.628 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.164 5.818 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.273 7.990 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.780 8.243 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.857 9.965 0.743 1.00 0.00 H new ATOM 398 N GLY A 30 -10.479 2.196 1.002 1.00 0.00 N ATOM 399 CA GLY A 30 -10.958 0.940 0.459 1.00 0.00 C ATOM 400 C GLY A 30 -10.252 0.570 -0.830 1.00 0.00 C ATOM 401 O GLY A 30 -10.666 0.984 -1.913 1.00 0.00 O ATOM 0 H GLY A 30 -11.026 3.015 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.810 0.148 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.031 1.010 0.277 1.00 0.00 H new ATOM 405 N VAL A 31 -9.182 -0.209 -0.714 1.00 0.00 N ATOM 406 CA VAL A 31 -8.414 -0.630 -1.878 1.00 0.00 C ATOM 407 C VAL A 31 -8.990 -1.901 -2.487 1.00 0.00 C ATOM 408 O VAL A 31 -8.956 -2.968 -1.873 1.00 0.00 O ATOM 409 CB VAL A 31 -6.935 -0.868 -1.520 1.00 0.00 C ATOM 410 CG1 VAL A 31 -6.110 -1.114 -2.775 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.383 0.309 -0.729 1.00 0.00 C ATOM 0 H VAL A 31 -8.827 -0.561 0.175 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.477 0.178 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.871 -1.759 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.069 -1.280 -2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.492 -1.993 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.178 -0.246 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.337 0.124 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.461 1.217 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.955 0.429 0.191 1.00 0.00 H new ATOM 421 N SER A 32 -9.522 -1.776 -3.697 1.00 0.00 N ATOM 422 CA SER A 32 -10.112 -2.914 -4.395 1.00 0.00 C ATOM 423 C SER A 32 -9.036 -3.765 -5.063 1.00 0.00 C ATOM 424 O SER A 32 -8.057 -3.242 -5.593 1.00 0.00 O ATOM 425 CB SER A 32 -11.118 -2.432 -5.442 1.00 0.00 C ATOM 426 OG SER A 32 -11.839 -3.519 -5.995 1.00 0.00 O ATOM 0 H SER A 32 -9.557 -0.899 -4.216 1.00 0.00 H new ATOM 0 HA SER A 32 -10.629 -3.529 -3.658 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.812 -1.726 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.595 -1.898 -6.235 1.00 0.00 H new ATOM 0 HG SER A 32 -12.476 -3.184 -6.660 1.00 0.00 H new ATOM 432 N THR A 33 -9.226 -5.080 -5.029 1.00 0.00 N ATOM 433 CA THR A 33 -8.273 -6.006 -5.628 1.00 0.00 C ATOM 434 C THR A 33 -8.958 -7.318 -6.008 1.00 0.00 C ATOM 435 O THR A 33 -10.078 -7.588 -5.573 1.00 0.00 O ATOM 436 CB THR A 33 -7.122 -6.267 -4.657 1.00 0.00 C ATOM 437 OG1 THR A 33 -7.616 -6.611 -3.375 1.00 0.00 O ATOM 438 CG2 THR A 33 -6.210 -5.072 -4.493 1.00 0.00 C ATOM 0 H THR A 33 -10.032 -5.528 -4.593 1.00 0.00 H new ATOM 0 HA THR A 33 -7.875 -5.557 -6.538 1.00 0.00 H new ATOM 0 HB THR A 33 -6.551 -7.089 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.527 -6.265 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.412 -5.317 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.777 -4.809 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.783 -4.227 -4.110 1.00 0.00 H new ATOM 446 N PRO A 34 -8.295 -8.157 -6.828 1.00 0.00 N ATOM 447 CA PRO A 34 -8.854 -9.441 -7.262 1.00 0.00 C ATOM 448 C PRO A 34 -9.490 -10.219 -6.116 1.00 0.00 C ATOM 449 O PRO A 34 -10.423 -10.996 -6.321 1.00 0.00 O ATOM 450 CB PRO A 34 -7.635 -10.180 -7.809 1.00 0.00 C ATOM 451 CG PRO A 34 -6.750 -9.097 -8.321 1.00 0.00 C ATOM 452 CD PRO A 34 -6.952 -7.924 -7.398 1.00 0.00 C ATOM 0 HA PRO A 34 -9.657 -9.316 -7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.141 -10.764 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.913 -10.875 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.707 -9.415 -8.326 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.008 -8.835 -9.347 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.188 -7.889 -6.622 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.904 -6.977 -7.936 1.00 0.00 H new ATOM 460 N ASN A 35 -8.985 -10.000 -4.909 1.00 0.00 N ATOM 461 CA ASN A 35 -9.510 -10.674 -3.730 1.00 0.00 C ATOM 462 C ASN A 35 -10.745 -9.950 -3.206 1.00 0.00 C ATOM 463 O ASN A 35 -11.797 -10.558 -3.011 1.00 0.00 O ATOM 464 CB ASN A 35 -8.442 -10.746 -2.637 1.00 0.00 C ATOM 465 CG ASN A 35 -7.646 -12.035 -2.691 1.00 0.00 C ATOM 466 OD1 ASN A 35 -7.390 -12.664 -1.664 1.00 0.00 O ATOM 467 ND2 ASN A 35 -7.249 -12.435 -3.894 1.00 0.00 N ATOM 0 H ASN A 35 -8.213 -9.361 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.793 -11.688 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.764 -9.899 -2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.919 -10.657 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.709 -13.295 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.484 -11.882 -4.718 1.00 0.00 H new ATOM 474 N LYS A 36 -10.607 -8.643 -2.985 1.00 0.00 N ATOM 475 CA LYS A 36 -11.706 -7.818 -2.487 1.00 0.00 C ATOM 476 C LYS A 36 -11.196 -6.451 -2.043 1.00 0.00 C ATOM 477 O LYS A 36 -10.013 -6.143 -2.185 1.00 0.00 O ATOM 478 CB LYS A 36 -12.419 -8.507 -1.317 1.00 0.00 C ATOM 479 CG LYS A 36 -11.470 -9.092 -0.284 1.00 0.00 C ATOM 480 CD LYS A 36 -12.098 -10.269 0.446 1.00 0.00 C ATOM 481 CE LYS A 36 -11.622 -11.598 -0.121 1.00 0.00 C ATOM 482 NZ LYS A 36 -10.692 -12.297 0.808 1.00 0.00 N ATOM 0 H LYS A 36 -9.739 -8.131 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.417 -7.684 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.075 -7.787 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.053 -9.303 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.551 -9.415 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.194 -8.321 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.850 -10.215 1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.184 -10.208 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.483 -12.236 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.122 -11.428 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.391 -13.198 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.858 -11.699 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.176 -12.483 1.709 1.00 0.00 H new ATOM 496 N ARG A 37 -12.096 -5.634 -1.503 1.00 0.00 N ATOM 497 CA ARG A 37 -11.734 -4.302 -1.035 1.00 0.00 C ATOM 498 C ARG A 37 -11.137 -4.366 0.368 1.00 0.00 C ATOM 499 O ARG A 37 -11.794 -4.804 1.313 1.00 0.00 O ATOM 500 CB ARG A 37 -12.958 -3.384 -1.044 1.00 0.00 C ATOM 501 CG ARG A 37 -12.989 -2.425 -2.223 1.00 0.00 C ATOM 502 CD ARG A 37 -13.774 -1.163 -1.898 1.00 0.00 C ATOM 503 NE ARG A 37 -15.044 -1.109 -2.618 1.00 0.00 N ATOM 504 CZ ARG A 37 -16.138 -1.770 -2.245 1.00 0.00 C ATOM 505 NH1 ARG A 37 -16.122 -2.537 -1.161 1.00 0.00 N ATOM 506 NH2 ARG A 37 -17.251 -1.664 -2.957 1.00 0.00 N ATOM 0 H ARG A 37 -13.080 -5.872 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.983 -3.895 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.860 -3.995 -1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.978 -2.809 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.970 -2.158 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.437 -2.921 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.963 -1.120 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.176 -0.288 -2.152 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.096 -0.530 -3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.268 -2.622 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.963 -3.041 -0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.269 -1.076 -3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.089 -2.170 -2.672 1.00 0.00 H new ATOM 520 N LEU A 38 -9.889 -3.930 0.494 1.00 0.00 N ATOM 521 CA LEU A 38 -9.201 -3.941 1.780 1.00 0.00 C ATOM 522 C LEU A 38 -9.079 -2.530 2.347 1.00 0.00 C ATOM 523 O LEU A 38 -8.702 -1.596 1.639 1.00 0.00 O ATOM 524 CB LEU A 38 -7.815 -4.573 1.629 1.00 0.00 C ATOM 525 CG LEU A 38 -7.668 -5.960 2.259 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.841 -6.871 1.365 1.00 0.00 C ATOM 527 CD2 LEU A 38 -7.040 -5.850 3.639 1.00 0.00 C ATOM 0 H LEU A 38 -9.333 -3.564 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.790 -4.537 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.578 -4.645 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.077 -3.907 2.076 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.661 -6.398 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.749 -7.852 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.332 -6.974 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.849 -6.441 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.942 -6.844 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.055 -5.392 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.673 -5.235 4.279 1.00 0.00 H new ATOM 539 N TYR A 39 -9.401 -2.384 3.629 1.00 0.00 N ATOM 540 CA TYR A 39 -9.328 -1.087 4.294 1.00 0.00 C ATOM 541 C TYR A 39 -7.985 -0.908 4.994 1.00 0.00 C ATOM 542 O TYR A 39 -7.643 -1.663 5.905 1.00 0.00 O ATOM 543 CB TYR A 39 -10.466 -0.946 5.306 1.00 0.00 C ATOM 544 CG TYR A 39 -11.839 -0.911 4.675 1.00 0.00 C ATOM 545 CD1 TYR A 39 -12.149 0.021 3.692 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.826 -1.809 5.062 1.00 0.00 C ATOM 547 CE1 TYR A 39 -13.403 0.057 3.113 1.00 0.00 C ATOM 548 CE2 TYR A 39 -14.082 -1.780 4.487 1.00 0.00 C ATOM 549 CZ TYR A 39 -14.366 -0.845 3.514 1.00 0.00 C ATOM 550 OH TYR A 39 -15.616 -0.813 2.940 1.00 0.00 O ATOM 0 H TYR A 39 -9.715 -3.148 4.228 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.427 -0.311 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.420 -1.777 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.317 -0.033 5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.397 0.729 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.608 -2.542 5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.628 0.788 2.350 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.838 -2.486 4.798 1.00 0.00 H new ATOM 0 HH TYR A 39 -16.175 -1.515 3.334 1.00 0.00 H new ATOM 560 N LYS A 40 -7.228 0.095 4.562 1.00 0.00 N ATOM 561 CA LYS A 40 -5.923 0.375 5.148 1.00 0.00 C ATOM 562 C LYS A 40 -5.718 1.875 5.327 1.00 0.00 C ATOM 563 O LYS A 40 -6.547 2.680 4.902 1.00 0.00 O ATOM 564 CB LYS A 40 -4.812 -0.203 4.270 1.00 