USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 956 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 Single : A 11 LYS NZ :NH3+ -119:sc=-0.00644 (180deg=-1.14) USER MOD Single : A 14 ASN : amide:sc= -1.94! C(o=-1.9!,f=-9.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 67:sc= -3.18 USER MOD Single : A 25 CYS SG : rot 74:sc= 0.0752 USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.109) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.781 K(o=-0.78,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -0.0622 K(o=-0.062,f=-1.6!) USER MOD Single : A 42 THR OG1 : rot 86:sc= 0.582 USER MOD Single : A 45 GLN : amide:sc= -8.07! C(o=-8.1!,f=-3.7!) USER MOD Single : A 46 ASN : amide:sc= -12! C(o=-12!,f=-3.6!) USER MOD Single : A 48 CYS SG : rot -153:sc= -5.78! USER MOD Single : A 53 SER OG : rot 84:sc= 0.964 USER MOD Single : A 60 THR OG1 : rot 100:sc= -0.114 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.67! X(o=-1.7!,f=-2.1) USER MOD Single : A 65 SER OG : rot 13:sc= 0.174! USER MOD Single : A 67 GLN : amide:sc= -3.07! C(o=-3.1!,f=-4.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= -3.58! (180deg=-3.83!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl -102:sc= -0.747 (180deg=-2.09) USER MOD Single : A 104 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.17) USER MOD Single : A 107 CYS SG : rot -130:sc= -10.4! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-2.9!) USER MOD Single : A 122 MET CE :methyl -171:sc= -0.512 (180deg=-0.795) USER MOD Single : A 124 CYS SG : rot 23:sc= 0.721 USER MOD Single : A 133 GLN : amide:sc= -0.0534 K(o=-0.053,f=-0.91) USER MOD Single : A 134 GLN : amide:sc= -4.8! C(o=-4.8!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 11 -3.803 -23.936 -2.668 1.00 0.00 N ATOM 112 CA LYS A 11 -2.630 -23.166 -3.143 1.00 0.00 C ATOM 113 C LYS A 11 -2.124 -22.243 -2.028 1.00 0.00 C ATOM 114 O LYS A 11 -0.940 -22.070 -1.845 1.00 0.00 O ATOM 115 CB LYS A 11 -3.010 -22.379 -4.409 1.00 0.00 C ATOM 116 CG LYS A 11 -3.925 -21.181 -4.068 1.00 0.00 C ATOM 117 CD LYS A 11 -3.119 -19.878 -3.929 1.00 0.00 C ATOM 118 CE LYS A 11 -4.086 -18.719 -3.667 1.00 0.00 C ATOM 119 NZ LYS A 11 -4.840 -18.412 -4.916 1.00 0.00 N ATOM 0 HA LYS A 11 -1.818 -23.846 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.107 -22.021 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.518 -23.039 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.678 -21.063 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.458 -21.382 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.403 -19.963 -3.111 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.545 -19.692 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.778 -18.982 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.535 -17.839 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.641 -17.435 -5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.546 -19.067 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.860 -18.520 -4.741 1.00 0.00 H new ATOM 133 N PHE A 12 -3.005 -21.651 -1.267 1.00 0.00 N ATOM 134 CA PHE A 12 -2.536 -20.745 -0.175 1.00 0.00 C ATOM 135 C PHE A 12 -1.645 -21.504 0.816 1.00 0.00 C ATOM 136 O PHE A 12 -0.625 -21.003 1.246 1.00 0.00 O ATOM 137 CB PHE A 12 -3.759 -20.151 0.562 1.00 0.00 C ATOM 138 CG PHE A 12 -3.345 -19.502 1.875 1.00 0.00 C ATOM 139 CD1 PHE A 12 -3.158 -20.314 3.000 1.00 0.00 C ATOM 140 CD2 PHE A 12 -3.172 -18.107 1.986 1.00 0.00 C ATOM 141 CE1 PHE A 12 -2.792 -19.750 4.227 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.809 -17.547 3.219 1.00 0.00 C ATOM 143 CZ PHE A 12 -2.618 -18.368 4.336 1.00 0.00 C ATOM 0 H PHE A 12 -4.017 -21.752 -1.351 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.948 -19.940 -0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.248 -19.413 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.488 -20.938 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.297 -21.382 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.319 -17.472 1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.644 -20.383 5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.676 -16.479 3.307 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.336 -17.933 5.283 1.00 0.00 H new ATOM 153 N GLU A 13 -2.011 -22.694 1.207 1.00 0.00 N ATOM 154 CA GLU A 13 -1.158 -23.420 2.191 1.00 0.00 C ATOM 155 C GLU A 13 0.133 -23.942 1.570 1.00 0.00 C ATOM 156 O GLU A 13 1.044 -24.303 2.288 1.00 0.00 O ATOM 157 CB GLU A 13 -1.934 -24.584 2.808 1.00 0.00 C ATOM 158 CG GLU A 13 -2.291 -25.621 1.744 1.00 0.00 C ATOM 159 CD GLU A 13 -3.067 -26.761 2.403 1.00 0.00 C ATOM 160 OE1 GLU A 13 -2.736 -27.109 3.526 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.985 -27.265 1.777 1.00 0.00 O ATOM 0 H GLU A 13 -2.847 -23.188 0.895 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.887 -22.701 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.337 -25.051 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.844 -24.212 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.890 -25.163 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.386 -26.004 1.273 1.00 0.00 H new ATOM 168 N ASN A 14 0.229 -24.043 0.263 1.00 0.00 N ATOM 169 CA ASN A 14 1.483 -24.611 -0.332 1.00 0.00 C ATOM 170 C ASN A 14 1.995 -23.828 -1.554 1.00 0.00 C ATOM 171 O ASN A 14 2.869 -24.304 -2.250 1.00 0.00 O ATOM 172 CB ASN A 14 1.183 -26.058 -0.721 1.00 0.00 C ATOM 173 CG ASN A 14 0.111 -26.093 -1.811 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.112 -25.114 -2.490 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.579 -27.188 -1.999 1.00 0.00 N ATOM 0 H ASN A 14 -0.490 -23.763 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 14 2.279 -24.543 0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.092 -26.544 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.844 -26.616 0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.304 -27.217 -2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.392 -28.013 -1.428 1.00 0.00 H new ATOM 182 N GLU A 15 1.509 -22.642 -1.843 1.00 0.00 N ATOM 183 CA GLU A 15 2.061 -21.916 -3.042 1.00 0.00 C ATOM 184 C GLU A 15 3.353 -21.173 -2.631 1.00 0.00 C ATOM 185 O GLU A 15 3.365 -20.426 -1.674 1.00 0.00 O ATOM 186 CB GLU A 15 1.035 -20.919 -3.595 1.00 0.00 C ATOM 187 CG GLU A 15 1.520 -20.400 -4.945 1.00 0.00 C ATOM 188 CD GLU A 15 0.647 -19.223 -5.374 1.00 0.00 C ATOM 189 OE1 GLU A 15 -0.164 -18.791 -4.571 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.807 -18.767 -6.494 1.00 0.00 O ATOM 0 H GLU A 15 0.779 -22.156 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 15 2.284 -22.641 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.064 -21.401 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.903 -20.091 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.562 -20.089 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.474 -21.193 -5.691 1.00 0.00 H new ATOM 197 N GLU A 16 4.442 -21.391 -3.335 1.00 0.00 N ATOM 198 CA GLU A 16 5.746 -20.721 -2.985 1.00 0.00 C ATOM 199 C GLU A 16 5.791 -19.241 -3.429 1.00 0.00 C ATOM 200 O GLU A 16 6.649 -18.489 -3.018 1.00 0.00 O ATOM 201 CB GLU A 16 6.896 -21.482 -3.651 1.00 0.00 C ATOM 202 CG GLU A 16 6.958 -22.915 -3.101 1.00 0.00 C ATOM 203 CD GLU A 16 8.219 -23.617 -3.619 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.983 -22.978 -4.322 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.404 -24.781 -3.295 1.00 0.00 O ATOM 0 H GLU A 16 4.486 -22.010 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 16 5.843 -20.739 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.753 -21.503 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.840 -20.970 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.963 -22.896 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.071 -23.470 -3.406 1.00 0.00 H new ATOM 212 N PHE A 17 4.897 -18.832 -4.276 1.00 0.00 N ATOM 213 CA PHE A 17 4.900 -17.417 -4.775 1.00 0.00 C ATOM 214 C PHE A 17 5.012 -16.418 -3.611 1.00 0.00 C ATOM 215 O PHE A 17 5.264 -15.245 -3.820 1.00 0.00 O ATOM 216 CB PHE A 17 3.574 -17.205 -5.539 1.00 0.00 C ATOM 217 CG PHE A 17 3.146 -15.747 -5.546 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.984 -14.774 -6.095 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.907 -15.380 -4.998 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.588 -13.430 -6.095 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.509 -14.040 -4.998 1.00 0.00 C ATOM 222 CZ PHE A 17 2.347 -13.064 -5.541 1.00 0.00 C ATOM 0 H PHE A 17 4.152 -19.417 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 17 5.759 -17.246 -5.424 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.687 -17.554 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.791 -17.810 -5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.936 -15.057 -6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.260 -16.134 -4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.234 -12.676 -6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.554 -13.760 -4.578 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.043 -12.028 -5.536 1.00 0.00 H new ATOM 232 N PHE A 18 4.816 -16.848 -2.397 1.00 0.00 N ATOM 233 CA PHE A 18 4.902 -15.884 -1.263 1.00 0.00 C ATOM 234 C PHE A 18 6.369 -15.541 -0.964 1.00 0.00 C ATOM 235 O PHE A 18 6.769 -14.393 -1.039 1.00 0.00 O ATOM 236 CB PHE A 18 4.224 -16.493 -0.028 1.00 0.00 C ATOM 237 CG PHE A 18 2.869 -17.041 -0.433 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.922 -16.196 -1.036 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.574 -18.394 -0.239 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.688 -16.709 -1.441 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.339 -18.905 -0.651 1.00 0.00 C ATOM 242 CZ PHE A 18 0.397 -18.060 -1.255 1.00 0.00 C ATOM 0 H PHE A 18 4.603 -17.812 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 18 4.389 -14.961 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.843 -17.288 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.108 -15.738 0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.148 -15.151 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.299 -19.044 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.042 -16.058 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.111 -19.950 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.555 -18.456 -1.577 1.00 0.00 H new ATOM 252 N ARG A 19 7.185 -16.507 -0.632 1.00 0.00 N ATOM 253 CA ARG A 19 8.617 -16.179 -0.356 1.00 0.00 C ATOM 254 C ARG A 19 9.257 -15.597 -1.619 1.00 0.00 C ATOM 255 O ARG A 19 10.167 -14.796 -1.546 1.00 0.00 O ATOM 256 CB ARG A 19 9.395 -17.426 0.132 1.00 0.00 C ATOM 257 CG ARG A 19 8.776 -18.706 -0.457 1.00 0.00 C ATOM 258 CD ARG A 19 7.686 -19.261 0.492 1.00 0.00 C ATOM 259 NE ARG A 19 8.276 -20.286 1.422 1.00 0.00 N ATOM 260 CZ ARG A 19 8.888 -21.350 0.971 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.881 -21.616 -0.303 1.00 0.00 N ATOM 262 NH2 ARG A 19 9.489 -22.162 1.797 1.00 0.00 N ATOM 0 H ARG A 19 6.930 -17.490 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 19 8.660 -15.438 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.441 -17.350 -0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.375 -17.472 1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.343 -18.492 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.552 -19.456 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.247 -18.447 1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.881 -19.709 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 19 8.197 -20.148 2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.398 -20.994 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.359 -22.446 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.482 -21.968 2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.965 -22.991 1.441 1.00 0.00 H new ATOM 276 N LYS A 20 8.796 -15.994 -2.778 1.00 0.00 N ATOM 277 CA LYS A 20 9.386 -15.457 -4.039 1.00 0.00 C ATOM 278 C LYS A 20 9.238 -13.938 -4.130 1.00 0.00 C ATOM 279 O LYS A 20 10.108 -13.261 -4.639 1.00 0.00 O ATOM 280 CB LYS A 20 8.704 -16.090 -5.255 1.00 0.00 C ATOM 281 CG LYS A 20 8.877 -17.612 -5.260 1.00 0.00 C ATOM 282 CD LYS A 20 10.350 -17.985 -5.508 1.00 0.00 C ATOM 283 CE LYS A 20 10.426 -19.445 -5.965 1.00 0.00 C ATOM 284 NZ LYS A 20 11.819 -19.782 -6.363 1.00 0.00 N ATOM 0 H LYS A 20 8.038 -16.665 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 20 10.447 -15.706 -4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.642 -15.842 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.124 -15.671 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.546 -18.025 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.249 -18.053 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.781 -17.331 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.932 -17.845 -4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.099 -20.104 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.750 -19.608 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.861 -20.774 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.116 -19.163 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.455 -19.644 -5.552 1.00 0.00 H new ATOM 298 N LEU A 21 8.146 -13.388 -3.673 1.00 0.00 N ATOM 299 CA LEU A 21 7.970 -11.897 -3.775 1.00 0.00 C ATOM 300 C LEU A 21 7.305 -11.335 -2.518 1.00 0.00 C ATOM 301 O LEU A 21 7.526 -10.194 -2.160 1.00 0.00 O ATOM 302 CB LEU A 21 7.115 -11.559 -5.008 1.00 0.00 C ATOM 303 CG LEU A 21 7.933 -11.696 -6.305 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.976 -11.589 -7.490 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.979 -10.570 -6.412 1.00 0.00 C ATOM 0 H LEU A 21 7.373 -13.892 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 21 8.955 -11.442 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.251 -12.222 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.733 -10.542 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 21 8.450 -12.656 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.537 -11.684 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.234 -12.385 -7.431 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.474 -10.622 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.546 -10.686 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.474 -9.604 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.658 -10.622 -5.561 1.00 0.00 H new ATOM 317 N SER A 22 6.497 -12.109 -1.850 1.00 0.00 N ATOM 318 CA SER A 22 5.822 -11.596 -0.622 1.00 0.00 C ATOM 319 C SER A 22 6.795 -11.653 0.568 1.00 0.00 C ATOM 320 O SER A 22 6.669 -12.471 1.458 1.00 0.00 O ATOM 321 CB SER A 22 4.581 -12.447 -0.339 1.00 0.00 C ATOM 322 OG SER A 22 4.962 -13.627 0.354 1.00 0.00 O ATOM 0 H SER A 22 6.274 -13.073 -2.099 1.00 0.00 H new ATOM 0 HA SER A 22 5.518 -10.560 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.865 -11.879 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.084 -12.706 -1.274 1.00 0.00 H new ATOM 0 HG SER A 22 5.294 -13.390 1.245 1.00 0.00 H new ATOM 328 N ARG A 23 7.766 -10.781 0.576 1.00 0.00 N ATOM 329 CA ARG A 23 8.768 -10.757 1.684 1.00 0.00 C ATOM 330 C ARG A 23 9.223 -9.310 1.866 1.00 0.00 C ATOM 331 O ARG A 23 8.755 -8.422 1.178 1.00 0.00 O ATOM 332 CB ARG A 23 9.977 -11.637 1.310 1.00 0.00 C ATOM 333 CG ARG A 23 10.784 -10.981 0.179 1.00 0.00 C ATOM 334 CD ARG A 23 11.827 -11.967 -0.361 1.00 0.00 C ATOM 335 NE ARG A 23 12.797 -11.244 -1.235 1.00 0.00 N ATOM 336 CZ ARG A 23 13.945 -11.796 -1.546 1.00 0.00 C ATOM 337 NH1 ARG A 23 14.292 -12.941 -1.020 1.00 0.00 N ATOM 338 NH2 ARG A 23 14.757 -11.191 -2.376 1.00 0.00 N ATOM 0 H ARG A 23 7.911 -10.075 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 23 8.330 -11.141 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.613 -11.783 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.635 -12.623 0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.115 -10.671 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.278 -10.082 0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.353 -12.444 0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.335 -12.759 -0.925 1.00 0.00 H new ATOM 0 HE ARG A 23 12.566 -10.317 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.668 -13.410 -0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.186 -13.365 -1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.496 -10.291 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.650 -11.619 -2.619 1.00 0.00 H new ATOM 352 N GLU A 24 10.127 -9.055 2.773 1.00 0.00 N ATOM 353 CA GLU A 24 10.604 -7.657 2.939 1.00 0.00 C ATOM 354 C GLU A 24 11.262 -7.212 1.623 1.00 0.00 C ATOM 355 O GLU A 24 12.276 -7.747 1.222 1.00 0.00 O ATOM 356 CB GLU A 24 11.622 -7.578 4.085 1.00 0.00 C ATOM 357 CG GLU A 24 12.536 -8.817 4.088 1.00 0.00 C ATOM 358 CD GLU A 24 11.870 -9.985 4.826 1.00 0.00 C ATOM 359 OE1 GLU A 24 10.755 -9.816 5.298 1.00 0.00 O ATOM 360 OE2 GLU A 24 12.493 -11.033 4.911 1.00 0.00 O ATOM 0 H GLU A 24 10.549 -9.744 3.396 1.00 0.00 H new ATOM 0 HA GLU A 24 9.765 -7.004 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.225 -6.676 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.099 -7.504 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.761 -9.110 3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.485 -8.573 4.566 1.00 0.00 H new ATOM 367 N CYS A 25 10.693 -6.242 0.941 1.00 0.00 N ATOM 368 CA CYS A 25 11.298 -5.773 -0.358 1.00 0.00 C ATOM 369 C CYS A 25 11.388 -4.247 -0.397 1.00 0.00 C ATOM 370 O CYS A 25 10.598 -3.546 0.202 1.00 0.00 O ATOM 371 CB CYS A 25 10.434 -6.267 -1.520 1.00 0.00 C ATOM 372 SG CYS A 25 10.340 -8.073 -1.453 1.00 0.00 S ATOM 0 H CYS A 25 9.842 -5.756 1.223 1.00 0.00 H new ATOM 0 HA CYS A 25 12.307 -6.178 -0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.435 -5.835 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.861 -5.947 -2.470 1.00 0.00 H new ATOM 0 HG CYS A 25 9.552 -8.431 -0.483 1.00 0.00 H new ATOM 378 N GLU A 26 12.344 -3.729 -1.117 1.00 0.00 N ATOM 379 CA GLU A 26 12.485 -2.248 -1.217 1.00 0.00 C ATOM 380 C GLU A 26 11.242 -1.675 -1.907 1.00 0.00 C ATOM 381 O GLU A 26 10.673 -2.300 -2.780 1.00 0.00 O ATOM 382 CB GLU A 26 13.728 -1.909 -2.050 1.00 0.00 C ATOM 383 CG GLU A 26 14.982 -2.457 -1.365 1.00 0.00 C ATOM 384 CD GLU A 26 15.277 -1.646 -0.100 1.00 0.00 C ATOM 385 OE1 GLU A 26 14.617 -1.879 0.895 1.00 0.00 O ATOM 386 OE2 GLU A 26 16.161 -0.804 -0.150 1.00 0.00 O ATOM 0 H GLU A 26 13.034 -4.267 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 26 12.588 -1.819 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.634 -2.335 -3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.812 -0.829 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.839 -3.507 -1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.831 -2.407 -2.046 1.00 0.00 H new ATOM 393 N ILE A 27 10.814 -0.488 -1.540 1.00 0.00 N ATOM 394 CA ILE A 27 9.609 0.110 -2.206 1.00 0.00 C ATOM 395 C ILE A 27 9.873 1.578 -2.557 1.00 0.00 C ATOM 396 O ILE A 27 10.595 2.288 -1.867 1.00 0.00 O ATOM 397 CB ILE A 27 8.387 -0.002 -1.285 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.552 0.905 -0.058 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.210 -1.447 -0.826 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.287 0.836 0.800 1.00 0.00 C ATOM 0 H ILE A 27 11.242 0.088 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 27 9.407 -0.439 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 27 7.506 0.314 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.418 0.592 0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.735 1.932 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.340 -1.517 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.064 -2.089 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.099 -1.768 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.403 1.480 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.431 1.170 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.124 -0.191 1.127 1.00 0.00 H new ATOM 412 N LYS A 28 9.269 2.048 -3.624 1.00 0.00 N ATOM 413 CA LYS A 28 9.461 3.464 -4.041 1.00 0.00 C ATOM 414 C LYS A 28 8.117 4.012 -4.522 1.00 0.00 C ATOM 415 O LYS A 28 7.473 3.430 -5.381 1.00 0.00 O ATOM 416 CB LYS A 28 10.472 3.498 -5.192 1.00 0.00 C ATOM 417 CG LYS A 28 10.898 4.936 -5.485 1.00 0.00 C ATOM 418 CD LYS A 28 11.901 4.953 -6.650 1.00 0.00 C ATOM 419 CE LYS A 28 13.207 4.233 -6.262 1.00 0.00 C ATOM 420 NZ LYS A 28 14.315 4.690 -7.160 1.00 0.00 N ATOM 0 H LYS A 28 8.649 1.504 -4.224 1.00 0.00 H new ATOM 0 HA LYS A 28 9.829 4.067 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.345 2.899 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.032 3.053 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.026 5.540 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.349 5.380 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.460 4.470 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.119 5.983 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.456 4.445 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.078 3.154 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.145 4.077 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.002 4.639 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.568 5.671 -6.927 1.00 0.00 H new ATOM 434 N TYR A 29 7.680 5.117 -3.977 1.00 0.00 N ATOM 435 CA TYR A 29 6.369 5.686 -4.407 1.00 0.00 C ATOM 436 C TYR A 29 6.493 6.282 -5.814 1.00 0.00 C ATOM 437 O TYR A 29 7.553 6.708 -6.235 1.00 0.00 O ATOM 438 CB TYR A 29 5.914 6.757 -3.403 1.00 0.00 C ATOM 439 CG TYR A 29 4.713 7.508 -3.945 1.00 0.00 C ATOM 440 CD1 TYR A 29 3.525 6.819 -4.228 1.00 0.00 C ATOM 441 CD2 TYR A 29 4.786 8.894 -4.172 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.419 7.509 -4.740 1.00 0.00 C ATOM 443 CE2 TYR A 29 3.674 9.579 -4.683 1.00 0.00 C ATOM 444 CZ TYR A 29 2.495 8.884 -4.968 1.00 0.00 C ATOM 445 OH TYR A 29 1.404 9.554 -5.478 1.00 0.00 O ATOM 0 H TYR A 29 8.171 5.647 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 29 5.622 4.893 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.660 6.289 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.730 7.453 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.463 5.755 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.697 9.430 -3.953 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.505 6.976 -4.959 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.729 10.644 -4.856 1.00 0.00 H new ATOM 0 HH TYR A 29 0.581 9.107 -5.190 1.00 0.00 H new ATOM 455 N THR A 30 5.414 6.302 -6.547 1.00 0.00 N ATOM 456 CA THR A 30 5.461 6.852 -7.930 1.00 0.00 C ATOM 457 C THR A 30 5.504 8.382 -7.870 1.00 0.00 C ATOM 458 O THR A 30 4.791 9.005 -7.107 1.00 0.00 O ATOM 459 CB THR A 30 4.220 6.387 -8.713 1.00 0.00 C ATOM 460 OG1 THR A 30 4.487 6.480 -10.105 1.00 0.00 O ATOM 461 CG2 THR A 30 3.010 7.266 -8.366 1.00 0.00 C ATOM 0 H THR A 30 4.501 5.961 -6.247 1.00 0.00 H new ATOM 0 HA THR A 30 6.355 6.490 -8.437 1.00 0.00 H new ATOM 0 HB THR A 30 3.994 5.355 -8.444 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.701 6.184 -10.609 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.140 6.925 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.803 7.195 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.226 8.302 -8.626 1.00 0.00 H new ATOM 469 N GLY A 31 6.333 8.987 -8.675 1.00 0.00 N ATOM 470 CA GLY A 31 6.420 10.471 -8.671 1.00 0.00 C ATOM 471 C GLY A 31 7.447 10.938 -9.695 1.00 0.00 C ATOM 472 O GLY A 31 8.192 10.154 -10.252 1.00 0.00 O ATOM 0 H GLY A 31 6.953 8.517 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.445 10.901 -8.900 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.698 10.824 -7.678 1.00 0.00 H new ATOM 476 N PHE A 32 7.501 12.221 -9.938 1.00 0.00 N ATOM 477 CA PHE A 32 8.491 12.755 -10.913 1.00 0.00 C ATOM 478 C PHE A 32 9.785 13.101 -10.167 1.00 0.00 C ATOM 479 O PHE A 32 9.956 14.205 -9.686 1.00 0.00 O ATOM 480 CB PHE A 32 7.916 14.013 -11.564 1.00 0.00 C ATOM 481 CG PHE A 32 6.753 13.633 -12.451 1.00 0.00 C ATOM 482 CD1 PHE A 32 6.986 12.967 -13.660 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.441 13.944 -12.065 1.00 0.00 C ATOM 484 CE1 PHE A 32 5.910 12.608 -14.480 1.00 0.00 C ATOM 485 CE2 PHE A 32 4.367 13.582 -12.885 1.00 0.00 C ATOM 486 CZ PHE A 32 4.602 12.918 -14.094 1.00 0.00 C ATOM 0 H PHE A 32 6.901 12.921 -9.502 1.00 0.00 H new ATOM 0 HA PHE A 32 8.703 12.013 -11.683 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.589 14.715 -10.797 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.685 14.516 -12.150 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.996 12.730 -13.960 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.260 14.463 -11.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.090 12.091 -15.411 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.356 13.815 -12.585 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.773 12.645 -14.730 1.00 0.00 H new ATOM 496 N ARG A 33 10.692 12.169 -10.061 1.00 0.00 N ATOM 497 CA ARG A 33 11.975 12.443 -9.348 1.00 0.00 C ATOM 498 C ARG A 33 12.714 13.599 -10.036 1.00 0.00 C ATOM 499 O ARG A 33 13.665 14.132 -9.504 1.00 0.00 O ATOM 500 CB ARG A 33 12.853 11.185 -9.349 1.00 0.00 C ATOM 501 CG ARG A 33 12.112 10.043 -8.643 1.00 0.00 C ATOM 502 CD ARG A 33 13.024 8.825 -8.511 1.00 0.00 C ATOM 503 NE ARG A 33 13.435 8.356 -9.859 1.00 0.00 N ATOM 504 CZ ARG A 33 14.447 7.551 -9.969 1.00 0.00 C ATOM 505 NH1 ARG A 33 15.091 7.185 -8.893 1.00 0.00 N ATOM 506 NH2 ARG A 33 14.800 7.110 -11.144 1.00 0.00 N ATOM 0 H ARG A 33 10.601 11.226 -10.438 1.00 0.00 H new ATOM 0 HA ARG A 33 11.758 12.722 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.094 10.898 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.797 11.387 -8.843 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.783 10.369 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.217 9.777 -9.206 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.904 9.080 -7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.505 8.027 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 33 12.928 8.663 -10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.797 7.531 -7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.888 6.553 -8.966 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.281 7.398 -11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.595 6.477 -11.234 1.00 0.00 H new ATOM 520 N ASP A 34 12.298 13.983 -11.223 1.00 0.00 N ATOM 521 CA ASP A 34 13.002 15.091 -11.940 1.00 0.00 C ATOM 522 C ASP A 34 12.584 16.434 -11.336 1.00 0.00 C ATOM 523 O ASP A 34 13.165 17.462 -11.624 1.00 0.00 O ATOM 524 CB ASP A 34 12.617 15.067 -13.429 1.00 0.00 C ATOM 525 CG ASP A 34 13.217 13.830 -14.111 1.00 0.00 C ATOM 526 OD1 ASP A 34 14.039 13.177 -13.496 1.00 0.00 O ATOM 527 OD2 ASP A 34 12.836 13.557 -15.241 1.00 0.00 O ATOM 0 H ASP A 34 11.506 13.578 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 34 14.079 14.960 -11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.532 15.058 -13.532 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.976 15.972 -13.920 1.00 0.00 H new ATOM 532 N ARG A 35 11.592 16.435 -10.482 1.00 0.00 N ATOM 533 CA ARG A 35 11.156 17.713 -9.848 1.00 0.00 C ATOM 534 C ARG A 35 12.044 17.956 -8.615 1.00 0.00 C ATOM 535 O ARG A 35 12.243 17.053 -7.827 1.00 0.00 O ATOM 536 CB ARG A 35 9.671 17.612 -9.427 1.00 0.00 C ATOM 537 CG ARG A 35 8.749 18.176 -10.534 1.00 0.00 C ATOM 538 CD ARG A 35 8.790 17.282 -11.796 1.00 0.00 C ATOM 539 NE ARG A 35 8.972 18.121 -13.024 1.00 0.00 N ATOM 540 CZ ARG A 35 8.250 19.192 -13.244 1.00 0.00 C ATOM 541 NH1 ARG A 35 7.282 19.526 -12.431 1.00 0.00 N ATOM 542 NH2 ARG A 35 8.487 19.918 -14.302 1.00 0.00 N ATOM 0 H ARG A 35 11.067 15.608 -10.198 1.00 0.00 H new ATOM 0 HA ARG A 35 11.254 18.541 -10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.414 16.572 -9.228 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.513 18.162 -8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.726 18.241 -10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.060 19.189 -10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.606 16.564 -11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.866 16.708 -11.873 1.00 0.00 H new ATOM 0 HE ARG A 35 9.678 17.851 -13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.081 18.950 -11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.728 20.362 -12.614 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.229 19.650 -14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.931 20.754 -14.482 1.00 0.00 H new ATOM 556 N PRO A 36 12.583 19.145 -8.443 1.00 0.00 N ATOM 557 CA PRO A 36 13.460 19.452 -7.288 1.00 0.00 C ATOM 558 C PRO A 36 12.993 18.757 -6.002 1.00 0.00 C ATOM 559 O PRO A 36 11.872 18.293 -5.903 1.00 0.00 O ATOM 560 CB PRO A 36 13.375 20.978 -7.170 1.00 0.00 C ATOM 561 CG PRO A 36 13.108 21.469 -8.564 1.00 0.00 C ATOM 562 CD PRO A 36 12.420 20.319 -9.317 1.00 0.00 C ATOM 0 HA PRO A 36 14.479 19.093 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.578 21.276 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.303 21.394 -6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.472 22.354 -8.547 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.037 21.753 -9.058 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.367 20.537 -9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.880 20.153 -10.291 1.00 0.00 H new ATOM 570 N HIS A 37 13.857 18.675 -5.031 1.00 0.00 N ATOM 571 CA HIS A 37 13.514 18.004 -3.742 1.00 0.00 C ATOM 572 C HIS A 37 12.107 18.390 -3.307 1.00 0.00 C ATOM 573 O HIS A 37 11.495 17.722 -2.509 1.00 0.00 O ATOM 574 CB HIS A 37 14.533 18.437 -2.674 1.00 0.00 C ATOM 575 CG HIS A 37 14.627 17.401 -1.590 1.00 0.00 C ATOM 576 ND1 HIS A 37 13.931 17.509 -0.399 1.00 0.00 N ATOM 577 CD2 HIS A 37 15.360 16.245 -1.494 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.262 16.450 0.361 1.00 0.00 C ATOM 579 NE2 HIS A 37 15.130 15.646 -0.260 1.00 0.00 N ATOM 0 H HIS A 37 14.804 19.051 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 37 13.549 16.922 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.511 18.582 -3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.236 19.395 -2.246 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.016 15.859 -2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.873 16.271 1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.536 14.780 0.094 1.00 0.00 H new ATOM 587 N GLU A 38 11.589 19.457 -3.829 1.00 0.00 N ATOM 588 CA GLU A 38 10.218 19.873 -3.442 1.00 0.00 C ATOM 589 C GLU A 38 9.230 18.752 -3.765 1.00 0.00 C ATOM 590 O GLU A 38 8.093 18.784 -3.346 