0.00 C ATOM 565 CG LYS A 40 -3.606 -0.691 5.058 1.00 0.00 C ATOM 566 CD LYS A 40 -3.349 -2.172 4.828 1.00 0.00 C ATOM 567 CE LYS A 40 -3.925 -3.019 5.951 1.00 0.00 C ATOM 568 NZ LYS A 40 -2.971 -3.162 7.085 1.00 0.00 N ATOM 0 H LYS A 40 -7.496 0.727 3.808 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.884 -0.098 6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.215 -1.032 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.488 0.558 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.725 -0.119 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.767 -0.510 6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.790 -2.476 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.276 -2.348 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.849 -2.566 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.182 -4.006 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.254 -3.968 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.013 -3.325 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.978 -2.293 7.656 1.00 0.00 H new ATOM 582 N ARG A 41 -4.608 2.245 5.957 1.00 0.00 N ATOM 583 CA ARG A 41 -4.294 3.649 6.192 1.00 0.00 C ATOM 584 C ARG A 41 -2.975 4.032 5.527 1.00 0.00 C ATOM 585 O ARG A 41 -2.058 3.215 5.422 1.00 0.00 O ATOM 586 CB ARG A 41 -4.222 3.933 7.694 1.00 0.00 C ATOM 587 CG ARG A 41 -4.398 5.401 8.045 1.00 0.00 C ATOM 588 CD ARG A 41 -3.719 5.744 9.361 1.00 0.00 C ATOM 589 NE ARG A 41 -4.173 7.027 9.894 1.00 0.00 N ATOM 590 CZ ARG A 41 -3.737 8.207 9.458 1.00 0.00 C ATOM 591 NH1 ARG A 41 -2.839 8.272 8.483 1.00 0.00 N ATOM 592 NH2 ARG A 41 -4.201 9.325 9.999 1.00 0.00 N ATOM 0 H ARG A 41 -3.911 1.592 6.314 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.089 4.251 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.991 3.352 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.260 3.590 8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.983 6.019 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.460 5.636 8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.920 4.958 10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.639 5.774 9.215 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.864 7.018 10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.479 7.415 8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.509 9.179 8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.891 9.281 10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.868 10.229 9.666 1.00 0.00 H new ATOM 606 N TYR A 42 -2.883 5.281 5.081 1.00 0.00 N ATOM 607 CA TYR A 42 -1.674 5.772 4.429 1.00 0.00 C ATOM 608 C TYR A 42 -0.455 5.557 5.319 1.00 0.00 C ATOM 609 O TYR A 42 0.606 5.145 4.848 1.00 0.00 O ATOM 610 CB TYR A 42 -1.816 7.256 4.091 1.00 0.00 C ATOM 611 CG TYR A 42 -0.743 7.767 3.159 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.718 7.387 1.824 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.245 8.631 3.614 1.00 0.00 C ATOM 614 CE1 TYR A 42 0.261 7.853 0.967 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.228 9.102 2.765 1.00 0.00 C ATOM 616 CZ TYR A 42 1.231 8.710 1.442 1.00 0.00 C ATOM 617 OH TYR A 42 2.207 9.178 0.593 1.00 0.00 O ATOM 0 H TYR A 42 -3.630 5.971 5.159 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.535 5.210 3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.792 7.425 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.790 7.835 5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.476 6.716 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.245 8.940 4.649 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.266 7.548 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.989 9.773 3.135 1.00 0.00 H new ATOM 0 HH TYR A 42 2.904 8.497 0.489 1.00 0.00 H new ATOM 627 N SER A 43 -0.616 5.831 6.609 1.00 0.00 N ATOM 628 CA SER A 43 0.469 5.659 7.568 1.00 0.00 C ATOM 629 C SER A 43 0.962 4.215 7.572 1.00 0.00 C ATOM 630 O SER A 43 2.090 3.936 7.978 1.00 0.00 O ATOM 631 CB SER A 43 0.007 6.057 8.971 1.00 0.00 C ATOM 632 OG SER A 43 1.110 6.216 9.846 1.00 0.00 O ATOM 0 H SER A 43 -1.487 6.173 7.015 1.00 0.00 H new ATOM 0 HA SER A 43 1.293 6.307 7.269 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.558 6.988 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.667 5.296 9.365 1.00 0.00 H new ATOM 0 HG SER A 43 0.788 6.472 10.735 1.00 0.00 H new ATOM 638 N GLU A 44 0.110 3.301 7.113 1.00 0.00 N ATOM 639 CA GLU A 44 0.462 1.888 7.060 1.00 0.00 C ATOM 640 C GLU A 44 1.300 1.589 5.823 1.00 0.00 C ATOM 641 O GLU A 44 2.143 0.691 5.831 1.00 0.00 O ATOM 642 CB GLU A 44 -0.799 1.022 7.061 1.00 0.00 C ATOM 643 CG GLU A 44 -0.514 -0.469 7.138 1.00 0.00 C ATOM 644 CD GLU A 44 -0.744 -1.036 8.525 1.00 0.00 C ATOM 645 OE1 GLU A 44 -1.602 -0.495 9.254 1.00 0.00 O ATOM 646 OE2 GLU A 44 -0.065 -2.021 8.883 1.00 0.00 O ATOM 0 H GLU A 44 -0.828 3.515 6.773 1.00 0.00 H new ATOM 0 HA GLU A 44 1.052 1.651 7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.425 1.308 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.371 1.228 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.150 -0.994 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.518 -0.654 6.841 1.00 0.00 H new ATOM 653 N PHE A 45 1.070 2.352 4.762 1.00 0.00 N ATOM 654 CA PHE A 45 1.815 2.170 3.524 1.00 0.00 C ATOM 655 C PHE A 45 3.254 2.643 3.701 1.00 0.00 C ATOM 656 O PHE A 45 4.190 2.023 3.196 1.00 0.00 O ATOM 657 CB PHE A 45 1.145 2.933 2.378 1.00 0.00 C ATOM 658 CG PHE A 45 0.593 2.038 1.304 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.440 1.416 0.400 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.771 1.821 1.199 1.00 0.00 C ATOM 661 CE1 PHE A 45 0.935 0.593 -0.589 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.281 0.999 0.212 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.427 0.384 -0.683 1.00 0.00 C ATOM 0 H PHE A 45 0.377 3.099 4.734 1.00 0.00 H new ATOM 0 HA PHE A 45 1.821 1.109 3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.337 3.544 2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.869 3.616 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.506 1.576 0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.443 2.299 1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.605 0.114 -1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.346 0.838 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.824 -0.259 -1.455 1.00 0.00 H new ATOM 673 N TRP A 46 3.421 3.743 4.428 1.00 0.00 N ATOM 674 CA TRP A 46 4.744 4.297 4.679 1.00 0.00 C ATOM 675 C TRP A 46 5.571 3.353 5.545 1.00 0.00 C ATOM 676 O TRP A 46 6.724 3.058 5.229 1.00 0.00 O ATOM 677 CB TRP A 46 4.632 5.666 5.355 1.00 0.00 C ATOM 678 CG TRP A 46 5.959 6.252 5.733 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.471 6.379 6.992 1.00 0.00 C ATOM 680 CD2 TRP A 46 6.945 6.788 4.842 1.00 0.00 C ATOM 681 NE1 TRP A 46 7.714 6.960 6.939 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.027 7.221 5.631 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.017 6.944 3.455 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.168 7.799 5.078 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.150 7.517 2.908 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.212 7.938 3.718 1.00 0.00 C ATOM 0 H TRP A 46 2.656 4.267 4.853 1.00 0.00 H new ATOM 0 HA TRP A 46 5.247 4.418 3.720 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.117 6.354 4.684 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.016 5.572 6.249 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.971 6.068 7.898 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.308 7.164 7.743 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.203 6.623 2.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.988 8.125 5.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.217 7.642 1.837 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.083 8.381 3.259 1.00 0.00 H new ATOM 697 N LYS A 47 4.980 2.881 6.639 1.00 0.00 N ATOM 698 CA LYS A 47 5.678 1.972 7.540 1.00 0.00 C ATOM 699 C LYS A 47 6.014 0.660 6.836 1.00 0.00 C ATOM 700 O LYS A 47 6.907 -0.069 7.266 1.00 0.00 O ATOM 701 CB LYS A 47 4.844 1.702 8.795 1.00 0.00 C ATOM 702 CG LYS A 47 3.410 1.293 8.505 1.00 0.00 C ATOM 703 CD LYS A 47 3.200 -0.198 8.713 1.00 0.00 C ATOM 704 CE LYS A 47 3.022 -0.533 10.185 1.00 0.00 C ATOM 705 NZ LYS A 47 1.591 -0.486 10.597 1.00 0.00 N ATOM 0 H LYS A 47 4.027 3.111 6.921 1.00 0.00 H new ATOM 0 HA LYS A 47 6.610 2.450 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.325 0.916 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.837 2.599 9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.734 1.850 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.156 1.557 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.322 -0.525 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.053 -0.746 8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.424 -1.527 10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.597 0.169 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.527 -0.518 11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.159 0.394 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.087 -1.302 10.194 1.00 0.00 H new ATOM 719 N LEU A 48 5.304 0.365 5.749 1.00 0.00 N ATOM 720 CA LEU A 48 5.548 -0.857 4.992 1.00 0.00 C ATOM 721 C LEU A 48 6.719 -0.667 4.032 1.00 0.00 C ATOM 722 O LEU A 48 7.513 -1.581 3.815 1.00 0.00 O ATOM 723 CB LEU A 48 4.294 -1.263 4.211 1.00 0.00 C ATOM 724 CG LEU A 48 4.476 -2.457 3.270 1.00 0.00 C ATOM 725 CD1 LEU A 48 4.553 -3.752 4.062 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.345 -2.517 2.252 1.00 0.00 C ATOM 0 H LEU A 48 4.559 0.953 5.376 1.00 0.00 H new ATOM 0 HA LEU A 48 5.797 -1.650 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.502 -1.497 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.955 -0.407 3.627 1.00 0.00 H new ATOM 0 HG LEU A 48 5.414 -2.328 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.682 -4.590 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.399 -3.709 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.632 -3.886 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.494 -3.373 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.393 -2.620 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.338 -1.601 1.661 1.00 0.00 H new ATOM 738 N LYS A 49 6.813 0.528 3.460 1.00 0.00 N ATOM 739 CA LYS A 49 7.880 0.850 2.519 1.00 0.00 C ATOM 740 C LYS A 49 9.250 0.782 3.188 1.00 0.00 C ATOM 741 O LYS A 49 10.022 -0.148 2.953 1.00 0.00 O ATOM 742 CB LYS A 49 7.655 2.246 1.932 1.00 0.00 C ATOM 743 CG LYS A 49 7.740 2.289 0.416 1.00 0.00 C ATOM 744 CD LYS A 49 9.025 2.953 -0.055 1.00 0.00 C ATOM 745 CE LYS A 49 9.101 4.401 0.398 1.00 0.00 C ATOM 746 NZ LYS A 49 9.976 5.215 -0.490 1.00 0.00 N ATOM 0 H LYS A 49 6.160 1.293 3.632 1.00 0.00 H new ATOM 0 HA LYS A 49 7.858 0.111 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.675 2.608 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.395 2.930 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.687 1.275 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.883 2.832 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.883 2.404 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.082 2.907 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.099 4.830 0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.481 4.443 1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.948 6.210 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.953 4.863 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.639 5.142 -1.471 1.00 0.00 H new ATOM 760 N THR A 50 9.548 1.781 4.014 1.00 0.00 N ATOM 761 CA THR A 50 10.828 1.852 4.715 1.00 0.00 C ATOM 762 C THR A 50 11.208 0.509 5.336 1.00 0.00 C ATOM 763 O THR A 50 12.389 0.180 5.442 1.00 0.00 O ATOM 764 CB THR A 50 10.782 2.937 5.796 1.00 0.00 C ATOM 765 OG1 THR A 50 11.843 2.771 6.720 1.00 0.00 O ATOM 766 CG2 THR A 50 9.488 2.954 6.583 1.00 0.00 C ATOM 0 H THR A 50 8.917 2.557 4.215 1.00 0.00 H new ATOM 0 HA THR A 50 11.592 2.107 3.980 1.00 0.00 H new ATOM 0 HB THR A 50 10.869 3.880 5.256 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.797 3.474 7.401 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.527 3.747 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.653 3.134 5.906 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.352 1.994 7.080 1.00 0.00 H new ATOM 774 N ARG A 51 10.206 -0.265 5.740 1.00 0.00 N ATOM 775 CA ARG A 51 10.455 -1.569 6.341 1.00 0.00 C ATOM 776 C ARG A 51 11.167 -2.487 5.353 1.00 0.00 C ATOM 777 O ARG A 51 12.261 -2.980 5.628 1.00 0.00 O ATOM 778 CB ARG A 51 9.145 -2.207 6.802 1.00 0.00 C ATOM 779 CG ARG A 51 9.343 -3.434 7.678 1.00 0.00 C ATOM 780 CD ARG A 51 9.944 -3.065 9.024 1.00 0.00 C ATOM 781 NE ARG A 51 10.162 -4.238 9.867 1.00 0.00 N ATOM 782 CZ ARG A 51 10.843 -4.213 11.011 1.00 0.00 C ATOM 783 NH1 ARG A 51 11.376 -3.080 11.451 1.00 0.00 N ATOM 784 NH2 ARG A 51 10.992 -5.326 11.717 1.00 0.00 N ATOM 0 H ARG A 51 9.220 -0.014 5.663 1.00 0.00 H new ATOM 0 HA ARG A 51 11.098 -1.426 7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.564 -1.467 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.558 -2.486 5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.386 -3.932 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.995 -4.144 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.892 -2.549 8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.282 -2.368 9.537 1.00 0.00 H new ATOM 0 HE ARG A 51 9.770 -5.128 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.265 -2.221 10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.896 -3.068 12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.585 -6.200 11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.513 -5.308 12.593 1.00 0.00 H new ATOM 798 N LEU A 52 10.543 -2.708 4.197 1.00 0.00 N ATOM 799 CA LEU A 52 11.122 -3.561 3.162 1.00 0.00 C ATOM 800 C LEU A 52 12.586 -3.207 2.922 1.00 0.00 C ATOM 801 O LEU A 52 13.401 -4.071 2.601 1.00 0.00 O ATOM 802 CB LEU A 52 10.339 -3.422 1.854 1.00 0.00 C ATOM 803 CG LEU A 52 8.850 -3.757 1.949 1.00 0.00 C ATOM 804 CD1 LEU A 52 8.093 -3.169 0.769 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.648 -5.262 2.017 1.00 0.00 C ATOM 0 H LEU A 52 9.637 -2.308 3.954 1.00 0.00 H new ATOM 0 HA LEU A 52 11.063 -4.593 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.443 -2.398 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.794 -4.071 1.106 1.00 0.00 H new ATOM 0 HG LEU A 52 8.455 -3.314 2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.035 -3.418 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.211 -2.085 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.489 -3.581 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.583 -5.483 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.059 -5.725 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.157 -5.658 2.896 1.00 0.00 H new ATOM 817 N GLU A 53 12.912 -1.928 3.081 1.00 0.00 N ATOM 818 CA GLU A 53 14.278 -1.460 2.884 1.00 0.00 C ATOM 819 C GLU A 53 15.215 -2.071 3.922 1.00 0.00 C ATOM 820 O GLU A 53 16.340 -2.458 3.606 1.00 0.00 O ATOM 821 CB GLU A 53 14.335 0.067 2.965 1.00 0.00 C ATOM 822 CG GLU A 53 13.418 0.764 1.973 1.00 0.00 C ATOM 823 CD GLU A 53 13.715 2.246 1.847 1.00 0.00 C ATOM 824 OE1 GLU A 53 14.613 2.606 1.057 1.00 0.00 O ATOM 825 OE2 GLU A 53 13.050 3.046 2.538 1.00 0.00 O ATOM 0 H GLU A 53 12.249 -1.199 3.345 1.00 0.00 H new ATOM 0 HA GLU A 53 14.604 -1.775 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.068 0.379 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.360 0.394 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.520 0.292 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.382 0.630 2.285 1.00 0.00 H new ATOM 832 N ARG A 54 14.741 -2.153 5.161 1.00 0.00 N ATOM 833 CA ARG A 54 15.533 -2.716 6.249 1.00 0.00 C ATOM 834 C ARG A 54 15.297 -4.219 6.386 1.00 0.00 C ATOM 835 O ARG A 54 16.116 -4.933 6.966 1.00 0.00 O ATOM 836 CB ARG A 54 15.196 -2.015 7.566 1.00 0.00 C ATOM 837 CG ARG A 54 15.211 -0.498 7.469 1.00 0.00 C ATOM 838 CD ARG A 54 16.606 0.061 7.699 1.00 0.00 C ATOM 839 NE ARG A 54 16.877 0.291 9.116 1.00 0.00 N ATOM 840 CZ ARG A 54 18.029 0.769 9.582 1.00 0.00 C ATOM 841 NH1 ARG A 54 19.018 1.068 8.749 1.00 0.00 N ATOM 842 NH2 ARG A 54 18.193 0.949 10.886 1.00 0.00 N ATOM 0 H ARG A 54 13.811 -1.836 5.437 1.00 0.00 H new ATOM 0 HA ARG A 54 16.585 -2.556 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.210 -2.340 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.909 -2.329 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.853 -0.192 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.524 -0.079 8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.345 -0.632 7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.716 0.998 7.152 1.00 0.00 H new ATOM 0 HE ARG A 54 16.141 0.073 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.898 0.932 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.898 1.434 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.437 0.721 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.075 1.315 11.243 1.00 0.00 H new ATOM 856 N ASP A 55 14.176 -4.695 5.851 1.00 0.00 N ATOM 857 CA ASP A 55 13.839 -6.113 5.918 1.00 0.00 C ATOM 858 C ASP A 55 14.439 -6.868 4.738 1.00 0.00 C ATOM 859 O ASP A 55 14.956 -7.974 4.892 1.00 0.00 O ATOM 860 CB ASP A 55 12.320 -6.297 5.938 1.00 0.00 C ATOM 861 CG ASP A 55 11.760 -6.322 7.346 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.929 -5.319 8.071 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.151 -7.345 7.725 1.00 0.00 O ATOM 0 H ASP A 55 13.487 -4.120 5.367 1.00 0.00 H new ATOM 0 HA ASP A 55 14.259 -6.519 6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.851 -5.488 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.063 -7.227 5.431 1.00 0.00 H new ATOM 868 N VAL A 56 14.367 -6.259 3.561 1.00 0.00 N ATOM 869 CA VAL A 56 14.903 -6.866 2.350 1.00 0.00 C ATOM 870 C VAL A 56 16.376 -6.521 2.176 1.00 0.00 C ATOM 871 O VAL A 56 17.153 -7.314 1.643 1.00 0.00 O ATOM 872 CB VAL A 56 14.132 -6.400 1.102 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.580 -7.177 -0.124 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.633 -6.542 1.316 1.00 0.00 C ATOM 0 H VAL A 56 13.941 -5.343 3.420 1.00 0.00 H new ATOM 0 HA VAL A 56 14.791 -7.945 2.457 1.00 0.00 H new ATOM 0 HB VAL A 56 14.352 -5.346 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.024 -6.833 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.646 -7.016 -0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.393 -8.240 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.105 -6.208 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.391 -7.587 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.328 -5.934 2.167 1.00 0.00 H new ATOM 884 N GLY A 57 16.752 -5.331 2.628 1.00 0.00 N ATOM 885 CA GLY A 57 18.131 -4.894 2.512 1.00 0.00 C ATOM 886 C GLY A 57 18.447 -4.322 1.144 1.00 0.00 C ATOM 887 O GLY A 57 19.612 -4.240 0.753 1.00 0.00 O ATOM 0 H GLY A 57 16.126 -4.660 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.335 -4.141 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.793 -5.736 2.712 1.00 0.00 H new ATOM 891 N SER A 58 17.409 -3.925 0.412 1.00 0.00 N ATOM 892 CA SER A 58 17.587 -3.358 -0.920 1.00 0.00 C ATOM 893 C SER A 58 16.868 -2.019 -1.041 1.00 0.00 C ATOM 894 O SER A 58 15.995 -1.697 -0.236 1.00 0.00 O ATOM 895 CB SER A 58 17.067 -4.327 -1.983 1.00 0.00 C ATOM 896 OG SER A 58 17.177 -5.671 -1.547 1.00 0.00 O ATOM 0 H SER A 58 16.438 -3.986 0.719 1.00 0.00 H new ATOM 0 HA SER A 58 18.653 -3.194 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.025 -4.099 -2.209 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.630 -4.194 -2.907 1.00 0.00 H new ATOM 0 HG SER A 58 16.836 -6.270 -2.244 1.00 0.00 H new ATOM 902 N THR A 59 17.241 -1.242 -2.053 1.00 0.00 N ATOM 903 CA THR A 59 16.631 0.062 -2.280 1.00 0.00 C ATOM 904 C THR A 59 15.315 -0.080 -3.039 1.00 0.00 C ATOM 905 O THR A 59 15.236 -0.802 -4.033 1.00 0.00 O ATOM 906 CB THR A 59 17.588 0.971 -3.056 1.00 0.00 C ATOM 907 OG1 THR A 59 18.615 0.213 -3.670 1.00 0.00 O ATOM 908 CG2 THR A 59 18.249 2.021 -2.189 1.00 0.00 C ATOM 0 H THR A 59 17.963 -1.493 -2.728 1.00 0.00 H new ATOM 0 HA THR A 59 16.424 0.513 -1.309 1.00 0.00 H new ATOM 0 HB THR A 59 16.970 1.472 -3.800 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.214 0.812 -4.162 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.914 2.631 