1.00 0.00 O ATOM 591 CB GLU A 38 9.846 21.151 -4.206 1.00 0.00 C ATOM 592 CG GLU A 38 9.651 20.837 -5.689 1.00 0.00 C ATOM 593 CD GLU A 38 9.526 22.155 -6.463 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.575 22.873 -6.214 1.00 0.00 O ATOM 595 OE2 GLU A 38 10.389 22.426 -7.287 1.00 0.00 O ATOM 0 H GLU A 38 12.054 20.061 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 38 10.179 20.073 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.932 21.578 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.630 21.898 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.494 20.257 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.757 20.230 -5.831 1.00 0.00 H new ATOM 602 N GLU A 39 9.638 17.764 -4.512 1.00 0.00 N ATOM 603 CA GLU A 39 8.691 16.678 -4.852 1.00 0.00 C ATOM 604 C GLU A 39 8.382 15.824 -3.621 1.00 0.00 C ATOM 605 O GLU A 39 7.354 15.183 -3.545 1.00 0.00 O ATOM 606 CB GLU A 39 9.322 15.815 -5.935 1.00 0.00 C ATOM 607 CG GLU A 39 10.530 15.057 -5.370 1.00 0.00 C ATOM 608 CD GLU A 39 11.377 14.534 -6.528 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.038 14.829 -7.662 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.353 13.852 -6.262 1.00 0.00 O ATOM 0 H GLU A 39 10.578 17.666 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 39 7.754 17.109 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.588 15.108 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.634 16.439 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.124 15.715 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.196 14.229 -4.745 1.00 0.00 H new ATOM 617 N ARG A 40 9.250 15.802 -2.657 1.00 0.00 N ATOM 618 CA ARG A 40 8.973 14.975 -1.447 1.00 0.00 C ATOM 619 C ARG A 40 7.736 15.498 -0.700 1.00 0.00 C ATOM 620 O ARG A 40 6.823 14.750 -0.406 1.00 0.00 O ATOM 621 CB ARG A 40 10.189 15.033 -0.518 1.00 0.00 C ATOM 622 CG ARG A 40 10.571 16.510 -0.216 1.00 0.00 C ATOM 623 CD ARG A 40 10.246 16.876 1.236 1.00 0.00 C ATOM 624 NE ARG A 40 11.315 16.352 2.122 1.00 0.00 N ATOM 625 CZ ARG A 40 11.461 16.832 3.325 1.00 0.00 C ATOM 626 NH1 ARG A 40 10.683 17.794 3.752 1.00 0.00 N ATOM 627 NH2 ARG A 40 12.384 16.348 4.102 1.00 0.00 N ATOM 0 H ARG A 40 10.132 16.313 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 40 8.780 13.948 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.969 14.510 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.032 14.520 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.634 16.660 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.032 17.174 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.167 17.958 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.282 16.456 1.522 1.00 0.00 H new ATOM 0 HE ARG A 40 11.937 15.615 1.789 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.958 18.172 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.802 18.166 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.989 15.597 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.504 16.719 5.045 1.00 0.00 H new ATOM 641 N GLN A 41 7.692 16.771 -0.396 1.00 0.00 N ATOM 642 CA GLN A 41 6.511 17.324 0.334 1.00 0.00 C ATOM 643 C GLN A 41 5.286 17.417 -0.578 1.00 0.00 C ATOM 644 O GLN A 41 4.207 17.020 -0.205 1.00 0.00 O ATOM 645 CB GLN A 41 6.851 18.714 0.874 1.00 0.00 C ATOM 646 CG GLN A 41 7.242 19.647 -0.277 1.00 0.00 C ATOM 647 CD GLN A 41 7.943 20.890 0.284 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.658 20.811 1.267 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.780 22.039 -0.312 1.00 0.00 N ATOM 0 H GLN A 41 8.420 17.449 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 41 6.273 16.650 1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.994 19.124 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.670 18.644 1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.902 19.127 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.355 19.940 -0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.181 22.106 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.251 22.870 0.045 1.00 0.00 H new ATOM 658 N THR A 42 5.432 17.942 -1.764 1.00 0.00 N ATOM 659 CA THR A 42 4.244 18.072 -2.660 1.00 0.00 C ATOM 660 C THR A 42 3.647 16.690 -2.947 1.00 0.00 C ATOM 661 O THR A 42 2.445 16.515 -2.997 1.00 0.00 O ATOM 662 CB THR A 42 4.682 18.709 -3.989 1.00 0.00 C ATOM 663 OG1 THR A 42 5.405 19.910 -3.734 1.00 0.00 O ATOM 664 CG2 THR A 42 3.446 19.017 -4.846 1.00 0.00 C ATOM 0 H THR A 42 6.312 18.284 -2.150 1.00 0.00 H new ATOM 0 HA THR A 42 3.495 18.695 -2.170 1.00 0.00 H new ATOM 0 HB THR A 42 5.326 18.013 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.349 19.697 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.759 19.468 -5.787 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.905 18.093 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.795 19.709 -4.311 1.00 0.00 H new ATOM 672 N ARG A 43 4.468 15.707 -3.136 1.00 0.00 N ATOM 673 CA ARG A 43 3.933 14.348 -3.409 1.00 0.00 C ATOM 674 C ARG A 43 3.058 13.868 -2.246 1.00 0.00 C ATOM 675 O ARG A 43 2.044 13.243 -2.454 1.00 0.00 O ATOM 676 CB ARG A 43 5.090 13.366 -3.655 1.00 0.00 C ATOM 677 CG ARG A 43 5.777 13.673 -5.004 1.00 0.00 C ATOM 678 CD ARG A 43 5.043 12.952 -6.147 1.00 0.00 C ATOM 679 NE ARG A 43 5.516 13.476 -7.467 1.00 0.00 N ATOM 680 CZ ARG A 43 5.344 14.722 -7.808 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.633 15.521 -7.058 1.00 0.00 N ATOM 682 NH2 ARG A 43 5.843 15.157 -8.928 1.00 0.00 N ATOM 0 H ARG A 43 5.485 15.781 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 43 3.313 14.391 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.816 13.438 -2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.714 12.343 -3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.779 14.748 -5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.819 13.353 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.223 11.879 -6.086 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.967 13.101 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 43 5.984 12.843 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.208 15.171 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.503 16.495 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.365 14.524 -9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.712 16.131 -9.201 1.00 0.00 H new ATOM 696 N PHE A 44 3.436 14.120 -1.023 1.00 0.00 N ATOM 697 CA PHE A 44 2.588 13.619 0.089 1.00 0.00 C ATOM 698 C PHE A 44 1.206 14.283 0.095 1.00 0.00 C ATOM 699 O PHE A 44 0.202 13.608 0.182 1.00 0.00 O ATOM 700 CB PHE A 44 3.274 13.859 1.440 1.00 0.00 C ATOM 701 CG PHE A 44 4.438 12.904 1.598 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.218 11.521 1.591 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.737 13.397 1.754 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.294 10.642 1.731 1.00 0.00 C ATOM 705 CE2 PHE A 44 6.812 12.512 1.895 1.00 0.00 C ATOM 706 CZ PHE A 44 6.591 11.138 1.881 1.00 0.00 C ATOM 0 H PHE A 44 4.272 14.637 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 44 2.453 12.549 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.625 14.889 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.561 13.716 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.216 11.134 1.477 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.911 14.463 1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.123 9.576 1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.814 12.896 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.422 10.456 1.986 1.00 0.00 H new ATOM 716 N GLN A 45 1.124 15.587 0.023 1.00 0.00 N ATOM 717 CA GLN A 45 -0.229 16.216 0.063 1.00 0.00 C ATOM 718 C GLN A 45 -1.034 15.891 -1.202 1.00 0.00 C ATOM 719 O GLN A 45 -2.131 15.392 -1.113 1.00 0.00 O ATOM 720 CB GLN A 45 -0.125 17.751 0.228 1.00 0.00 C ATOM 721 CG GLN A 45 1.151 18.295 -0.448 1.00 0.00 C ATOM 722 CD GLN A 45 2.250 18.545 0.602 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.781 19.634 0.685 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.602 17.585 1.420 1.00 0.00 N ATOM 0 H GLN A 45 1.913 16.229 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.749 15.800 0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.003 18.227 -0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.117 18.007 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.507 17.584 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.924 19.222 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.158 16.669 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.320 17.753 2.124 1.00 0.00 H new ATOM 733 N ASN A 46 -0.522 16.183 -2.373 1.00 0.00 N ATOM 734 CA ASN A 46 -1.323 15.906 -3.607 1.00 0.00 C ATOM 735 C ASN A 46 -1.654 14.414 -3.703 1.00 0.00 C ATOM 736 O ASN A 46 -2.679 14.027 -4.235 1.00 0.00 O ATOM 737 CB ASN A 46 -0.574 16.382 -4.875 1.00 0.00 C ATOM 738 CG ASN A 46 0.469 15.349 -5.316 1.00 0.00 C ATOM 739 OD1 ASN A 46 0.826 15.282 -6.479 1.00 0.00 O ATOM 740 ND2 ASN A 46 0.985 14.554 -4.430 1.00 0.00 N ATOM 0 H ASN A 46 0.399 16.594 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.256 16.466 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.288 16.551 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.085 17.336 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.691 13.872 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.685 14.612 -3.457 1.00 0.00 H new ATOM 747 N ALA A 47 -0.807 13.567 -3.191 1.00 0.00 N ATOM 748 CA ALA A 47 -1.101 12.113 -3.274 1.00 0.00 C ATOM 749 C ALA A 47 -2.051 11.751 -2.143 1.00 0.00 C ATOM 750 O ALA A 47 -2.949 10.949 -2.298 1.00 0.00 O ATOM 751 CB ALA A 47 0.191 11.310 -3.122 1.00 0.00 C ATOM 0 H ALA A 47 0.065 13.815 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.550 11.882 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.033 10.245 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.884 11.582 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.644 11.530 -2.155 1.00 0.00 H new ATOM 757 N CYS A 48 -1.861 12.341 -1.004 1.00 0.00 N ATOM 758 CA CYS A 48 -2.749 12.042 0.143 1.00 0.00 C ATOM 759 C CYS A 48 -4.217 12.408 -0.172 1.00 0.00 C ATOM 760 O CYS A 48 -5.112 11.664 0.177 1.00 0.00 O ATOM 761 CB CYS A 48 -2.251 12.806 1.360 1.00 0.00 C ATOM 762 SG CYS A 48 -0.808 11.946 2.040 1.00 0.00 S ATOM 0 H CYS A 48 -1.125 13.021 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.723 10.971 0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.986 13.826 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.038 12.874 2.111 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.714 12.195 3.313 1.00 0.00 H new ATOM 768 N ARG A 49 -4.496 13.512 -0.847 1.00 0.00 N ATOM 769 CA ARG A 49 -5.936 13.809 -1.160 1.00 0.00 C ATOM 770 C ARG A 49 -6.437 12.714 -2.090 1.00 0.00 C ATOM 771 O ARG A 49 -7.473 12.124 -1.864 1.00 0.00 O ATOM 772 CB ARG A 49 -6.121 15.202 -1.799 1.00 0.00 C ATOM 773 CG ARG A 49 -4.956 15.540 -2.734 1.00 0.00 C ATOM 774 CD ARG A 49 -5.328 16.712 -3.683 1.00 0.00 C ATOM 775 NE ARG A 49 -4.244 17.751 -3.665 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.912 18.359 -2.564 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.542 18.085 -1.457 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.970 19.261 -2.576 1.00 0.00 N ATOM 0 H ARG A 49 -3.815 14.194 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.512 13.826 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.058 15.228 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.194 15.957 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.078 15.808 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.690 14.662 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.469 16.339 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.274 17.156 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.759 17.984 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.293 17.395 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.284 18.560 -0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.494 19.490 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.710 19.738 -1.713 1.00 0.00 H new ATOM 792 N ASP A 50 -5.667 12.376 -3.093 1.00 0.00 N ATOM 793 CA ASP A 50 -6.055 11.251 -3.988 1.00 0.00 C ATOM 794 C ASP A 50 -5.229 10.063 -3.500 1.00 0.00 C ATOM 795 O ASP A 50 -4.141 9.798 -3.970 1.00 0.00 O ATOM 796 CB ASP A 50 -5.744 11.589 -5.449 1.00 0.00 C ATOM 797 CG ASP A 50 -4.532 12.509 -5.518 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.432 11.996 -5.540 1.00 0.00 O ATOM 799 OD2 ASP A 50 -4.729 13.711 -5.554 1.00 0.00 O ATOM 0 H ASP A 50 -4.786 12.833 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.124 11.040 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.551 10.675 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.605 12.071 -5.912 1.00 0.00 H new ATOM 804 N GLY A 51 -5.736 9.399 -2.503 1.00 0.00 N ATOM 805 CA GLY A 51 -5.011 8.257 -1.867 1.00 0.00 C ATOM 806 C GLY A 51 -4.890 7.070 -2.820 1.00 0.00 C ATOM 807 O GLY A 51 -4.633 5.958 -2.402 1.00 0.00 O ATOM 0 H GLY A 51 -6.646 9.602 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.017 8.582 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.538 7.948 -0.964 1.00 0.00 H new ATOM 811 N ARG A 52 -5.024 7.298 -4.099 1.00 0.00 N ATOM 812 CA ARG A 52 -4.862 6.178 -5.068 1.00 0.00 C ATOM 813 C ARG A 52 -3.383 6.140 -5.423 1.00 0.00 C ATOM 814 O ARG A 52 -2.951 6.564 -6.480 1.00 0.00 O ATOM 815 CB ARG A 52 -5.681 6.467 -6.321 1.00 0.00 C ATOM 816 CG ARG A 52 -7.166 6.595 -5.971 1.00 0.00 C ATOM 817 CD ARG A 52 -7.953 6.886 -7.248 1.00 0.00 C ATOM 818 NE ARG A 52 -7.885 5.700 -8.148 1.00 0.00 N ATOM 819 CZ ARG A 52 -8.679 5.615 -9.175 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.545 6.559 -9.407 1.00 0.00 N ATOM 821 NH2 ARG A 52 -8.614 4.579 -9.963 1.00 0.00 N ATOM 0 H ARG A 52 -5.237 8.206 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.199 5.230 -4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.330 7.387 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.540 5.667 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.525 5.675 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.315 7.395 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.991 7.114 -7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.543 7.762 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.215 4.954 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.601 7.365 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.168 6.493 -10.212 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.941 3.836 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.236 4.511 -10.769 1.00 0.00 H new ATOM 835 N SER A 53 -2.614 5.646 -4.504 1.00 0.00 N ATOM 836 CA SER A 53 -1.147 5.567 -4.684 1.00 0.00 C ATOM 837 C SER A 53 -0.771 4.379 -5.550 1.00 0.00 C ATOM 838 O SER A 53 -1.289 3.293 -5.390 1.00 0.00 O ATOM 839 CB SER A 53 -0.498 5.389 -3.319 1.00 0.00 C ATOM 840 OG SER A 53 0.908 5.304 -3.480 1.00 0.00 O ATOM 0 H SER A 53 -2.951 5.284 -3.612 1.00 0.00 H new ATOM 0 HA SER A 53 -0.805 6.482 -5.168 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.752 6.227 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.876 4.487 -2.838 1.00 0.00 H new ATOM 0 HG SER A 53 1.287 6.207 -3.528 1.00 0.00 H new ATOM 846 N GLU A 54 0.182 4.560 -6.414 1.00 0.00 N ATOM 847 CA GLU A 54 