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.485 2.655 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.825 1.533 -1.402 1.00 0.00 H new ATOM 916 N ILE A 60 14.285 0.611 -2.563 1.00 0.00 N ATOM 917 CA ILE A 60 12.974 0.560 -3.197 1.00 0.00 C ATOM 918 C ILE A 60 12.810 1.696 -4.208 1.00 0.00 C ATOM 919 O ILE A 60 13.006 2.864 -3.872 1.00 0.00 O ATOM 920 CB ILE A 60 11.842 0.634 -2.150 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.499 0.290 -2.794 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.792 2.012 -1.503 1.00 0.00 C ATOM 923 CD1 ILE A 60 10.014 -1.106 -2.467 1.00 0.00 C ATOM 0 H ILE A 60 14.333 1.213 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 60 12.906 -0.394 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 60 12.048 -0.098 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.752 1.012 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.587 0.392 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.987 2.040 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.741 2.216 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.612 2.767 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.056 -1.282 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.742 -1.836 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.894 -1.206 -1.388 1.00 0.00 H new ATOM 935 N PRO A 61 12.458 1.371 -5.467 1.00 0.00 N ATOM 936 CA PRO A 61 12.282 2.368 -6.520 1.00 0.00 C ATOM 937 C PRO A 61 10.864 2.930 -6.582 1.00 0.00 C ATOM 938 O PRO A 61 10.362 3.246 -7.661 1.00 0.00 O ATOM 939 CB PRO A 61 12.591 1.565 -7.778 1.00 0.00 C ATOM 940 CG PRO A 61 12.110 0.184 -7.470 1.00 0.00 C ATOM 941 CD PRO A 61 12.215 0.006 -5.972 1.00 0.00 C ATOM 0 HA PRO A 61 12.913 3.244 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.080 1.978 -8.648 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.658 1.573 -8.001 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.081 0.050 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.713 -0.560 -7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.301 -0.417 -5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.029 -0.669 -5.706 1.00 0.00 H new ATOM 949 N TYR A 62 10.219 3.055 -5.425 1.00 0.00 N ATOM 950 CA TYR A 62 8.862 3.582 -5.366 1.00 0.00 C ATOM 951 C TYR A 62 8.852 5.006 -4.822 1.00 0.00 C ATOM 952 O TYR A 62 9.388 5.276 -3.747 1.00 0.00 O ATOM 953 CB TYR A 62 7.982 2.682 -4.498 1.00 0.00 C ATOM 954 CG TYR A 62 7.698 1.339 -5.129 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.318 1.246 -6.461 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.814 0.166 -4.396 1.00 0.00 C ATOM 957 CE1 TYR A 62 7.061 0.022 -7.045 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.560 -1.064 -4.973 1.00 0.00 C ATOM 959 CZ TYR A 62 7.183 -1.130 -6.297 1.00 0.00 C ATOM 960 OH TYR A 62 6.930 -2.353 -6.874 1.00 0.00 O ATOM 0 H TYR A 62 10.614 2.799 -4.520 1.00 0.00 H new ATOM 0 HA TYR A 62 8.462 3.601 -6.380 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.469 2.528 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.038 3.190 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.222 2.146 -7.050 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.108 0.215 -3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.766 -0.033 -8.082 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.656 -1.968 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 62 7.674 -2.963 -6.687 1.00 0.00 H new ATOM 970 N ASP A 63 8.240 5.914 -5.575 1.00 0.00 N ATOM 971 CA ASP A 63 8.160 7.314 -5.173 1.00 0.00 C ATOM 972 C ASP A 63 7.217 7.489 -3.988 1.00 0.00 C ATOM 973 O ASP A 63 6.051 7.099 -4.046 1.00 0.00 O ATOM 974 CB ASP A 63 7.688 8.175 -6.346 1.00 0.00 C ATOM 975 CG ASP A 63 8.819 8.539 -7.288 1.00 0.00 C ATOM 976 OD1 ASP A 63 9.497 9.557 -7.037 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.027 7.804 -8.277 1.00 0.00 O ATOM 0 H ASP A 63 7.792 5.706 -6.467 1.00 0.00 H new ATOM 0 HA ASP A 63 9.156 7.636 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.916 7.639 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.230 9.087 -5.963 1.00 0.00 H new ATOM 982 N PHE A 64 7.730 8.079 -2.913 1.00 0.00 N ATOM 983 CA PHE A 64 6.933 8.308 -1.714 1.00 0.00 C ATOM 984 C PHE A 64 7.344 9.610 -1.029 1.00 0.00 C ATOM 985 O PHE A 64 8.303 9.639 -0.258 1.00 0.00 O ATOM 986 CB PHE A 64 7.093 7.136 -0.744 1.00 0.00 C ATOM 987 CG PHE A 64 5.894 6.912 0.131 1.00 0.00 C ATOM 988 CD1 PHE A 64 5.367 7.947 0.886 1.00 0.00 C ATOM 989 CD2 PHE A 64 5.294 5.665 0.200 1.00 0.00 C ATOM 990 CE1 PHE A 64 4.264 7.743 1.693 1.00 0.00 C ATOM 991 CE2 PHE A 64 4.191 5.454 1.004 1.00 0.00 C ATOM 992 CZ PHE A 64 3.675 6.495 1.752 1.00 0.00 C ATOM 0 H PHE A 64 8.694 8.407 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 64 5.887 8.389 -2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.291 6.228 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.964 7.313 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.824 8.925 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.694 4.848 -0.382 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.863 8.558 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.733 4.477 1.048 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.813 6.333 2.382 1.00 0.00 H new ATOM 1002 N PRO A 65 6.622 10.712 -1.303 1.00 0.00 N ATOM 1003 CA PRO A 65 6.918 12.016 -0.712 1.00 0.00 C ATOM 1004 C PRO A 65 6.336 12.166 0.689 1.00 0.00 C ATOM 1005 O PRO A 65 5.120 12.243 0.862 1.00 0.00 O ATOM 1006 CB PRO A 65 6.241 12.984 -1.678 1.00 0.00 C ATOM 1007 CG PRO A 65 5.065 12.230 -2.199 1.00 0.00 C ATOM 1008 CD PRO A 65 5.462 10.774 -2.216 1.00 0.00 C ATOM 0 HA PRO A 65 7.988 12.182 -0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.933 13.899 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.914 13.276 -2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.192 12.387 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.798 12.571 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.649 10.134 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.726 10.443 -3.221 1.00 0.00 H new ATOM 1258 N TYR A 79 -6.171 15.395 9.057 1.00 0.00 N ATOM 1259 CA TYR A 79 -6.093 14.062 8.468 1.00 0.00 C ATOM 1260 C TYR A 79 -7.370 13.720 7.704 1.00 0.00 C ATOM 1261 O TYR A 79 -7.360 12.872 6.812 1.00 0.00 O ATOM 1262 CB TYR A 79 -5.838 13.017 9.556 1.00 0.00 C ATOM 1263 CG TYR A 79 -6.944 12.926 10.584 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -6.989 13.800 11.663 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -7.943 11.967 10.474 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -7.997 13.719 12.605 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -8.955 11.880 11.412 1.00 0.00 C ATOM 1268 CZ TYR A 79 -8.977 12.758 12.474 1.00 0.00 C ATOM 1269 OH TYR A 79 -9.983 12.675 13.410 1.00 0.00 O ATOM 0 HA TYR A 79 -5.262 14.055 7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.709 12.042 9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.902 13.254 10.062 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.224 14.555 11.767 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.929 11.278 9.642 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.017 14.405 13.439 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.724 11.128 11.313 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.738 12.020 14.096 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.467 14.382 8.059 1.00 0.00 N ATOM 1280 CA ASP A 80 -9.747 14.143 7.403 1.00 0.00 C ATOM 1281 C ASP A 80 -10.043 15.224 6.368 1.00 0.00 C ATOM 1282 O ASP A 80 -11.200 15.569 6.130 1.00 0.00 O ATOM 1283 CB ASP A 80 -10.872 14.091 8.438 1.00 0.00 C ATOM 1284 CG ASP A 80 -10.969 15.367 9.252 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -10.096 15.586 10.118 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -11.917 16.147 9.024 1.00 0.00 O ATOM 0 H ASP A 80 -8.495 15.087 8.796 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.688 13.183 6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.820 13.914 7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.707 13.248 9.108 1.00 0.00 H new ATOM 1291 N ASP A 81 -8.989 15.754 5.754 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.139 16.795 4.743 1.00 0.00 C ATOM 1293 C ASP A 81 -9.185 16.190 3.340 1.00 0.00 C ATOM 1294 O ASP A 81 -8.238 15.532 2.911 1.00 0.00 O ATOM 1295 CB ASP A 81 -7.985 17.796 4.838 1.00 0.00 C ATOM 1296 CG ASP A 81 -8.360 19.163 4.301 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.383 19.719 4.753 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -7.630 19.679 3.428 1.00 0.00 O ATOM 0 H ASP A 81 -8.024 15.480 5.939 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.080 17.313 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.674 17.890 5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.129 17.413 4.283 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.291 16.403 2.601 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.445 15.870 1.243 1.00 0.00 C ATOM 1305 C PRO A 82 -9.264 16.224 0.344 1.00 0.00 C ATOM 1306 O PRO A 82 -8.851 15.426 -0.497 1.00 0.00 O ATOM 1307 CB PRO A 82 -11.721 16.545 0.737 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.494 16.864 1.969 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.474 17.175 3.028 1.00 0.00 C ATOM 0 HA PRO A 82 -10.492 14.781 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.493 17.446 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.283 15.885 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.157 17.713 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.120 16.023 2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.260 18.243 3.079 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.816 16.871 4.017 1.00 0.00 H new ATOM 1317 N GLU A 83 -8.725 17.426 0.528 1.00 0.00 N ATOM 1318 CA GLU A 83 -7.591 17.885 -0.267 1.00 0.00 C ATOM 1319 C GLU A 83 -6.409 16.930 -0.133 1.00 0.00 C ATOM 1320 O GLU A 83 -5.777 16.565 -1.124 1.00 0.00 O ATOM 1321 CB GLU A 83 -7.175 19.293 0.165 1.00 0.00 C ATOM 1322 CG GLU A 83 -8.062 20.390 -0.400 1.00 0.00 C ATOM 1323 CD GLU A 83 -7.417 21.759 -0.323 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -6.915 22.118 0.763 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -7.414 22.473 -1.348 1.00 0.00 O ATOM 0 H GLU A 83 -9.055 18.099 1.220 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.899 17.909 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.190 19.349 1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.146 19.471 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.298 20.162 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.006 20.406 0.145 1.00 0.00 H new ATOM 1332 N MET A 84 -6.120 16.526 1.100 1.00 0.00 N ATOM 1333 CA MET A 84 -5.017 15.610 1.364 1.00 0.00 C ATOM 1334 C MET A 84 -5.428 14.171 1.072 1.00 0.00 C ATOM 1335 O MET A 84 -4.612 13.356 0.642 1.00 0.00 O ATOM 1336 CB MET A 84 -4.559 15.738 2.819 1.00 0.00 C ATOM 1337 CG MET A 84 -3.406 14.815 3.179 1.00 0.00 C ATOM 1338 SD MET A 84 -3.597 14.066 4.808 1.00 0.00 S ATOM 1339 CE MET A 84 -5.214 13.313 4.647 1.00 0.00 C ATOM 0 H MET A 84 -6.634 16.818 1.931 1.00 0.00 H new ATOM 0 HA MET A 84 -4.189 15.874 0.706 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.260 16.769 3.007 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.402 15.525 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.328 14.028 2.429 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.473 15.377 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.278 12.444 5.302 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.981 14.035 4.926 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.369 13.000 3.614 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.700 13.868 1.307 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.227 12.529 1.070 1.00 0.00 C ATOM 1351 C ILE A 85 -7.245 12.206 -0.423 1.00 0.00 C ATOM 1352 O ILE A 85 -6.939 11.085 -0.830 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.652 12.383 1.652 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.598 12.379 3.181 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.330 11.118 1.138 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.809 13.011 3.830 1.00 0.00 C ATOM 0 H ILE A 85 -7.387 14.533 1.662 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.568 11.823 1.575 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.244 13.236 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.504 11.351 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.703 12.910 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.330 11.042 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.401 11.159 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.744 10.247 1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.702 12.973 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.893 14.050 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.706 12.467 3.534 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.609 13.194 -1.234 1.00 0.00 N ATOM 1369 CA ASP A 86 -7.673 13.018 -2.682 1.00 0.00 C ATOM 1370 C ASP A 86 -6.374 12.429 -3.229 1.00 0.00 C ATOM 1371 O ASP A 86 -6.389 11.431 -3.949 1.00 0.00 O ATOM 1372 CB ASP A 86 -7.965 14.355 -3.365 1.00 0.00 C ATOM 1373 CG ASP A 86 -8.813 14.195 -4.612 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -9.691 13.307 -4.623 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -8.598 14.957 -5.578 1.00 0.00 O ATOM 0 H ASP A 86 -7.865 14.128 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.481 12.318 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.476 15.014 -2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.024 14.838 -3.628 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.252 13.056 -2.886 1.00 0.00 N ATOM 1381 CA GLU A 87 -3.948 12.593 -3.348 1.00 0.00 C ATOM 1382 C GLU A 87 -3.539 11.306 -2.641 1.00 0.00 C ATOM 1383 O GLU A 87 -3.012 10.387 -3.266 1.00 0.00 O ATOM 1384 CB GLU A 87 -2.889 13.673 -3.120 1.00 0.00 C ATOM 1385 CG GLU A 87 -2.897 14.766 -4.176 1.00 0.00 C ATOM 1386 CD GLU A 87 -4.191 15.557 -4.187 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -4.304 16.522 -3.402 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -5.091 15.211 -4.980 1.00 0.00 O ATOM 0 H GLU A 87 -5.220 13.884 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.025 12.387 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.048 14.124 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.904 13.206 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.062 15.444 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.740 14.319 -5.158 1.00 0.00 H new ATOM 1395 N ARG A 88 -3.789 11.241 -1.337 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.447 10.056 -0.557 1.00 0.00 C ATOM 1397 C ARG A 88 -4.045 8.800 -1.189 1.00 0.00 C ATOM 1398 O ARG A 88 -3.546 7.693 -0.988 1.00 0.00 O ATOM 1399 CB ARG A 88 -3.939 10.206 0.884 1.00 0.00 C ATOM 1400 CG ARG A 88 -2.828 10.117 1.919 1.00 0.00 C ATOM 1401 CD ARG A 88 -2.206 11.477 2.193 1.00 0.00 C ATOM 1402 NE ARG A 88 -0.760 11.470 1.979 1.00 0.00 N ATOM 1403 CZ ARG A 88 0.074 12.361 2.510 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -0.388 13.335 3.284 1.00 0.00 N ATOM 1405 NH2 ARG A 88 1.375 12.278 2.266 1.00 0.00 N ATOM 0 H ARG A 88 -4.225 11.991 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.362 9.955 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.445 11.166 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.678 9.432 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.226 9.705 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.059 9.429 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.665 12.223 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.419 11.773 3.220 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.367 10.738 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.388 13.404 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.256 14.015 3.688 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.736 11.532 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.015 12.961 2.673 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.117 8.984 -1.956 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.785 7.873 -2.621 1.00 0.00 C ATOM 1421 C ARG A 89 -4.866 7.212 -3.642 1.00 0.00 C ATOM 1422 O ARG A 89 -4.573 6.020 -3.547 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.057 8.362 -3.313 1.00 0.00 C ATOM 1424 CG ARG A 89 -7.913 7.240 -3.878 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.073 6.904 -2.955 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.191 7.830 -3.122 1.00 0.00 N ATOM 1427 CZ ARG A 89 -10.934 7.905 -4.224 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -10.683 7.110 -5.257 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -11.931 8.776 -4.293 1.00 0.00 N ATOM 0 H ARG A 89 -5.541 9.895 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.046 7.134 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.650 8.937 -2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.783 9.041 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.297 7.531 -4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.298 6.353 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.412 5.887 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.732 6.930 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.415 8.456 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.918 6.437 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.255 7.172 -6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.129 9.389 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.500 8.834 -5.137 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.418 7.991 -4.624 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.538 7.469 -5.664 1.00 0.00 C ATOM 1445 C ILE A 90 -2.135 7.212 -5.128 1.00 0.00 C ATOM 1446 O ILE A 90 -1.786 7.648 -4.031 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.448 8.415 -6.880 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.217 9.864 -6.439 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.707 8.307 -7.724 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -1.835 10.113 -5.878 1.00 0.00 C ATOM 0 H ILE A 90 -4.649 8.980 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.980 6.527 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.593 8.111 -7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.379 10.524 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.959 10.128 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.631 8.979 -8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.821 7.282 -8.077 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.573 8.582 -7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.744 11.159 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.677 9.479 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.087 9.881 -6.636 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.335 6.497 -5.912 1.00 0.00 N ATOM 1463 CA GLY A 91 0.024 6.188 -5.504 1.00 0.00 C ATOM 1464 C GLY A 91 0.131 4.859 -4.779 1.00 0.00 C ATOM 1465 O GLY A 91 1.187 4.226 -4.786 1.00 0.00 O ATOM 0 H GLY A 91 -1.603 6.126 -6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.668 6.170 -6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.393 6.982 -4.855 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.960 4.437 -4.149 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.980 3.177 -3.413 1.00 0.00 C ATOM 1471 C LEU A 92 -1.149 1.992 -4.358 1.00 0.00 C ATOM 1472 O LEU A 92 -0.374 1.037 -4.316 1.00 0.00 O ATOM 1473 CB LEU A 92 -2.108 3.184 -2.380 1.00 0.00 C ATOM 1474 CG LEU A 92 -2.109 4.384 -1.430 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.256 4.276 -0.437 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.778 4.487 -0.701 1.00 0.00 C ATOM 0 H LEU A 92 -1.842 4.949 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.024 3.073 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.062 3.156 -2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.043 2.271 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.249 5.291 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.242 5.137 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.203 4.251 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.147 3.362 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.796 5.346 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.608 3.578 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.026 