0.684 3.438 -7.244 1.00 0.00 C ATOM 848 C GLU A 54 2.136 3.274 -6.825 1.00 0.00 C ATOM 849 O GLU A 54 2.876 4.233 -6.775 1.00 0.00 O ATOM 850 CB GLU A 54 0.579 3.797 -8.728 1.00 0.00 C ATOM 851 CG GLU A 54 -0.888 4.016 -9.096 1.00 0.00 C ATOM 852 CD GLU A 54 -0.983 4.390 -10.575 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.030 4.317 -11.250 1.00 0.00 O ATOM 854 OE2 GLU A 54 -2.065 4.753 -11.005 1.00 0.00 O ATOM 0 H GLU A 54 0.642 5.454 -6.583 1.00 0.00 H new ATOM 0 HA GLU A 54 0.114 2.520 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.156 4.698 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.003 2.999 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.464 3.112 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.316 4.807 -8.480 1.00 0.00 H new ATOM 861 N ILE A 55 2.549 2.100 -6.472 1.00 0.00 N ATOM 862 CA ILE A 55 3.953 1.917 -6.006 1.00 0.00 C ATOM 863 C ILE A 55 4.444 0.558 -6.458 1.00 0.00 C ATOM 864 O ILE A 55 3.664 -0.311 -6.794 1.00 0.00 O ATOM 865 CB ILE A 55 3.988 2.030 -4.478 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.320 1.487 -3.926 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.821 1.241 -3.885 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.577 2.001 -2.496 1.00 0.00 C ATOM 0 H ILE A 55 1.980 1.254 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 55 4.603 2.683 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 55 3.901 3.080 -4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.300 0.397 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.139 1.791 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.844 1.320 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.881 1.646 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.905 0.194 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.524 1.602 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.620 3.090 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.769 1.674 -1.841 1.00 0.00 H new ATOM 880 N ALA A 56 5.733 0.370 -6.500 1.00 0.00 N ATOM 881 CA ALA A 56 6.267 -0.954 -6.968 1.00 0.00 C ATOM 882 C ALA A 56 7.524 -1.341 -6.205 1.00 0.00 C ATOM 883 O ALA A 56 8.102 -0.558 -5.482 1.00 0.00 O ATOM 884 CB ALA A 56 6.587 -0.888 -8.466 1.00 0.00 C ATOM 0 H ALA A 56 6.437 1.060 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 56 5.502 -1.708 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.974 -1.851 -8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.680 -0.650 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.335 -0.116 -8.645 1.00 0.00 H new ATOM 890 N PHE A 57 7.944 -2.567 -6.383 1.00 0.00 N ATOM 891 CA PHE A 57 9.172 -3.063 -5.692 1.00 0.00 C ATOM 892 C PHE A 57 10.386 -2.778 -6.585 1.00 0.00 C ATOM 893 O PHE A 57 10.401 -3.143 -7.735 1.00 0.00 O ATOM 894 CB PHE A 57 9.067 -4.584 -5.503 1.00 0.00 C ATOM 895 CG PHE A 57 7.923 -4.949 -4.576 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.956 -4.566 -3.232 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.839 -5.693 -5.063 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.906 -4.923 -2.376 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.795 -6.053 -4.206 1.00 0.00 C ATOM 900 CZ PHE A 57 5.827 -5.666 -2.865 1.00 0.00 C ATOM 0 H PHE A 57 7.484 -3.252 -6.983 1.00 0.00 H new ATOM 0 HA PHE A 57 9.276 -2.568 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.920 -5.063 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.003 -4.967 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.791 -3.995 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.811 -5.988 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.930 -4.624 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.963 -6.631 -4.581 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.018 -5.941 -2.205 1.00 0.00 H new ATOM 910 N VAL A 58 11.412 -2.154 -6.073 1.00 0.00 N ATOM 911 CA VAL A 58 12.611 -1.875 -6.934 1.00 0.00 C ATOM 912 C VAL A 58 13.207 -3.201 -7.444 1.00 0.00 C ATOM 913 O VAL A 58 13.638 -3.307 -8.577 1.00 0.00 O ATOM 914 CB VAL A 58 13.677 -1.159 -6.090 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.975 -1.020 -6.893 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.166 0.226 -5.669 1.00 0.00 C ATOM 0 H VAL A 58 11.478 -1.827 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 58 12.310 -1.255 -7.779 1.00 0.00 H new ATOM 0 HB VAL A 58 13.878 -1.749 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.725 -0.511 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.341 -2.009 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.784 -0.440 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.927 0.728 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.952 0.820 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.256 0.114 -5.079 1.00 0.00 H new ATOM 926 N ALA A 59 13.251 -4.200 -6.610 1.00 0.00 N ATOM 927 CA ALA A 59 13.834 -5.506 -7.031 1.00 0.00 C ATOM 928 C ALA A 59 13.049 -6.109 -8.199 1.00 0.00 C ATOM 929 O ALA A 59 13.622 -6.689 -9.099 1.00 0.00 O ATOM 930 CB ALA A 59 13.829 -6.480 -5.847 1.00 0.00 C ATOM 0 H ALA A 59 12.907 -4.170 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 59 14.858 -5.333 -7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.256 -7.433 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.423 -6.065 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.805 -6.635 -5.507 1.00 0.00 H new ATOM 936 N THR A 60 11.737 -6.000 -8.185 1.00 0.00 N ATOM 937 CA THR A 60 10.912 -6.592 -9.294 1.00 0.00 C ATOM 938 C THR A 60 10.101 -5.502 -9.981 1.00 0.00 C ATOM 939 O THR A 60 9.632 -4.574 -9.363 1.00 0.00 O ATOM 940 CB THR A 60 9.956 -7.643 -8.726 1.00 0.00 C ATOM 941 OG1 THR A 60 10.671 -8.530 -7.874 1.00 0.00 O ATOM 942 CG2 THR A 60 9.338 -8.441 -9.875 1.00 0.00 C ATOM 0 H THR A 60 11.203 -5.528 -7.455 1.00 0.00 H new ATOM 0 HA THR A 60 11.582 -7.057 -10.017 1.00 0.00 H new ATOM 0 HB THR A 60 9.171 -7.145 -8.157 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.528 -8.272 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.657 -9.190 -9.472 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.789 -7.767 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.128 -8.935 -10.441 1.00 0.00 H new ATOM 950 N GLY A 61 9.927 -5.623 -11.262 1.00 0.00 N ATOM 951 CA GLY A 61 9.142 -4.601 -12.000 1.00 0.00 C ATOM 952 C GLY A 61 7.658 -4.751 -11.652 1.00 0.00 C ATOM 953 O GLY A 61 6.812 -4.079 -12.208 1.00 0.00 O ATOM 0 H GLY A 61 10.294 -6.385 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.489 -3.601 -11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.289 -4.719 -13.074 1.00 0.00 H new ATOM 957 N THR A 62 7.336 -5.631 -10.736 1.00 0.00 N ATOM 958 CA THR A 62 5.904 -5.831 -10.354 1.00 0.00 C ATOM 959 C THR A 62 5.388 -4.588 -9.624 1.00 0.00 C ATOM 960 O THR A 62 6.076 -4.006 -8.811 1.00 0.00 O ATOM 961 CB THR A 62 5.765 -7.053 -9.437 1.00 0.00 C ATOM 962 OG1 THR A 62 6.144 -8.234 -10.144 1.00 0.00 O ATOM 963 CG2 THR A 62 4.313 -7.162 -8.963 1.00 0.00 C ATOM 0 H THR A 62 8.003 -6.219 -10.237 1.00 0.00 H new ATOM 0 HA THR A 62 5.319 -5.996 -11.259 1.00 0.00 H new ATOM 0 HB THR A 62 6.419 -6.941 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.055 -9.011 -9.554 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.207 -8.029 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.040 -6.260 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.656 -7.275 -9.826 1.00 0.00 H new ATOM 971 N ASN A 63 4.177 -4.173 -9.926 1.00 0.00 N ATOM 972 CA ASN A 63 3.602 -2.950 -9.274 1.00 0.00 C ATOM 973 C ASN A 63 2.246 -3.242 -8.623 1.00 0.00 C ATOM 974 O ASN A 63 1.351 -3.782 -9.239 1.00 0.00 O ATOM 975 CB ASN A 63 3.407 -1.878 -10.345 1.00 0.00 C ATOM 976 CG ASN A 63 2.753 -0.636 -9.721 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.408 0.361 -9.486 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.477 -0.658 -9.438 1.00 0.00 N ATOM 0 H ASN A 63 3.561 -4.631 -10.598 1.00 0.00 H new ATOM 0 HA ASN A 63 4.290 -2.618 -8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.368 -1.612 -10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.782 -2.264 -11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.033 0.160 -9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.925 -1.493 -9.634 1.00 0.00 H new ATOM 985 N LEU A 64 2.090 -2.855 -7.378 1.00 0.00 N ATOM 986 CA LEU A 64 0.790 -3.071 -6.654 1.00 0.00 C ATOM 987 C LEU A 64 0.097 -1.709 -6.477 1.00 0.00 C ATOM 988 O LEU A 64 0.667 -0.785 -5.929 1.00 0.00 O ATOM 989 CB LEU A 64 1.048 -3.661 -5.247 1.00 0.00 C ATOM 990 CG LEU A 64 1.423 -5.160 -5.293 1.00 0.00 C ATOM 991 CD1 LEU A 64 0.164 -6.027 -5.429 1.00 0.00 C ATOM 992 CD2 LEU A 64 2.366 -5.459 -6.458 1.00 0.00 C ATOM 0 H LEU A 64 2.813 -2.394 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 64 0.173 -3.759 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.851 -3.104 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.157 -3.532 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 64 1.931 -5.398 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.448 -7.079 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.492 -5.853 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.360 -5.766 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.612 -6.521 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.880 -5.194 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.280 -4.876 -6.345 1.00 0.00 H new ATOM 1004 N SER A 65 -1.135 -1.582 -6.919 1.00 0.00 N ATOM 1005 CA SER A 65 -1.875 -0.287 -6.763 1.00 0.00 C ATOM 1006 C SER A 65 -2.945 -0.445 -5.679 1.00 0.00 C ATOM 1007 O SER A 65 -3.656 -1.430 -5.644 1.00 0.00 O ATOM 1008 CB SER A 65 -2.548 0.079 -8.088 1.00 0.00 C ATOM 1009 OG SER A 65 -3.625 -0.820 -8.345 1.00 0.00 O ATOM 0 H SER A 65 -1.661 -2.323 -7.383 1.00 0.00 H new ATOM 0 HA SER A 65 -1.177 0.501 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.918 1.103 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.822 0.034 -8.900 1.00 0.00 H new ATOM 0 HG SER A 65 -3.827 -1.329 -7.532 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.072 0.514 -4.789 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.111 0.403 -3.708 1.00 0.00 C ATOM 1017 C LEU A 66 -4.689 1.793 -3.371 1.00 0.00 C ATOM 1018 O LEU A 66 -4.136 2.823 -3.731 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.498 -0.215 -2.428 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.041 0.285 -2.223 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.764 0.483 -0.723 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.035 -0.739 -2.793 1.00 0.00 C ATOM 0 H LEU A 66 -2.507 1.363 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.910 -0.242 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.105 0.051 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.508 -1.302 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.923 1.233 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.741 0.834 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.458 1.220 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.896 -0.464 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.019 -0.374 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.158 -1.693 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.217 -0.873 -3.859 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.805 1.814 -2.666 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.451 3.107 -2.276 1.00 0.00 C ATOM 1036 C GLN A 67 -6.840 3.033 -0.792 1.00 0.00 C ATOM 1037 O GLN A 67 -7.658 2.225 -0.397 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.722 3.304 -3.119 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.438 2.907 -4.573 1.00 0.00 C ATOM 1040 CD GLN A 67 -7.489 1.387 -4.702 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -8.189 0.724 -3.961 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -6.769 0.807 -5.615 1.00 0.00 N ATOM 0 H GLN A 67 -6.296 0.980 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.764 3.937 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.535 2.699 -2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.045 4.344 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.172 3.364 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.459 3.276 -4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.183 1.367 -6.235 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.790 -0.208 -5.712 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.251 3.859 0.035 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.580 3.828 1.499 1.00 0.00 C ATOM 1053 C PHE A 68 -7.740 4.787 1.821 1.00 0.00 C ATOM 1054 O PHE A 68 -8.853 4.370 2.079 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.325 4.207 2.312 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.461 5.153 1.511 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.702 4.648 0.454 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.415 6.524 1.817 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.893 5.506 -0.299 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.602 7.383 1.062 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.843 6.872 0.003 1.00 0.00 C ATOM 0 H PHE A 68 -5.556 4.555 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.896 2.821 1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.617 4.675 3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.760 3.310 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.739 3.595 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.005 6.916 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.305 5.113 -1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.562 8.436 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.219 7.532 -0.581 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.480 6.068 1.820 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.555 7.063 2.132 1.00 0.00 C ATOM 1073 C PHE A 69 -8.373 8.312 1.263 1.00 0.00 C ATOM 1074 O PHE A 69 -7.799 9.293 1.689 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.464 7.457 3.608 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.535 8.482 3.928 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.892 8.163 3.755 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.174 9.756 4.388 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.879 9.111 4.039 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.164 10.702 4.672 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.515 10.380 4.496 1.00 0.00 C ATOM 0 H PHE A 69 -6.566 6.472 1.616 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.529 6.619 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.589 6.577 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.478 7.867 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.174 7.182 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.132 10.007 4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.922 8.863 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.886 11.683 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.277 11.114 4.714 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.857 8.270 0.048 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.750 9.396 -0.910 1.00 0.00 C ATOM 1093 C PRO A 70 -9.953 10.324 -0.782 1.00 0.00 C ATOM 1094 O PRO A 70 -11.063 9.873 -0.581 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.771 8.663 -2.247 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.749 