4.611 -1.427 1.00 0.00 H new ATOM 1488 N GLU A 93 -2.170 2.058 -5.208 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.443 0.987 -6.162 1.00 0.00 C ATOM 1490 C GLU A 93 -1.216 0.683 -7.016 1.00 0.00 C ATOM 1491 O GLU A 93 -0.909 -0.478 -7.287 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.622 1.366 -7.061 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.470 2.725 -7.723 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.790 3.457 -7.861 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -5.715 2.900 -8.489 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -4.899 4.587 -7.341 1.00 0.00 O ATOM 0 H GLU A 93 -2.822 2.841 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.696 0.091 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.738 0.606 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.537 1.360 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.780 3.334 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.025 2.597 -8.710 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.518 1.732 -7.437 1.00 0.00 N ATOM 1504 CA ARG A 94 0.675 1.575 -8.261 1.00 0.00 C ATOM 1505 C ARG A 94 1.789 0.885 -7.480 1.00 0.00 C ATOM 1506 O ARG A 94 2.486 0.019 -8.009 1.00 0.00 O ATOM 1507 CB ARG A 94 1.156 2.938 -8.762 1.00 0.00 C ATOM 1508 CG ARG A 94 0.479 3.385 -10.049 1.00 0.00 C ATOM 1509 CD ARG A 94 -0.235 4.717 -9.876 1.00 0.00 C ATOM 1510 NE ARG A 94 -0.002 5.612 -11.006 1.00 0.00 N ATOM 1511 CZ ARG A 94 -0.659 6.754 -11.195 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -1.591 7.142 -10.333 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -0.385 7.510 -12.250 1.00 0.00 N ATOM 0 H ARG A 94 -0.758 2.700 -7.221 1.00 0.00 H new ATOM 0 HA ARG A 94 0.416 0.951 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.977 3.685 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.233 2.898 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.223 3.471 -10.841 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.237 2.627 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.305 4.543 -9.766 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.107 5.195 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 94 0.706 5.346 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.807 6.564 -9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.091 8.018 -10.483 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.329 7.216 -12.916 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.888 8.385 -12.395 1.00 0.00 H new ATOM 1527 N PHE A 95 1.951 1.275 -6.221 1.00 0.00 N ATOM 1528 CA PHE A 95 2.980 0.696 -5.365 1.00 0.00 C ATOM 1529 C PHE A 95 2.753 -0.802 -5.166 1.00 0.00 C ATOM 1530 O PHE A 95 3.676 -1.535 -4.810 1.00 0.00 O ATOM 1531 CB PHE A 95 3.001 1.405 -4.010 1.00 0.00 C ATOM 1532 CG PHE A 95 4.080 0.914 -3.087 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.923 -0.272 -2.387 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.249 1.639 -2.918 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.913 -0.725 -1.536 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.241 1.190 -2.068 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.074 0.007 -1.376 1.00 0.00 C ATOM 0 H PHE A 95 1.382 1.991 -5.770 1.00 0.00 H new ATOM 0 HA PHE A 95 3.943 0.833 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.133 2.475 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.033 1.273 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.017 -0.848 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.386 2.565 -3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.779 -1.651 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.147 1.764 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.849 -0.345 -0.711 1.00 0.00 H new ATOM 1547 N LEU A 96 1.521 -1.251 -5.395 1.00 0.00 N ATOM 1548 CA LEU A 96 1.181 -2.661 -5.236 1.00 0.00 C ATOM 1549 C LEU A 96 1.454 -3.442 -6.519 1.00 0.00 C ATOM 1550 O LEU A 96 2.202 -4.418 -6.513 1.00 0.00 O ATOM 1551 CB LEU A 96 -0.289 -2.810 -4.837 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.624 -2.358 -3.415 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -2.089 -2.619 -3.102 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.271 -3.063 -2.407 1.00 0.00 C ATOM 0 H LEU A 96 0.744 -0.660 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 96 1.810 -3.071 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.899 -2.238 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.575 -3.856 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.444 -1.285 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.308 -2.291 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.715 -2.068 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.296 -3.685 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.019 -2.729 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.123 -4.140 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.314 -2.825 -2.617 1.00 0.00 H new ATOM 1566 N ASN A 97 0.837 -3.007 -7.616 1.00 0.00 N ATOM 1567 CA ASN A 97 1.005 -3.665 -8.910 1.00 0.00 C ATOM 1568 C ASN A 97 2.471 -3.989 -9.190 1.00 0.00 C ATOM 1569 O ASN A 97 2.828 -5.146 -9.413 1.00 0.00 O ATOM 1570 CB ASN A 97 0.447 -2.778 -10.027 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.893 -3.267 -10.538 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.969 -4.258 -11.263 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.959 -2.571 -10.161 1.00 0.00 N ATOM 0 H ASN A 97 0.214 -2.199 -7.634 1.00 0.00 H new ATOM 0 HA ASN A 97 0.453 -4.604 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.342 -1.758 -9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.158 -2.747 -10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.888 -2.852 -10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.849 -1.755 -9.559 1.00 0.00 H new ATOM 1580 N GLU A 98 3.315 -2.962 -9.182 1.00 0.00 N ATOM 1581 CA GLU A 98 4.741 -3.141 -9.440 1.00 0.00 C ATOM 1582 C GLU A 98 5.347 -4.163 -8.484 1.00 0.00 C ATOM 1583 O GLU A 98 6.100 -5.045 -8.899 1.00 0.00 O ATOM 1584 CB GLU A 98 5.477 -1.807 -9.311 1.00 0.00 C ATOM 1585 CG GLU A 98 6.935 -1.873 -9.741 1.00 0.00 C ATOM 1586 CD GLU A 98 7.262 -0.894 -10.851 1.00 0.00 C ATOM 1587 OE1 GLU A 98 6.344 -0.544 -11.623 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.435 -0.476 -10.948 1.00 0.00 O ATOM 0 H GLU A 98 3.037 -1.998 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 98 4.853 -3.514 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.963 -1.058 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.427 -1.472 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.573 -1.668 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.166 -2.885 -10.075 1.00 0.00 H new ATOM 1595 N LEU A 99 5.013 -4.041 -7.204 1.00 0.00 N ATOM 1596 CA LEU A 99 5.525 -4.958 -6.193 1.00 0.00 C ATOM 1597 C LEU A 99 5.030 -6.377 -6.449 1.00 0.00 C ATOM 1598 O LEU A 99 5.823 -7.308 -6.588 1.00 0.00 O ATOM 1599 CB LEU A 99 5.102 -4.505 -4.798 1.00 0.00 C ATOM 1600 CG LEU A 99 5.917 -5.111 -3.655 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.235 -4.058 -2.607 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.173 -6.282 -3.034 1.00 0.00 C ATOM 0 H LEU A 99 4.391 -3.318 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 99 6.613 -4.952 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.179 -3.419 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.052 -4.758 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 99 6.859 -5.480 -4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.815 -4.509 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.812 -3.253 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.306 -3.655 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.767 -6.701 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.215 -5.938 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.002 -7.047 -3.791 1.00 0.00 H new ATOM 1614 N TYR A 100 3.713 -6.531 -6.514 1.00 0.00 N ATOM 1615 CA TYR A 100 3.105 -7.833 -6.756 1.00 0.00 C ATOM 1616 C TYR A 100 3.521 -8.391 -8.117 1.00 0.00 C ATOM 1617 O TYR A 100 3.401 -9.590 -8.367 1.00 0.00 O ATOM 1618 CB TYR A 100 1.578 -7.727 -6.672 1.00 0.00 C ATOM 1619 CG TYR A 100 1.055 -7.359 -5.295 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.916 -7.181 -4.215 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.307 -7.188 -5.078 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.433 -6.845 -2.965 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.796 -6.851 -3.829 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.078 -6.681 -2.777 1.00 0.00 C ATOM 1625 OH TYR A 100 -0.406 -6.346 -1.534 1.00 0.00 O ATOM 0 H TYR A 100 3.045 -5.769 -6.402 1.00 0.00 H new ATOM 0 HA TYR A 100 3.458 -8.520 -5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.237 -6.981 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.142 -8.680 -6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.979 -7.308 -4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.996 -7.321 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.115 -6.711 -2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.858 -6.722 -3.679 1.00 0.00 H new ATOM 0 HH TYR A 100 0.265 -5.817 -1.053 1.00 0.00 H new ATOM 1635 N ASN A 101 4.012 -7.516 -8.993 1.00 0.00 N ATOM 1636 CA ASN A 101 4.446 -7.928 -10.324 1.00 0.00 C ATOM 1637 C ASN A 101 5.884 -8.442 -10.294 1.00 0.00 C ATOM 1638 O ASN A 101 6.751 -7.935 -11.006 1.00 0.00 O ATOM 1639 CB ASN A 101 4.331 -6.760 -11.306 1.00 0.00 C ATOM 1640 CG ASN A 101 2.996 -6.736 -12.022 1.00 0.00 C ATOM 1641 OD1 ASN A 101 2.021 -6.173 -11.524 1.00 0.00 O ATOM 1642 ND2 ASN A 101 2.945 -7.350 -13.199 1.00 0.00 N ATOM 0 H ASN A 101 4.119 -6.519 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 101 3.796 -8.738 -10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 101 4.469 -5.822 -10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.133 -6.827 -12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.073 -7.367 -13.728 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.778 -7.804 -13.574 1.00 0.00 H new ATOM 1649 N ASP A 102 6.130 -9.451 -9.466 1.00 0.00 N ATOM 1650 CA ASP A 102 7.463 -10.030 -9.347 1.00 0.00 C ATOM 1651 C ASP A 102 7.825 -10.821 -10.600 1.00 0.00 C ATOM 1652 O ASP A 102 6.961 -11.426 -11.235 1.00 0.00 O ATOM 1653 CB ASP A 102 7.542 -10.935 -8.117 1.00 0.00 C ATOM 1654 CG ASP A 102 6.581 -12.105 -8.196 1.00 0.00 C ATOM 1655 OD1 ASP A 102 5.390 -11.876 -8.496 1.00 0.00 O ATOM 1656 OD2 ASP A 102 7.019 -13.250 -7.959 1.00 0.00 O ATOM 0 H ASP A 102 5.426 -9.884 -8.869 1.00 0.00 H new ATOM 0 HA ASP A 102 8.178 -9.215 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.560 -11.311 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.324 -10.349 -7.224 1.00 0.00 H new ATOM 1661 N ARG A 103 9.107 -10.812 -10.950 1.00 0.00 N ATOM 1662 CA ARG A 103 9.581 -11.529 -12.129 1.00 0.00 C ATOM 1663 C ARG A 103 10.834 -12.339 -11.810 1.00 0.00 C ATOM 1664 O ARG A 103 10.835 -13.565 -11.914 1.00 0.00 O ATOM 1665 CB ARG A 103 9.870 -10.546 -13.265 1.00 0.00 C ATOM 1666 CG ARG A 103 8.688 -9.657 -13.615 1.00 0.00 C ATOM 1667 CD ARG A 103 9.140 -8.266 -14.031 1.00 0.00 C ATOM 1668 NE ARG A 103 8.010 -7.366 -14.249 1.00 0.00 N ATOM 1669 CZ ARG A 103 8.113 -6.039 -14.270 1.00 0.00 C ATOM 1670 NH1 ARG A 103 9.291 -5.454 -14.089 1.00 0.00 N ATOM 1671 NH2 ARG A 103 7.035 -5.293 -14.473 1.00 0.00 N ATOM 0 H ARG A 103 9.835 -10.317 -10.435 1.00 0.00 H new ATOM 0 HA ARG A 103 8.797 -12.219 -12.443 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.716 -9.918 -12.985 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.168 -11.106 -14.152 1.00 0.00 H new ATOM 0 HG2 ARG A 103 8.116 -10.112 -14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.021 -9.582 -12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.791 -7.851 -13.261 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.730 -8.335 -14.945 1.00 0.00 H new ATOM 0 HE ARG A 103 7.088 -7.779 -14.394 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.124 -6.022 -13.933 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.363 -4.437 -14.106 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.127 -5.736 -14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.114 -4.276 -14.489 1.00 0.00 H new ATOM 1685 N PHE A 104 11.899 -11.645 -11.424 1.00 0.00 N ATOM 1686 CA PHE A 104 13.159 -12.301 -11.093 1.00 0.00 C ATOM 1687 C PHE A 104 13.437 -12.230 -9.594 1.00 0.00 C ATOM 1688 O PHE A 104 14.085 -13.112 -9.031 1.00 0.00 O ATOM 1689 CB PHE A 104 14.311 -11.657 -11.866 1.00 0.00 C ATOM 1690 CG PHE A 104 14.331 -10.157 -11.776 1.00 0.00 C ATOM 1691 CD1 PHE A 104 13.561 -9.388 -12.635 1.00 0.00 C ATOM 1692 CD2 PHE A 104 15.119 -9.517 -10.833 1.00 0.00 C ATOM 1693 CE1 PHE A 104 13.577 -8.009 -12.554 1.00 0.00 C ATOM 1694 CE2 PHE A 104 15.139 -8.138 -10.748 1.00 0.00 C ATOM 1695 CZ PHE A 104 14.367 -7.383 -11.609 1.00 0.00 C ATOM 0 H PHE A 104 11.915 -10.629 -11.333 1.00 0.00 H new ATOM 0 HA PHE A 104 13.077 -13.350 -11.379 1.00 0.00 H new ATOM 0 HB2 PHE A 104 15.255 -12.048 -11.487 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.243 -11.949 -12.914 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.942 -9.872 -13.376 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.724 -10.103 -10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 104 12.973 -7.421 -13.229 1.00 0.00 H new ATOM 0 HE2 PHE A 104 15.758 -7.651 -10.009 1.00 0.00 H new ATOM 0 HZ PHE A 104 14.381 -6.305 -11.544 1.00 0.00 H new ATOM 1705 N ASP A 105 12.944 -11.175 -8.954 1.00 0.00 N ATOM 1706 CA ASP A 105 13.141 -10.991 -7.520 1.00 0.00 C ATOM 1707 C ASP A 105 11.833 -10.610 -6.835 1.00 0.00 C ATOM 1708 O ASP A 105 11.247 -9.568 -7.129 1.00 0.00 O ATOM 1709 CB ASP A 105 14.197 -9.913 -7.266 1.00 0.00 C ATOM 1710 CG ASP A 105 15.587 -10.495 -7.094 1.00 0.00 C ATOM 1711 OD1 ASP A 105 15.841 -11.127 -6.047 1.00 0.00 O ATOM 1712 OD2 ASP A 105 16.421 -10.319 -8.007 1.00 0.00 O ATOM 0 H ASP A 105 12.406 -10.435 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 105 13.486 -11.936 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.201 -9.209 -8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.929 -9.349 -6.373 1.00 0.00 H new ATOM 1717 N SER A 106 11.381 -11.460 -5.919 1.00 0.00 N ATOM 1718 CA SER A 106 10.142 -11.210 -5.191 1.00 0.00 C ATOM 1719 C SER A 106 10.413 -10.923 -3.718 1.00 0.00 C ATOM 1720 O SER A 106 9.505 -10.992 -2.891 1.00 0.00 O ATOM 1721 CB SER A 106 9.200 -12.408 -5.314 1.00 0.00 C ATOM 1722 OG SER A 106 9.184 -12.915 -6.636 1.00 0.00 O ATOM 0 H SER A 106 11.853 -12.327 -5.663 1.00 0.00 H new ATOM 0 HA SER A 106 9.671 -10.332 -5.633 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.513 -13.192 -4.625 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.192 -12.112 -5.023 1.00 0.00 H new ATOM 0 HG SER A 106 8.291 -13.263 -6.842 1.00 0.00 H new ATOM 1728 N ARG A 107 11.661 -10.598 -3.391 1.00 0.00 N ATOM 1729 CA ARG A 107 12.034 -10.300 -2.011 1.00 0.00 C ATOM 1730 C ARG A 107 11.117 -9.233 -1.423 1.00 0.00 C ATOM 1731 O ARG A 107 10.817 -9.241 -0.229 1.00 0.00 O ATOM 1732 CB ARG A 107 13.487 -9.828 -1.940 1.00 0.00 C ATOM 1733 CG ARG A 107 14.464 -10.751 -2.649 1.00 0.00 C ATOM 1734 CD ARG A 107 15.557 -9.967 -3.357 1.00 0.00 C ATOM 1735 NE ARG A 107 15.011 -9.011 -4.317 1.00 0.00 N ATOM 1736 CZ ARG A 107 15.758 -8.198 -5.061 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.081 -8.222 -4.959 1.00 0.00 N ATOM 1738 NH2 ARG A 107 15.180 -7.358 -5.909 1.00 0.00 N ATOM 0 H ARG A 107 12.428 -10.534 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 107 11.928 -11.215 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.558 -8.832 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.780 -9.738 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.913 -11.432 -1.926 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.927 -11.364 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 107 16.158 -9.436 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.223 -10.659 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 107 13.998 -8.963 -4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.531 -8.866 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.648 -7.597 -5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.164 -7.335 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 107 15.752 -6.735 -6.479 1.00 0.00 H new ATOM 1752 N TRP A 108 10.678 -8.317 -2.277 1.00 0.00 N ATOM 1753 CA TRP A 108 9.796 -7.235 -1.856 1.00 0.00 C ATOM 1754 C TRP A 108 8.463 -7.775 -1.344 1.00 0.00 C ATOM 1755 O TRP A 108 7.951 -7.316 -0.322 1.00 0.00 O ATOM 1756 CB TRP A 108 9.557 -6.267 -3.016 1.00 0.00 C ATOM 1757 CG TRP A 108 10.811 -5.608 -3.503 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.413 -5.785 -4.716 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.619 -4.668 -2.787 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.546 -5.012 -4.797 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.694 -4.317 -3.625 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.538 -4.088 -1.518 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.679 -3.413 -3.235 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.516 -3.191 -1.131 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.573 -2.861 -1.987 1.00 0.00 C ATOM 0 H TRP A 108 10.919 -8.302 -3.268 1.00 0.00 H new ATOM 0 HA TRP A 108 10.283 -6.703 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.094 -6.807 -3.842 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.850 -5.500 -2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.051 -6.437 -5.497 1.00 0.00 H new ATOM 0 HE1 TRP A 108 13.175 -4.963 -5.599 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.725 -4.336 -0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.496 -3.157 -3.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.464 -2.737 -0.152 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.321 -2.156 -1.656 1.00 0.00 H new ATOM 1776 N ARG A 109 7.900 -8.747 -2.057 1.00 0.00 N ATOM 1777 CA ARG A 109 6.624 -9.336 -1.664 1.00 0.00 C ATOM 1778 C ARG A 109 6.828 -10.543 -0.751 1.00 0.00 C ATOM 1779 O ARG A 109 5.933 -10.914 0.008 1.00 0.00 O ATOM 1780 CB ARG A 109 5.819 -9.742 -2.901 1.00 0.00 C ATOM 1781 CG ARG A 109 6.489 -10.813 -3.745 1.00 0.00 C ATOM 1782 CD ARG A 109 5.834 -10.930 -5.112 1.00 0.00 C ATOM 1783 NE ARG A 109 4.563 -11.649 -5.049 1.00 0.00 N ATOM 1784 CZ ARG A 109 4.465 -12.972 -4.953 1.00 0.00 C ATOM 1785 NH1 ARG A 109 5.558 -13.724 -4.908 1.00 0.00 N ATOM 1786 NH2 ARG A 109 3.271 -13.546 -4.900 1.00 0.00 N ATOM 0 H ARG A 109 8.305 -9.142 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 109 6.066 -8.582 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.840 -10.102 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.649 -8.860 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.546 -10.576 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.434 -11.772 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.667 -9.933 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.509 -11.446 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 109 3.701 -11.105 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.479 -13.288 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.477 -14.738 -4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.428 -12.973 -4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 109 3.196 -14.561 -4.826 1.00 0.00 H new ATOM 1800 N ASP A 110 8.008 -11.152 -0.827 1.00 0.00 N ATOM 1801 CA ASP A 110 8.321 -12.314 -0.003 1.00 0.00 C ATOM 1802 C ASP A 110 8.344 -11.944 1.477 1.00 0.00 C ATOM 1803 O ASP A 110 8.112 -12.789 2.342 1.00 0.00 O ATOM 1804 CB ASP A 110 9.669 -12.910 -0.413 1.00 0.00 C ATOM 1805 CG ASP A 110 9.666 -14.426 -0.377 1.00 0.00 C ATOM 1806 OD1 ASP A 110 8.817 -15.001 0.335 1.00 0.00 O ATOM 1807 OD2 ASP A 110 10.513 -15.038 -1.061 1.00 0.00 O ATOM 0 H ASP A 110 8.761 -10.860 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 110 7.540 -13.058 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.921 -12.574 -1.419 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.446 -12.535 0.253 1.00 0.00 H new ATOM 1812 N THR A 111 8.628 -10.675 1.763 1.00 0.00 N ATOM 1813 CA THR A 111 8.683 -10.191 3.137 1.00 0.00 C ATOM 1814 C THR A 111 7.389 -10.506 3.883 1.00 0.00 C ATOM 1815 O THR A 111 6.328 -10.648 3.275 1.00 0.00 O ATOM 1816 CB THR A 111 8.941 -8.682 3.154 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.144 -8.190 1.840 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.146 -8.292 3.979 1.00 0.00 C ATOM 0 H THR A 111 8.824 -9.964 1.059 1.00 0.00 H new ATOM 0 HA THR A 111 9.502 -10.702 3.643 1.00 0.00 H new ATOM 0 HB THR A 111 8.051 -8.243 3.606 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.277 -7.997 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.273 -7.210 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.000 -8.612 5.011 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.036 -8.773 3.573 1.00 0.00 H new ATOM 1826 N LYS A 112 7.486 -10.612 5.204 1.00 0.00 N ATOM 1827 CA LYS A 112 6.325 -10.907 6.034 1.00 0.00 C ATOM 1828 C LYS A 112 5.386 -9.706 6.099 1.00 0.00 C ATOM 1829 O LYS A 112 4.175 -9.861 6.254 1.00 0.00 O ATOM 1830 CB LYS A 112 6.767 -11.299 7.446 1.00 0.00 C ATOM 1831 CG LYS A 112 7.474 -12.643 7.510 1.00 0.00 C ATOM 1832 CD LYS A 112 8.775 -12.554 8.293 1.00 0.00 C ATOM 1833 CE LYS A 112 9.973 -12.426 7.367 1.00 0.00 C ATOM 1834 NZ LYS A 112 11.158 -11.856 8.067 1.00 0.00 N ATOM 0 H LYS A 112 8.357 -10.498 5.722 1.00 0.00 H new ATOM 0 HA LYS A 112 5.789 -11.743 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.432 -10.529 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.893 -11.326 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.818 -13.378 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.680 -12.995 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.739 -11.696 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.888 -13.442 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.226 -13.406 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.711 -11.791 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.954 -11.785 7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.925 -10.910 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.424 -12.475 8.859 1.00 0.00 H new ATOM 1848 N ILE A 113 5.954 -8.510 5.981 1.00 0.00 N ATOM 1849 CA ILE A 113 5.166 -7.284 6.028 1.00 0.00 C ATOM 1850 C ILE A 113 4.268 -7.160 4.801 1.00 0.00 C ATOM 1851 O ILE A 113 3.126 -6.711 4.898 1.00 0.00 O ATOM 1852 CB ILE A 113 6.068 -6.035 6.129 1.00 0.00 C ATOM 1853 CG1 ILE A 113 6.870 -5.838 4.841 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.006 -6.152 7.320 1.00 0.00 C ATOM 1855 CD1 ILE A 113 7.747 -4.607 4.868 1.00 0.00 C ATOM 0 H ILE A 113 6.955 -8.364 5.852 1.00 0.00 H new ATOM 0 HA ILE A 113 4.545 -7.341 6.922 1.00 0.00 H new ATOM 0 HB ILE A 113 5.428 -5.164 6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.493 -6.716 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.181 -5.767 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.635 -5.263 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.422 -6.242 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.635 -7.035 7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.289 -4.525 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.127 -3.722 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.459 -4.685 5.690 1.00 0.00 H new ATOM 1867 N ALA A 114 4.793 -7.559 3.648 1.00 0.00 N ATOM 1868 CA ALA A 114 4.040 -7.493 2.403 1.00 0.00 C ATOM 1869 C ALA A 114 2.883 -8.485 2.409 1.00 0.00 C ATOM 1870 O ALA A 114 1.762 -8.150 2.024 1.00 0.00 O ATOM 1871 CB ALA A 114 4.959 -7.753 1.219 1.00 0.00 C ATOM 0 H ALA A 114 5.738 -7.932 3.550 1.00 0.00 H new ATOM 0 HA ALA A 114 3.622 -6.491 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.384 -7.701 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.748 -7.001 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.404 -8.743 1.314 1.00 0.00 H new ATOM 1877 N GLN A 115 3.161 -9.707 2.852 1.00 0.00 N ATOM 1878 CA GLN A 115 2.142 -10.749 2.912 1.00 0.00 C ATOM 1879 C GLN A 115 1.088 -10.420 3.965 1.00 0.00 C ATOM 1880 O GLN A 115 -0.075 -10.800 3.833 1.00 0.00 O ATOM 1881 CB GLN A 115 2.784 -12.102 3.221 1.00 0.00 C ATOM 1882 CG GLN A 115 3.720 -12.596 2.130 1.00 0.00 C ATOM 1883 CD GLN A 115 2.985 -13.300 1.006 1.00 0.00 C ATOM 1884 OE1 GLN A 115 2.814 -14.519 1.030 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.545 -12.534 0.014 1.00 0.00 N ATOM 0 H GLN A 115 4.083 -10.000 3.175 1.00 0.00 H new ATOM 0 HA GLN A 115 1.653 -10.801 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.338 -12.026 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.998 -12.841 3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 115 4.275 -11.751 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.451 -13.278 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.709 -11.528 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.043 -12.952 -0.769 1.00 0.00 H new ATOM 1894 N ASP A 116 1.503 -9.711 5.010 1.00 0.00 N ATOM 1895 CA ASP A 116 0.594 -9.329 6.085 1.00 0.00 C ATOM 1896 C ASP A 116 -0.073 -7.986 5.793 1.00 0.00 C ATOM 1897 O ASP A 116 -1.086 -7.643 6.402 1.00 0.00 O ATOM 1898 CB ASP A 116 1.347 -9.258 7.415 1.00 0.00 C ATOM 1899 CG ASP A 116 1.399 -10.597 8.123 1.00 0.00 C ATOM 1900 OD1 ASP A 116 1.897 -11.570 7.518 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.942 -10.673 9.283 1.00 0.00 O ATOM 0 H ASP A 116 2.463 -9.389 5.135 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.184 -10.090 6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.363 -8.905 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.865 -8.526 8.063 1.00 0.00 H new ATOM 1906 N PHE A 117 0.502 -7.228 4.863 1.00 0.00 N ATOM 1907 CA PHE A 117 -0.034 -5.922 4.496 1.00 0.00 C ATOM 1908 C PHE A 117 -1.520 -6.004 4.155 1.00 0.00 C ATOM 1909 O PHE A 117 -2.319 -5.197 4.628 1.00 0.00 O ATOM 1910 CB PHE A 117 0.739 -5.355 3.306 1.00 0.00 C ATOM 1911 CG PHE A 117 0.528 -3.884 3.104 1.00 0.00 C ATOM 1912 CD1 PHE A 117 0.822 -2.986 4.116 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.035 -3.400 1.904 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.629 -1.630 3.935 1.00 0.00 C ATOM 1915 CE2 PHE A 117 -0.161 -2.045 1.716 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.136 -1.159 2.733 1.00 0.00 C ATOM 0 H PHE A 117 1.341 -7.497 4.349 1.00 0.00 H new ATOM 0 HA PHE A 117 0.080 -5.261 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.803 -5.545 3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.439 -5.885 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.207 -3.350 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.199 -4.089 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.863 -0.939 4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.546 -1.680 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 117 -0.017 -0.100 2.589 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.882 -6.978 3.327 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.272 -7.155 2.921 1.00 0.00 C ATOM 1928 C LEU A 118 -3.879 -8.410 3.544 1.00 0.00 C ATOM 1929 O LEU A 118 -4.861 -8.950 3.036 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.372 -7.236 1.396 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.696 -6.094 0.632 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.100 -6.124 -0.833 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.047 -4.748 1.251 1.00 0.00 C ATOM 0 H LEU A 118 -1.234 -7.656 2.925 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.834 -6.291 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.933 -8.179 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.426 -7.262 1.119 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.617 -6.230 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.611 -5.306 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.798 -7.074 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.181 -6.014 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.556 -3.951 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.127 -4.602 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.710 -4.725 2.287 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.291 -8.873 4.644 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.782 -10.065 5.323 1.00 0.00 C ATOM 1947 C GLN A 119 -3.760 -11.264 4.381 1.00 0.00 C ATOM 1948 O GLN A 119 -4.747 -11.989 4.255 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.201 -9.833 5.846 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.369 -8.514 6.583 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.613 -8.486 7.450 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -6.585 -8.897 8.610 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.714 -7.999 6.889 1.00 0.00 N ATOM 0 H GLN A 119 -2.477 -8.442 5.082 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.126 -10.274 6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.898 -9.863 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.471 -10.650 6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.492 -8.335 7.206 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.417 -7.701 5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.692 -7.669 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.582 -7.955 7.423 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.625 -11.463 3.718 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.468 -12.569 2.782 1.00 0.00 C ATOM 1964 C LEU A 120 -1.882 -13.794 3.477 1.00 0.00 C ATOM 1965 O LEU A 120 -1.068 -14.517 2.902 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.572 -12.151 1.613 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.736 -10.700 1.155 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.489 -10.223 0.426 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -2.963 -10.558 0.268 1.00 0.00 C ATOM 0 H LEU A 120 -1.800 -10.871 3.812 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.454 -12.831 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.532 -12.310 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.775 -12.808 0.767 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.875 -10.075 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.626 -9.189 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.370 -10.287 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.316 -10.851 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.065 -9.520 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.854 -11.196 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.851 -10.856 0.825 1.00 0.00 H new