7.558 -2.029 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.583 7.139 -0.558 1.00 0.00 C ATOM 0 HA PRO A 70 -7.874 10.028 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.083 9.320 -3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.785 8.279 -2.509 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.767 7.892 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.550 6.722 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.547 6.978 -0.076 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.022 6.209 -0.468 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.769 11.609 -0.882 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.949 12.505 -0.750 1.00 0.00 C ATOM 1107 C ALA A 71 -11.975 12.102 -1.802 1.00 0.00 C ATOM 1108 O ALA A 71 -13.151 11.965 -1.529 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.526 13.956 -0.974 1.00 0.00 C ATOM 0 H ALA A 71 -8.874 12.070 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.377 12.416 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.394 14.607 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.777 14.235 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.104 14.062 -1.973 1.00 0.00 H new ATOM 1115 N SER A 72 -11.521 11.896 -3.000 1.00 0.00 N ATOM 1116 CA SER A 72 -12.429 11.480 -4.097 1.00 0.00 C ATOM 1117 C SER A 72 -11.592 11.214 -5.337 1.00 0.00 C ATOM 1118 O SER A 72 -10.423 11.541 -5.390 1.00 0.00 O ATOM 1119 CB SER A 72 -13.428 12.590 -4.416 1.00 0.00 C ATOM 1120 OG SER A 72 -14.319 12.147 -5.437 1.00 0.00 O ATOM 0 H SER A 72 -10.543 12.000 -3.271 1.00 0.00 H new ATOM 0 HA SER A 72 -12.975 10.587 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.988 12.858 -3.520 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.900 13.486 -4.742 1.00 0.00 H new ATOM 0 HG SER A 72 -14.962 12.858 -5.641 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.165 17.194 2.144 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.462 15.869 2.108 1.00 0.00 C ATOM 1263 C PRO A 81 -6.062 14.862 3.094 1.00 0.00 C ATOM 1264 O PRO A 81 -7.090 15.099 3.699 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.016 16.212 2.511 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.149 17.416 3.385 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.340 18.211 2.839 1.00 0.00 C ATOM 0 HA PRO A 81 -5.545 15.397 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.545 15.385 3.043 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.399 16.422 1.637 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.317 17.127 4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.239 18.015 3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.897 18.696 3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.016 18.996 2.156 1.00 0.00 H new ATOM 1275 N SER A 82 -5.405 13.744 3.259 1.00 0.00 N ATOM 1276 CA SER A 82 -5.893 12.705 4.206 1.00 0.00 C ATOM 1277 C SER A 82 -5.314 12.999 5.587 1.00 0.00 C ATOM 1278 O SER A 82 -4.128 12.904 5.816 1.00 0.00 O ATOM 1279 CB SER A 82 -5.421 11.336 3.712 1.00 0.00 C ATOM 1280 OG SER A 82 -5.499 10.396 4.773 1.00 0.00 O ATOM 0 H SER A 82 -4.541 13.506 2.771 1.00 0.00 H new ATOM 0 HA SER A 82 -6.981 12.709 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.037 11.007 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.396 11.403 3.346 1.00 0.00 H new ATOM 0 HG SER A 82 -5.198 9.519 4.456 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.145 13.371 6.511 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.642 13.695 7.872 1.00 0.00 C ATOM 1288 C ARG A 83 -4.952 12.475 8.462 1.00 0.00 C ATOM 1289 O ARG A 83 -3.991 12.585 9.199 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.818 14.084 8.760 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.302 14.614 10.100 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.492 14.940 11.001 1.00 0.00 C ATOM 1293 NE ARG A 83 -8.261 16.070 10.413 1.00 0.00 N ATOM 1294 CZ ARG A 83 -9.473 16.324 10.831 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -10.009 15.602 11.781 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -10.156 17.295 10.291 1.00 0.00 N ATOM 0 H ARG A 83 -7.153 13.466 6.385 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.933 14.521 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.423 14.845 8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.463 13.221 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.662 13.871 10.577 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.694 15.505 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.133 14.065 11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.145 15.203 12.000 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.842 16.647 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.481 14.836 12.199 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.955 15.805 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.744 17.854 9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.102 17.495 10.616 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.443 11.317 8.149 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.828 10.079 8.697 1.00 0.00 C ATOM 1312 C GLU A 84 -3.354 10.003 8.274 1.00 0.00 C ATOM 1313 O GLU A 84 -2.532 9.444 8.969 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.582 8.850 8.167 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.001 8.839 8.735 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.744 7.593 8.242 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -8.334 7.658 7.178 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -7.726 6.598 8.951 1.00 0.00 O ATOM 0 H GLU A 84 -6.245 11.170 7.536 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.889 10.098 9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.615 8.872 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.058 7.938 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.967 8.847 9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.534 9.738 8.426 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.014 10.543 7.130 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.592 10.474 6.661 1.00 0.00 C ATOM 1327 C TYR A 85 -0.678 11.290 7.586 1.00 0.00 C ATOM 1328 O TYR A 85 0.451 10.916 7.832 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.518 10.940 5.176 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.776 12.263 4.970 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.601 12.350 5.216 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.460 13.383 4.460 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.288 13.549 4.957 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.777 14.577 4.209 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.597 14.659 4.452 1.00 0.00 C ATOM 1336 OH TYR A 85 1.263 15.837 4.190 1.00 0.00 O ATOM 0 H TYR A 85 -3.655 11.027 6.502 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.233 9.446 6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.026 10.165 4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.531 11.040 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.135 11.495 5.605 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.520 13.319 4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.349 13.615 5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.311 15.435 3.828 1.00 0.00 H new ATOM 0 HH TYR A 85 0.630 16.501 3.844 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.152 12.379 8.126 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.288 13.193 9.048 1.00 0.00 C ATOM 1348 C VAL A 86 -0.495 12.740 10.484 1.00 0.00 C ATOM 1349 O VAL A 86 0.045 13.313 11.408 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.626 14.691 8.906 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.613 15.549 9.215 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -1.075 14.967 7.469 1.00 0.00 C ATOM 0 H VAL A 86 -2.092 12.744 7.975 1.00 0.00 H new ATOM 0 HA VAL A 86 0.758 13.045 8.779 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.421 14.945 9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.360 16.604 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.945 15.354 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.413 15.297 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.316 16.024 7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.272 14.705 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.957 14.368 7.242 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.251 11.703 10.682 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.465 11.203 12.068 1.00 0.00 C ATOM 1364 C ASP A 87 -0.424 10.128 12.321 1.00 0.00 C ATOM 1365 O ASP A 87 -0.291 9.614 13.415 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.890 10.634 12.206 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.034 9.239 11.555 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.044 8.678 11.113 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.149 8.745 11.526 1.00 0.00 O ATOM 0 H ASP A 87 -1.730 11.179 9.949 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.362 12.006 12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.151 10.568 13.262 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.599 11.322 11.745 1.00 0.00 H new ATOM 1374 N LEU A 88 0.332 9.802 11.297 1.00 0.00 N ATOM 1375 CA LEU A 88 1.397 8.770 11.431 1.00 0.00 C ATOM 1376 C LEU A 88 2.728 9.403 11.063 1.00 0.00 C ATOM 1377 O LEU A 88 3.780 8.832 11.272 1.00 0.00 O ATOM 1378 CB LEU A 88 1.103 7.556 10.528 1.00 0.00 C ATOM 1379 CG LEU A 88 0.453 7.978 9.189 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.538 8.412 8.203 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.319 6.783 8.609 1.00 0.00 C ATOM 0 H LEU A 88 0.251 10.214 10.368 1.00 0.00 H new ATOM 0 HA LEU A 88 1.430 8.409 12.459 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.030 7.019 10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.441 6.866 11.051 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.229 8.811 9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.076 8.708 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.090 9.255 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.222 7.582 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.781 7.072 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.368 5.954 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.093 6.474 9.312 1.00 0.00 H new ATOM 1393 N GLU A 89 2.694 10.595 10.538 1.00 0.00 N ATOM 1394 CA GLU A 89 3.963 11.281 10.178 1.00 0.00 C ATOM 1395 C GLU A 89 4.468 11.967 11.435 1.00 0.00 C ATOM 1396 O GLU A 89 5.645 12.190 11.621 1.00 0.00 O ATOM 1397 CB GLU A 89 3.674 12.309 9.086 1.00 0.00 C ATOM 1398 CG GLU A 89 4.972 12.713 8.396 1.00 0.00 C ATOM 1399 CD GLU A 89 4.667 13.807 7.375 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.740 14.566 7.610 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.354 13.862 6.368 1.00 0.00 O ATOM 0 H GLU A 89 1.843 11.123 10.343 1.00 0.00 H new ATOM 0 HA GLU A 89 4.711 10.582 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.979 11.892 8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.194 13.187 9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.693 13.072 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.421 11.851 7.903 1.00 0.00 H new ATOM 1408 N ARG A 90 3.567 12.267 12.312 1.00 0.00 N ATOM 1409 CA ARG A 90 3.944 12.900 13.590 1.00 0.00 C ATOM 1410 C ARG A 90 4.776 11.891 14.386 1.00 0.00 C ATOM 1411 O ARG A 90 5.598 12.248 15.204 1.00 0.00 O ATOM 1412 CB ARG A 90 2.669 13.273 14.357 1.00 0.00 C ATOM 1413 CG ARG A 90 3.000 14.189 15.540 1.00 0.00 C ATOM 1414 CD ARG A 90 1.701 14.526 16.290 1.00 0.00 C ATOM 1415 NE ARG A 90 0.745 15.233 15.372 1.00 0.00 N ATOM 1416 CZ ARG A 90 -0.527 15.324 15.671 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -1.002 14.741 16.735 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -1.327 15.987 14.882 1.00 0.00 N ATOM 0 H ARG A 90 2.568 12.097 12.195 1.00 0.00 H new ATOM 0 HA ARG A 90 4.527 13.806 13.425 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.969 13.773 13.688 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.177 12.369 14.716 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.705 13.698 16.210 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.479 15.102 15.187 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.244 13.613 16.671 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.922 15.155 17.152 1.00 0.00 H new ATOM 0 HE ARG A 90 1.090 15.647 14.506 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.382 14.208 17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.994 14.818 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.961 16.430 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.319 16.062 15.108 1.00 0.00 H new ATOM 1432 N GLU A 91 4.542 10.620 14.169 1.00 0.00 N ATOM 1433 CA GLU A 91 5.294 9.578 14.944 1.00 0.00 C ATOM 1434 C GLU A 91 6.725 9.366 14.415 1.00 0.00 C ATOM 1435 O GLU A 91 7.628 10.114 14.731 1.00 0.00 O ATOM 1436 CB GLU A 91 4.530 8.247 14.894 1.00 0.00 C ATOM 1437 CG GLU A 91 5.165 7.252 15.877 1.00 0.00 C ATOM 1438 CD GLU A 91 4.896 7.716 17.311 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.797 8.181 17.565 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.795 7.604 18.126 1.00 0.00 O ATOM 0 H GLU A 91 3.868 10.258 13.494 1.00 0.00 H new ATOM 0 HA GLU A 91 5.374 9.935 15.971 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.482 8.407 15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.553 7.840 13.883 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.752 6.255 15.721 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.238 7.183 15.700 1.00 0.00 H new ATOM 1447 N ALA A 92 6.940 8.321 13.654 1.00 0.00 N ATOM 1448 CA ALA A 92 8.304 8.012 13.137 1.00 0.00 C ATOM 1449 C ALA A 92 8.859 9.171 12.304 1.00 0.00 C ATOM 1450 O ALA A 92 10.035 9.208 11.997 1.00 0.00 O ATOM 1451 CB ALA A 92 8.221 6.757 12.257 1.00 0.00 C ATOM 0 H ALA A 92 6.217 7.662 13.367 1.00 0.00 H new ATOM 0 HA ALA A 92 8.971 7.851 13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.212 6.517 11.871 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.851 5.921 12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.542 6.941 11.425 1.00 0.00 H new ATOM 1457 N GLY A 93 8.029 10.090 11.887 1.00 0.00 N ATOM 1458 CA GLY A 93 8.534 11.194 11.022 1.00 0.00 C ATOM 1459 C GLY A 93 8.513 10.656 9.596 1.00 0.00 C ATOM 1460 O GLY A 93 9.189 11.142 8.712 1.00 0.00 O ATOM 0 H GLY A 93 7.033 10.124 12.105 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.905 12.080 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.543 11.487 11.313 1.00 0.00 H new ATOM 1464 N LYS A 94 7.747 9.613 9.399 1.00 0.00 N ATOM 1465 CA LYS A 94 7.665 8.951 8.064 1.00 0.00 C ATOM 1466 C LYS A 94 6.198 8.821 7.662 1.00 0.00 C ATOM 1467 O LYS A 94 5.324 8.808 8.500 1.00 0.00 O ATOM 1468 CB LYS A 94 8.248 7.541 8.201 1.00 0.00 C ATOM 1469 CG LYS A 94 9.627 7.618 8.871 1.00 0.00 C ATOM 1470 CD LYS A 94 10.276 6.220 8.964 1.00 0.00 C ATOM 1471 CE LYS A 94 11.018 5.878 7.662 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.314 6.617 7.595 1.00 0.00 N ATOM 0 H LYS A 94 7.166 9.186 10.120 1.00 0.00 H new ATOM 0 HA LYS A 94 8.208 9.532 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.579 6.916 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.335 7.075 7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.274 8.286 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.527 8.044 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.971 6.191 9.803 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.510 5.470 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.200 4.805 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.399 6.138 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.749 6.471 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.143 7.632 7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.954 6.263 8.335 1.00 0.00 H new ATOM 1486 N VAL A 95 5.920 8.692 6.390 1.00 0.00 N ATOM 1487 CA VAL A 95 4.500 8.534 5.938 1.00 0.00 C ATOM 1488 C VAL A 95 4.313 7.113 5.413 1.00 0.00 C ATOM 1489 O VAL A 95 5.037 6.680 4.538 1.00 0.00 O ATOM 1490 CB VAL A 95 4.230 9.527 4.808 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.787 9.370 4.307 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.452 10.951 5.325 1.00 0.00 C ATOM 0 H VAL A 95 6.614 8.689 5.642 1.00 0.00 H new ATOM 0 HA VAL A 95 3.814 8.720 6.765 1.00 0.00 H new ATOM 0 HB VAL A 95 4.911 9.331 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.602 10.081 3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.639 8.356 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.094 9.562 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.261 11.663 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.772 11.147 6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.481 11.058 5.667 1.00 0.00 H new ATOM 1502 N TYR A 96 3.352 6.375 5.920 1.00 0.00 N ATOM 1503 CA TYR A 96 3.149 4.987 5.404 1.00 0.00 C ATOM 1504 C TYR A 96 1.674 4.644 5.335 1.00 0.00 C ATOM 1505 O TYR A 96 0.848 5.252 5.982 1.00 0.00 O ATOM 1506 CB TYR A 96 3.895 3.985 6.284 1.00 0.00 C ATOM 1507 CG TYR A 96 3.282 3.842 7.654 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.689 4.700 8.677 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.362 2.815 7.920 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.174 4.548 9.967 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.850 2.654 9.210 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.252 3.520 10.236 1.00 0.00 C ATOM 1513 OH TYR A 96 1.744 3.357 11.511 1.00 0.00 O ATOM 0 H TYR A 96 2.711 6.669 6.656 1.00 0.00 H new ATOM 0 HA TYR A 96 3.552 4.933 4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.905 3.013 5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.933 4.301 6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.404 5.483 8.471 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.050 2.150 7.128 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.483 5.218 10.756 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.145 1.863 9.416 1.00 0.00 H new ATOM 0 HH TYR A 96 1.120 2.601 11.520 1.00 0.00 H new ATOM 1523 N LEU A 97 1.341 3.665 4.532 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.088 3.252 4.373 1.00 0.00 C ATOM 1525 C LEU A 97 -0.215 1.730 4.509 1.00 0.00 C ATOM 1526 O LEU A 97 0.632 0.966 4.059 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.608 3.695 2.986 1.00 0.00 C ATOM 1528 CG LEU A 97 0.568 3.810 1.985 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.079 3.474 0.577 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.122 5.248 1.996 1.00 0.00 C ATOM 0 H LEU A 97 2.005 3.128 3.974 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.683 3.729 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.340 2.976 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.118 4.654 3.070 1.00 0.00 H new ATOM 0 HG LEU A 97 1.353 3.113 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.908 3.556 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.311 2.456 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.709 4.170 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.949 5.325 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.334 5.944 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.475 5.494 2.997 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.292 1.311 5.129 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.586 -0.129 5.347 1.00 0.00 C ATOM 1544 C LYS A 98 -2.924 -0.455 4.687 1.00 0.00 C ATOM 1545 O LYS A 98 -3.883 0.282 4.829 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.694 -0.346 6.858 1.00 0.00 C ATOM 1547 CG LYS A 98 -1.997 -1.812 7.153 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.106 -2.030 8.670 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.205 -3.530 8.982 1.00 0.00 C ATOM 1550 NZ LYS A 98 -2.393 -3.720 10.447 1.00 0.00 N ATOM 0 H LYS A 98 -2.003 1.939 5.505 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.809 -0.766 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.763 -0.054 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.480 0.287 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.928 -2.105 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.210 -2.445 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.236 -1.603 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.983 -1.511 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.039 -3.972 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.301 -4.042 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.460 -4.736 10.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.583 -3.312 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.267 -3.245 10.749 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.018 -1.539 3.961 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.327 -1.856 3.311 1.00 0.00 C ATOM 1566 C ALA A 99 -4.424 -3.351 2.946 1.00 0.00 C ATOM 1567 O ALA A 99 -3.491 -3.908 2.401 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.440 -1.034 2.036 1.00 0.00 C ATOM 0 H ALA A 99 -2.265 -2.206 3.792 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.131 -1.619 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.389 -1.251 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.393 0.027 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.619 -1.288 1.365 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.557 -3.995 3.180 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.764 -5.422 2.798 1.00 0.00 C ATOM 1576 C PRO A 100 -6.305 -5.519 1.364 1.00 0.00 C ATOM 1577 O PRO A 100 -7.468 -5.271 1.115 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.814 -5.878 3.797 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.693 -4.678 3.963 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.766 -3.458 3.844 1.00 0.00 C ATOM 0 HA PRO A 100 -4.853 -6.020 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.374 -6.736 3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.363 -6.178 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.470 -4.654 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.197 -4.693 4.930 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.225 -2.663 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.532 -3.037 4.822 1.00 0.00 H new ATOM 1588 N MET A 101 -5.467 -5.838 0.417 1.00 0.00 N ATOM 1589 CA MET A 101 -5.934 -5.903 -1.016 1.00 0.00 C ATOM 1590 C MET A 101 -6.193 -7.350 -1.450 1.00 0.00 C ATOM 1591 O MET A 101 -5.395 -8.224 -1.207 1.00 0.00 O ATOM 1592 CB MET A 101 -4.856 -5.277 -1.914 1.00 0.00 C ATOM 1593 CG MET A 101 -5.312 -5.305 -3.383 1.00 0.00 C ATOM 1594 SD MET A 101 -6.738 -4.205 -3.594 1.00 0.00 S ATOM 1595 CE MET A 101 -5.857 -2.624 -3.614 1.00 0.00 C ATOM 0 H MET A 101 -4.481 -6.057 0.562 1.00 0.00 H new ATOM 0 HA MET A 101 -6.871 -5.354 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.664 -4.250 -1.604 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.919 -5.823 -1.805 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.497 -4.990 -4.034 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.577 -6.322 -3.673 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.962 -2.137 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.801 -2.799 -3.820 1.00 0.00 H new ATOM 0 HE3 MET A 101 -6.277 -1.983 -4.389 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.293 -7.607 -2.129 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.567 -9.001 -2.610 1.00 0.00 C ATOM 1607 C ILE A 102 -7.048 -9.181 -4.035 1.00 0.00 C ATOM 1608 O ILE A 102 -7.292 -8.382 -4.916 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.078 -9.362 -2.535 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.949 -8.110 -2.756 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.415 -10.015 -1.179 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.408 -8.423 -2.410 1.00 0.00 C ATOM 0 H ILE A 102 -8.005 -6.917 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.038 -9.684 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.295 -10.078 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.587 -7.290 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.874 -7.782 -3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.477 -10.260 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.829 -10.926 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.178 -9.321 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.018 -7.534 -2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.769 -9.229 -3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.477 -8.729 -1.366 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.344 -10.260 -4.244 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.782 -10.583 -5.584 1.00 0.00 C ATOM 1626 C LEU A 103 -6.577 -11.757 -6.151 1.00 0.00 C ATOM 1627 O LEU A 103 -7.515 -12.221 -5.537 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.317 -10.999 -5.432 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.569 -9.966 -4.594 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -2.073 -10.306 -4.594 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.794 -8.559 -5.170 1.00 0.00 C ATOM 0 H LEU A 103 -6.130 -10.948 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.844 -9.718 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.255 -11.979 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.852 -11.090 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.944 -9.985 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.533 -9.571 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.925 -11.299 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.696 -10.290 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.257 -7.828 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.426 -8.523 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.859 -8.327 -5.158 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.232 -12.237 -7.314 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.002 -13.382 -7.878 1.00 0.00 C ATOM 1645 C ASN A 104 -6.790 -14.605 -6.974 1.00 0.00 C ATOM 1646 O ASN A 104 -6.267 -15.619 -7.396 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.495 -13.703 -9.286 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.453 -14.680 -9.975 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -7.172 -15.859 -10.064 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -8.572 -14.234 -10.483 1.00 0.00 N ATOM 0 H ASN A 104 -5.464 -11.893 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.060 -13.126 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.414 -12.787 -9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.496 -14.136 -9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.210 -14.876 -10.954 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.807 -13.244 -10.408 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.193 -14.505 -5.738 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.033 -15.631 -4.775 1.00 0.00 C ATOM 1659 C GLY A 105 -7.720 -15.248 -3.458 1.00 0.00 C ATOM 1660 O GLY A 105 -8.883 -15.525 -3.242 1.00 0.00 O ATOM 0 H GLY A 105 -7.635 -13.673 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.473 -16.542 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.976 -15.836 -4.605 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.005 -14.592 -2.582 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.610 -14.162 -1.278 1.00 0.00 C ATOM 1666 C VAL A 106 -6.910 -12.875 -0.806 1.00 0.00 C ATOM 1667 O VAL A 106 -6.068 -12.332 -1.499 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.495 -15.285 -0.212 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.777 -15.324 0.640 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.331 -16.651 -0.888 1.00 0.00 C ATOM 0 H VAL A 106 -6.027 -14.333 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.672 -13.964 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.626 -15.075 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.693 -16.113 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.911 -14.364 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.635 -15.522 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.252 -17.427 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.196 -16.850 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.428 -16.649 -1.499 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.266 -12.356 0.343 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.627 -11.087 0.801 1.00 0.00 C ATOM 1682 C CYS A 107 -5.201 -11.319 1.276 1.00 0.00 C ATOM 1683 O CYS A 107 -4.863 -12.329 1.860 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.435 -10.445 1.931 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.836 -11.685 3.165 1.00 0.00 S ATOM 0 H CYS A 107 -7.962 -12.751 0.975 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.606 -10.415 -0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.863 -9.636 2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.349 -10.005 1.533 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.107 -11.636 3.432 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.389 -10.329 1.036 1.00 0.00 N ATOM 1692 CA VAL A 108 -2.964 -10.325 1.445 1.00 0.00 C ATOM 1693 C VAL A 108 -2.753 -8.955 2.102 1.00 0.00 C ATOM 1694 O VAL A 108 -3.462 -8.021 1.783 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.081 -10.483 0.196 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.249 -9.260 -0.704 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.603 -10.647 0.597 1.00 0.00 C ATOM 0 H VAL A 108 -4.675 -9.481 0.547 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.707 -11.137 2.125 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.390 -11.377 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.623 -9.371 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.293 -9.171 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.951 -8.364 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.007 -10.758 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.277 -9.767 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.492 -11.532 1.223 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.844 -8.810 3.035 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.684 -7.474 3.722 1.00 0.00 C ATOM 1709 C ILE A 109 -0.474 -6.694 3.163 1.00 0.00 C ATOM 1710 O ILE A 109 0.645 -7.171 3.148 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.503 -7.756 5.226 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.829 -6.512 6.067 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.061 -8.197 5.506 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.878 -6.930 7.543 1.00 0.00 C ATOM 0 H ILE A 109 -1.210 -9.543 3.353 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.562 -6.853 3.546 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.193 -8.553 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.073 -5.742 5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.784 -6.086 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 109 0.059 -8.394 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.158 -9.104 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.626 -7.407 5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.108 -6.061 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.649 -7.688 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.911 -7.338 7.838 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.711 -5.480 2.718 1.00 0.00 N ATOM 1727 CA TRP A 110 0.385 -4.615 2.167 1.00 0.00 C ATOM 1728 C TRP A 110 0.586 -3.412 3.106 1.00 0.00 C ATOM 1729 O TRP A 110 -0.359 -2.735 3.460 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.035 -4.125 0.776 1.00 0.00 C ATOM 1731 CG TRP A 110 1.142 -3.526 0.070 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.971 -4.209 -0.756 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.640 -2.153 0.103 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.953 -3.355 -1.214 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.794 -2.076 -0.717 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.216 -0.980 0.759 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.500 -0.884 -0.878 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.927 0.221 0.597 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.065 0.269 -0.217 1.00 0.00 C ATOM 0 H TRP A 110 -1.634 -5.045 2.714 1.00 0.00 H new ATOM 0 HA TRP A 110 1.317 -5.175 2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.435 -4.955 0.194 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.831 -3.386 0.866 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.878 -5.254 -1.014 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.705 -3.634 -1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.340 -1.004 1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.376 -0.852 -1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.593 1.114 1.104 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.607 1.196 -0.334 1.00 0.00 H new ATOM 1750 N LYS A 111 1.804 -3.136 3.518 1.00 0.00 N ATOM 1751 CA LYS A 111 2.050 -1.978 4.437 1.00 0.00 C ATOM 1752 C LYS A 111 3.427 -1.388 4.173 1.00 0.00 C ATOM 1753 O LYS A 111 4.343 -1.487 4.968 1.00 0.00 O ATOM 1754 CB LYS A 111 1.923 -2.433 5.895 1.00 0.00 C ATOM 1755 CG LYS A 111 2.729 -3.704 6.125 1.00 0.00 C ATOM 1756 CD LYS A 111 2.463 -4.216 7.543 1.00 0.00 C ATOM 1757 CE LYS A 111 3.435 -5.353 7.855 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.130 -5.908 9.201 1.00 0.00 N ATOM 0 H LYS A 111 2.637 -3.663 3.257 1.00 0.00 H new ATOM 0 HA LYS A 111 1.304 -1.205 4.251 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.276 -1.645 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.875 -2.610 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.452 -4.463 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.792 -3.505 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.586 -3.408 8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.434 -4.566 7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.352 -6.135 7.100 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.461 -4.988 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.791 -6.682 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.230 -5.159 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.155 -6.271 9.214 1.00 0.00 H new ATOM 1772 N GLY A 112 3.558 -0.756 3.049 1.00 0.00 N ATOM 1773 CA GLY A 112 4.850 -0.127 2.685 1.00 0.00 C ATOM 1774 C GLY A 112 5.030 1.160 3.478 1.00 0.00 C ATOM 1775 O GLY A 112 4.074 1.820 3.822 1.00 0.00 O ATOM 0 H GLY A 112 2.816 -0.646 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.672 -0.813 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.875 0.085 1.616 1.00 0.00 H new ATOM 1779 N TRP A 113 6.251 1.546 3.734 1.00 0.00 N ATOM 1780 CA TRP A 113 6.502 2.826 4.467 1.00 0.00 C ATOM 1781 C TRP A 113 7.666 3.551 3.801 1.00 0.00 C ATOM 1782 O TRP A 113 8.463 2.955 3.114 1.00 0.00 O ATOM 1783 CB TRP A 113 6.800 2.560 5.956 1.00 0.00 C ATOM 1784 CG TRP A 113 7.813 1.487 6.105 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.516 0.200 6.386 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.262 1.570 6.009 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.691 -0.519 6.467 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.793 0.281 6.240 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.157 2.624 5.745 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.164 0.042 6.213 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.542 2.384 5.713 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.043 1.094 5.948 1.00 0.00 C ATOM 0 H TRP A 113 7.090 1.030 3.467 1.00 0.00 H new ATOM 0 HA TRP A 113 5.610 3.451 4.423 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.159 3.474 6.429 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.882 2.274 6.470 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.523 -0.201 6.525 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.739 -1.518 6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.779 3.620 5.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.546 -0.952 6.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.224 3.196 5.507 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.108 0.915 5.924 1.00 0.00 H new ATOM 1803 N ILE A 114 7.754 4.837 3.987 1.00 0.00 N ATOM 1804 CA ILE A 114 8.851 5.622 3.356 1.00 0.00 C ATOM 1805 C ILE A 114 9.119 6.839 4.222 1.00 0.00 C ATOM 1806 O ILE A 114 8.245 7.320 4.910 1.00 0.00 O ATOM 1807 CB ILE A 114 8.446 6.091 1.943 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.046 6.732 1.964 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.471 4.929 0.945 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.501 6.908 0.531 1.00 0.00 C ATOM 0 H ILE A 114 7.107 5.384 4.555 1.00 0.00 H new ATOM 0 HA ILE A 114 9.740 4.997 3.271 1.00 0.00 H new ATOM 0 HB ILE A 114 9.173 6.837 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.365 6.109 2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.092 7.701 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.181 5.290 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.477 4.512 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.773 4.157 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.511 7.363 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.173 7.551 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.434 5.935 0.045 1.00 0.00 H new ATOM 1822 N ASP A 115 10.318 7.348 4.209 1.00 0.00 N ATOM 1823 CA ASP A 115 10.607 8.533 5.048 1.00 0.00 C ATOM 1824 C ASP A 115 10.078 9.785 4.354 1.00 0.00 C ATOM 1825 O ASP A 115 9.697 9.759 3.200 1.00 0.00 O ATOM 1826 CB ASP A 115 12.112 8.640 5.277 1.00 0.00 C ATOM 1827 CG ASP A 115 12.393 9.513 6.504 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.453 10.088 7.025 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.545 9.587 6.900 1.00 0.00 O ATOM 0 H ASP A 115 11.101 6.996 3.658 1.00 0.00 H new ATOM 0 HA ASP A 115 10.114 8.433 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.538 7.647 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.593 9.068 4.398 1.00 0.00 H new ATOM 1834 N LEU A 116 10.027 10.868 5.071 1.00 0.00 N ATOM 1835 CA LEU A 116 9.494 12.141 4.506 1.00 0.00 C ATOM 1836 C LEU A 116 10.443 12.693 3.422 1.00 0.00 C ATOM 1837 O LEU A 116 10.018 13.426 2.551 1.00 0.00 O ATOM 1838 CB LEU A 116 9.343 13.156 5.662 1.00 0.00 C ATOM 1839 CG LEU A 116 8.193 14.153 5.386 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.866 14.923 6.672 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.570 15.140 4.255 1.00 0.00 C ATOM 0 H LEU A 116 10.336 10.929 6.041 1.00 0.00 H new ATOM 0 HA LEU A 116 8.526 11.963 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.150 12.624 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.277 13.702 5.794 1.00 0.00 H new ATOM 0 HG LEU A 116 7.316 13.592 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.056 15.626 6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.561 14.222 7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.749 15.469 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.743 15.829 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.457 15.703 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.776 14.584 3.340 1.00 0.00 H new ATOM 1853 N HIS A 117 11.724 12.369 3.468 1.00 0.00 N ATOM 1854 CA HIS A 117 12.676 12.908 2.432 1.00 0.00 C ATOM 1855 C HIS A 117 12.965 11.847 1.359 1.00 0.00 C ATOM 1856 O HIS A 117 12.710 12.067 0.192 1.00 0.00 O ATOM 1857 CB HIS A 117 13.985 13.363 3.108 1.00 0.00 C ATOM 1858 CG HIS A 117 14.861 12.181 3.467 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.116 11.989 2.902 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.683 11.126 4.330 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.633 10.863 3.424 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.801 10.298 4.302 1.00 0.00 N ATOM 0 H HIS A 117 12.146 11.761 4.171 1.00 0.00 H new ATOM 0 HA HIS A 117 12.214 13.767 1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.528 14.031 2.440 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.753 13.932 4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.806 10.964 4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.603 10.464 3.165 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.952 9.443 4.837 1.00 0.00 H new ATOM 1870 N ARG A 118 13.480 10.698 1.725 1.00 0.00 N ATOM 1871 CA ARG A 118 13.756 9.649 0.690 1.00 0.00 C ATOM 1872 C ARG A 118 12.539 8.726 0.565 1.00 0.00 C ATOM 1873 O ARG A 118 12.060 8.157 1.526 1.00 0.00 O ATOM 1874 CB ARG A 118 15.018 8.851 1.056 1.00 0.00 C ATOM 1875 CG ARG A 118 14.769 7.978 2.286 1.00 0.00 C ATOM 1876 CD ARG A 118 16.099 7.386 2.767 1.00 0.00 C ATOM 1877 NE ARG A 118 15.850 6.378 3.841 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.747 5.463 4.115 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.822 5.351 3.377 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.548 4.638 5.115 1.00 0.00 N ATOM 0 H ARG A 118 13.719 10.442 2.683 1.00 0.00 H new ATOM 0 HA ARG A 118 13.935 10.128 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.315 8.225 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.843 9.536 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.313 8.570 3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.069 7.179 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.622 6.919 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.745 8.179 3.144 1.00 0.00 H new ATOM 0 HE ARG A 118 14.975 6.402 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.964 5.978 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.518 4.637 3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.698 4.711 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.243 3.924 5.333 1.00 0.00 H new ATOM 1894 N LEU A 119 12.023 8.610 -0.627 1.00 0.00 N ATOM 1895 CA LEU A 119 10.820 7.762 -0.864 1.00 0.00 C ATOM 1896 C LEU A 119 11.221 6.294 -1.079 1.00 0.00 C ATOM 1897 O LEU A 119 10.430 5.498 -1.537 1.00 0.00 O ATOM 1898 CB LEU A 119 10.118 8.227 -2.129 1.00 0.00 C ATOM 1899 CG LEU A 119 9.696 9.696 -2.024 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.005 10.083 -3.333 1.00 0.00 C ATOM 1901 CD2 LEU A 119 8.724 9.905 -0.853 1.00 0.00 C ATOM 0 H LEU A 119 12.389 9.073 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 119 10.171 7.848 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.781 8.097 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.240 7.606 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 119 10.575 10.315 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.694 11.126 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.698 9.949 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.131 9.450 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.439 10.956 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 119 7.834 9.295 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.208 9.613 0.079 1.00 0.00 H new ATOM 1913 N ASP A 120 12.446 5.944 -0.808 1.00 0.00 N ATOM 1914 CA ASP A 120 12.913 4.535 -1.058 1.00 0.00 C ATOM 1915 C ASP A 120 12.861 3.714 0.226 1.00 0.00 C ATOM 1916 O ASP A 120 13.848 3.160 0.664 1.00 0.00 O ATOM 1917 CB ASP A 120 14.349 4.572 -1.587 1.00 0.00 C ATOM 1918 CG ASP A 120 15.272 5.198 -0.540 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.774 5.598 0.495 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.463 5.273 -0.796 1.00 0.00 O ATOM 0 H ASP A 120 13.154 6.569 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 120 12.256 4.068 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.685 3.562 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.391 5.147 -2.512 1.00 0.00 H new ATOM 1925 N GLY A 121 11.713 3.623 0.819 1.00 0.00 N ATOM 1926 CA GLY A 121 11.573 2.824 2.066 1.00 0.00 C ATOM 1927 C GLY A 121 11.577 1.337 1.741 1.00 0.00 C ATOM 1928 O GLY A 121 12.197 0.886 0.800 1.00 0.00 O ATOM 0 H GLY A 121 10.856 4.070 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.390 3.057 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.646 3.090 2.575 1.00 0.00 H new ATOM 1932 N MET A 122 10.849 0.585 2.521 1.00 0.00 N ATOM 1933 CA MET A 122 10.738 -0.883 2.299 1.00 0.00 C ATOM 1934 C MET A 122 9.298 -1.286 2.621 1.00 0.00 C ATOM 1935 O MET A 122 8.588 -0.576 3.307 1.00 0.00 O ATOM 1936 CB MET A 122 11.703 -1.631 3.239 1.00 0.00 C ATOM 1937 CG MET A 122 11.913 -3.065 2.738 1.00 0.00 C ATOM 1938 SD MET A 122 12.776 -4.053 3.994 1.00 0.00 S ATOM 1939 CE MET A 122 14.320 -3.113 4.043 1.00 0.00 C ATOM 0 H MET A 122 10.317 0.934 3.318 1.00 0.00 H new ATOM 0 HA MET A 122 10.993 -1.135 1.270 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.659 -1.109 3.284 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.300 -1.646 4.252 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.950 -3.521 2.506 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.491 -3.053 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.055 -3.651 4.642 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.701 -2.986 3.030 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.136 -2.134 4.487 1.00 0.00 H new ATOM 1949 N GLY A 123 8.858 -2.409 2.139 1.00 0.00 N ATOM 1950 CA GLY A 123 7.465 -2.834 2.430 1.00 0.00 C ATOM 1951 C GLY A 123 7.344 -4.341 2.287 1.00 0.00 C ATOM 1952 O GLY A 123 7.445 -4.889 1.206 1.00 0.00 O ATOM 0 H GLY A 123 9.399 -3.050 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.187 -2.532 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.774 -2.339 1.748 1.00 0.00 H new ATOM 1956 N CYS A 124 7.123 -5.014 3.375 1.00 0.00 N ATOM 1957 CA CYS A 124 6.973 -6.491 3.317 1.00 0.00 C ATOM 1958 C CYS A 124 5.535 -6.830 2.969 1.00 0.00 C ATOM 1959 O CYS A 124 4.605 -6.198 3.430 1.00 0.00 O ATOM 1960 CB CYS A 124 7.323 -7.106 4.672 1.00 0.00 C ATOM 1961 SG CYS A 124 6.130 -6.536 5.902 1.00 0.00 S ATOM 0 H CYS A 124 7.039 -4.605 4.306 1.00 0.00 H new ATOM 0 HA CYS A 124 7.645 -6.892 2.559 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.306 -8.194 4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.333 -6.820 4.966 1.00 0.00 H new ATOM 0 HG CYS A 124 5.032 -6.176 5.307 1.00 0.00 H new ATOM 1967 N LEU A 125 5.350 -7.836 2.172 1.00 0.00 N ATOM 1968 CA LEU A 125 3.973 -8.266 1.780 1.00 0.00 C ATOM 1969 C LEU A 125 3.828 -9.735 2.167 1.00 0.00 C ATOM 1970 O LEU A 125 4.717 -10.525 1.938 1.00 0.00 O ATOM 1971 CB LEU A 125 3.828 -8.046 0.273 1.00 0.00 C ATOM 1972 CG LEU A 125 2.539 -8.661 -0.262 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.327 -7.986 0.393 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.491 -8.454 -1.774 1.00 0.00 C ATOM 0 H LEU A 125 6.102 -8.392 1.765 1.00 0.00 H new ATOM 0 HA LEU A 125 3.190 -7.697 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.839 -6.977 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.682 -8.484 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 125 2.513 -9.726 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.410 -8.430 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.371 -8.127 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.338 -6.920 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.574 -8.889 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.513 -7.387 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.352 -8.938 -2.235 1.00 0.00 H new ATOM 1986 N GLU A 126 2.735 -10.101 2.792 1.00 0.00 N ATOM 1987 CA GLU A 126 2.571 -11.530 3.234 1.00 0.00 C ATOM 1988 C GLU A 126 1.100 -11.983 3.168 1.00 0.00 C ATOM 1989 O GLU A 126 0.208 -11.307 3.641 1.00 0.00 O ATOM 1990 CB GLU A 126 3.040 -11.661 4.690 1.00 0.00 C ATOM 1991 CG GLU A 126 4.487 -11.182 4.818 1.00 0.00 C ATOM 1992 CD GLU A 126 5.048 -11.580 6.186 1.00 0.00 C ATOM 1993 OE1 GLU A 126 5.508 -12.704 6.310 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.015 -10.752 7.082 1.00 0.00 O ATOM 0 H GLU A 126 1.955 -9.483 3.015 1.00 0.00 H new ATOM 0 HA GLU A 126 3.163 -12.154 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.395 -11.074 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.962 -12.699 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.095 -11.618 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.533 -10.100 4.697 1.00 0.00 H new ATOM 2001 N PHE A 127 0.853 -13.150 2.626 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.542 -13.695 2.570 1.00 0.00 C ATOM 2003 C PHE A 127 -0.886 -14.316 3.945 1.00 0.00 C ATOM 2004 O PHE A 127 -0.636 -15.485 4.176 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.594 -14.773 1.455 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.363 -14.290 0.237 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.760 -14.406 0.212 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -0.684 -13.765 -0.879 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -3.480 -13.994 -0.916 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -1.405 -13.356 -2.009 1.00 0.00 C ATOM 2011 CZ PHE A 127 -2.802 -13.472 -2.029 1.00 0.00 C ATOM 0 H PHE A 127 1.564 -13.755 2.216 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.265 -12.910 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.421 -15.041 1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.062 -15.677 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.282 -14.814 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.392 -13.677 -0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -4.557 -14.078 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.884 -12.951 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.357 -13.160 -2.901 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.447 -13.553 4.859 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.786 -14.124 6.217 1.00 0.00 C ATOM 2023 C ASP A 128 -3.034 -13.459 6.815 1.00 0.00 C ATOM 2024 O ASP A 128 -3.285 -13.541 8.002 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.603 -13.921 7.167 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.824 -14.730 8.446 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -1.847 -15.389 8.542 1.00 0.00 O ATOM 2028 OD2 ASP A 128 0.039 -14.679 9.308 1.00 0.00 O ATOM 0 H ASP A 128 -1.684 -12.569 4.730 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.994 -15.187 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.322 -14.233 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.495 -12.864 7.408 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.806 -12.804 6.013 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.037 -12.130 6.522 1.00 0.00 C ATOM 2035 C GLU A 129 -6.056 -13.148 7.073 1.00 0.00 C ATOM 2036 O GLU A 129 -6.568 -14.016 6.367 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.650 -11.346 5.366 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.897 -10.027 5.136 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.151 -9.056 6.295 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.461 -9.158 7.298 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -6.024 -8.209 6.161 1.00 0.00 O ATOM 0 H GLU A 129 -3.643 -12.700 5.012 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.773 -11.466 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.622 -11.948 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.699 -11.138 5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.829 -10.222 5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.220 -9.576 4.198 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.389 -13.025 8.329 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.392 -13.945 8.916 1.00 0.00 C ATOM 2050 C GLU A 130 -8.706 -13.784 8.157 1.00 0.00 C ATOM 2051 O GLU A 130 -9.468 -14.715 8.005 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.590 -13.605 10.397 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.348 -12.274 10.532 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.307 -11.800 11.984 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -7.550 -12.371 12.752 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -9.028 -10.868 12.302 1.00 0.00 O ATOM 0 H GLU A 130 -6.009 -12.328 8.969 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.051 -14.977 8.836 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.146 -14.402 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.623 -13.535 10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.900 -11.522 9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.382 -12.399 10.210 1.00 0.00 H new ATOM 2063 N ARG A 131 -8.978 -12.614 7.657 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.237 -12.442 6.899 1.00 0.00 C ATOM 2065 C ARG A 131 -10.110 -13.236 5.609 1.00 0.00 C ATOM 2066 O ARG A 131 -11.071 -13.517 4.929 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.532 -10.958 6.621 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.263 -10.201 6.220 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.568 -8.707 6.177 1.00 0.00 C ATOM 2070 NE ARG A 131 -9.822 -8.200 7.556 1.00 0.00 N ATOM 2071 CZ ARG A 131 -9.775 -6.921 7.800 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.489 -6.082 6.841 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -10.022 -6.477 9.000 1.00 0.00 N ATOM 0 H ARG A 131 -8.392 -11.783 7.740 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.079 -12.812 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.273 -10.876 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.966 -10.499 7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.464 -10.402 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.913 -10.542 5.246 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.731 -8.169 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.438 -8.523 5.547 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.033 -8.855 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.302 -6.428 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.453 -5.081 7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -10.252 -7.131 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -9.985 -5.476 9.191 1.00 0.00 H new ATOM 2087 N ALA A 132 -8.917 -13.632 5.288 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.720 -14.442 4.066 1.00 0.00 C ATOM 2089 C ALA A 132 -9.472 -15.741 4.222 1.00 0.00 C ATOM 2090 O ALA A 132 -10.201 -16.158 3.346 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.230 -14.750 3.887 1.00 0.00 C ATOM 0 H ALA A 132 -8.070 -13.429 5.820 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.084 -13.893 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.087 -15.347 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.674 -13.817 3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.867 -15.306 4.752 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.300 -16.396 5.327 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.028 -17.689 5.493 1.00 0.00 C ATOM 2099 C GLN A 133 -11.548 -17.426 5.496 1.00 0.00 C ATOM 2100 O GLN A 133 -12.321 -18.142 4.875 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.578 -18.384 6.798 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.360 -17.857 8.012 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.631 -18.232 9.306 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -8.420 -18.153 9.382 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.324 -18.648 10.332 1.00 0.00 N ATOM 0 H GLN A 133 -8.707 -16.110 6.106 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.794 -18.353 4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.725 -19.460 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.511 -18.219 6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.466 -16.774 7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.366 -18.276 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.340 -18.714 10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.849 -18.907 11.197 1.00 0.00 H new ATOM 2114 N GLN A 134 -11.983 -16.400 6.186 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.444 -16.107 6.228 1.00 0.00 C ATOM 2116 C GLN A 134 -13.921 -15.482 4.895 1.00 0.00 C ATOM 2117 O GLN A 134 -14.994 -15.791 4.414 1.00 0.00 O ATOM 2118 CB GLN A 134 -13.746 -15.183 7.436 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.655 -13.694 7.053 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.976 -13.201 6.459 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -16.017 -13.338 7.065 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.972 -12.622 5.288 1.00 0.00 N ATOM 0 H GLN A 134 -11.393 -15.759 6.717 1.00 0.00 H new ATOM 0 HA GLN A 134 -13.997 -17.038 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -14.743 -15.400 7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.042 -15.395 8.241 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.405 -13.103 7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -12.851 -13.548 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.096 -12.507 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -15.845 -12.285 4.883 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.152 -14.601 4.292 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.607 -13.977 3.010 1.00 0.00 C ATOM 2133 C GLU A 135 -13.604 -15.027 1.893 1.00 0.00 C ATOM 2134 O GLU A 135 -14.368 -14.945 0.953 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.701 -12.782 2.631 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.433 -13.261 1.896 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.701 -13.312 0.384 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.105 -12.296 -0.157 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.501 -14.361 -0.204 1.00 0.00 O ATOM 0 H GLU A 135 -12.240 -14.292 4.629 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.622 -13.602 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.254 -12.089 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.419 -12.235 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.603 -12.587 2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.142 -14.247 2.257 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.740 -16.008 1.972 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.716 -17.028 0.882 1.00 0.00 C ATOM 2148 C ASP A 136 -14.050 -17.775 0.869 1.00 0.00 C ATOM 2149 O ASP A 136 -14.609 -18.049 -0.176 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.532 -18.001 1.080 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.880 -19.123 2.070 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.845 -19.830 1.830 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -11.162 -19.266 3.041 1.00 0.00 O ATOM 0 H ASP A 136 -12.066 -16.145 2.725 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.577 -16.535 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.253 -18.436 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.665 -17.450 1.444 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.580 -18.084 2.020 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.900 -18.779 2.061 1.00 0.00 C ATOM 2160 C ALA A 137 -16.995 -17.812 1.597 1.00 0.00 C ATOM 2161 O ALA A 137 -17.849 -18.156 0.805 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.193 -19.233 3.489 1.00 0.00 C ATOM 0 H ALA A 137 -14.161 -17.888 2.929 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.876 -19.648 1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.157 -19.741 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.412 -19.917 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.219 -18.366 4.148 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.978 -16.599 2.096 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.016 -15.598 1.700 1.00 0.00 C ATOM 2170 C LEU A 138 -17.652 -14.973 0.354 1.00 0.00 C ATOM 2171 O LEU A 138 -18.259 -14.011 -0.072 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.095 -14.486 2.745 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.285 -15.084 4.135 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.454 -13.942 5.137 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.530 -15.986 4.153 1.00 0.00 C ATOM 0 H LEU A 138 -16.286 -16.259 2.764 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.977 -16.108 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.184 -13.888 2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.923 -13.816 2.513 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.417 -15.687 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.591 -14.353 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.565 -13.311 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.326 -13.347 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -19.658 -16.409 5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.410 -15.397 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.406 -16.792 3.430 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.654 -15.487 -0.302 1.00 0.00 N ATOM 2188 CA ALA A 139 -16.240 -14.903 -1.613 1.00 0.00 C ATOM 2189 C ALA A 139 -17.411 -14.973 -2.595 1.00 0.00 C ATOM 2190 O ALA A 139 -17.465 -14.247 -3.569 1.00 0.00 O ATOM 2191 CB ALA A 139 -15.066 -15.706 -2.169 1.00 0.00 C ATOM 0 H ALA A 139 -16.104 -16.287 0.010 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.944 -13.863 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.758 -15.285 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.232 -15.663 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -15.369 -16.744 -2.309 1.00 0.00 H new