USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot 76:sc= -0.652 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= -0.109 F(o=-1.5,f=-0.76) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 15 GLN : amide:sc= 0.587 K(o=0.59,f=-0.38) USER MOD Single : A 17 HIS : no HD1:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 20 GLN : amide:sc= 1.26 K(o=1.3,f=-0.16) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 48 ASN : amide:sc= 0.462 K(o=0.46,f=-5.1!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0794 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00799 USER MOD Single : A 75 TYR OH : rot -15:sc= 1.39 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.14 K(o=1.1,f=-0.057) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.0223 K(o=-0.022,f=-0.76) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 1.11 (180deg=0.275) USER MOD Single : A 100 SER OG : rot 81:sc= 0.791 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.256 F(o=-0.93,f=-0.26) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 2.08 (180deg=2.08) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -1 X(o=-1,f=-0.87) USER MOD Single : A 110 CYS SG : rot 33:sc= 0.344 USER MOD Single : A 114 MET CE :methyl -166:sc= -0.177 (180deg=-0.54) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 123 GLN : amide:sc= 0.61 K(o=0.61,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 4.039 17.706 -3.796 1.00 0.00 N ATOM 110 CA TYR A 11 3.795 16.272 -3.724 1.00 0.00 C ATOM 111 C TYR A 11 3.426 15.826 -2.312 1.00 0.00 C ATOM 112 O TYR A 11 2.462 15.078 -2.166 1.00 0.00 O ATOM 113 CB TYR A 11 4.994 15.501 -4.271 1.00 0.00 C ATOM 114 CG TYR A 11 5.220 15.748 -5.747 1.00 0.00 C ATOM 115 CD1 TYR A 11 4.237 15.371 -6.680 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.409 16.345 -6.194 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.438 15.597 -8.051 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.633 16.534 -7.565 1.00 0.00 C ATOM 119 CZ TYR A 11 5.645 16.169 -8.502 1.00 0.00 C ATOM 120 OH TYR A 11 5.865 16.370 -9.827 1.00 0.00 O ATOM 0 HA TYR A 11 2.933 16.045 -4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.888 15.787 -3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.843 14.435 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.324 14.906 -6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.154 16.660 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.668 15.333 -8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.565 16.961 -7.904 1.00 0.00 H new ATOM 0 HH TYR A 11 6.749 16.774 -9.954 1.00 0.00 H new ATOM 130 N SER A 12 4.108 16.307 -1.265 1.00 0.00 N ATOM 131 CA SER A 12 3.732 15.943 0.101 1.00 0.00 C ATOM 132 C SER A 12 2.324 16.427 0.463 1.00 0.00 C ATOM 133 O SER A 12 1.670 15.776 1.271 1.00 0.00 O ATOM 134 CB SER A 12 4.760 16.394 1.147 1.00 0.00 C ATOM 135 OG SER A 12 5.426 17.598 0.809 1.00 0.00 O ATOM 0 H SER A 12 4.907 16.937 -1.337 1.00 0.00 H new ATOM 0 HA SER A 12 3.722 14.853 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.257 16.524 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.500 15.605 1.280 1.00 0.00 H new ATOM 0 HG SER A 12 6.064 17.829 1.516 1.00 0.00 H new ATOM 141 N GLN A 13 1.836 17.517 -0.141 1.00 0.00 N ATOM 142 CA GLN A 13 0.466 17.978 0.058 1.00 0.00 C ATOM 143 C GLN A 13 -0.488 16.956 -0.552 1.00 0.00 C ATOM 144 O GLN A 13 -1.320 16.409 0.161 1.00 0.00 O ATOM 145 CB GLN A 13 0.236 19.378 -0.536 1.00 0.00 C ATOM 146 CG GLN A 13 1.178 20.435 0.051 1.00 0.00 C ATOM 147 CD GLN A 13 0.905 21.820 -0.525 1.00 0.00 C ATOM 148 OE1 GLN A 13 -0.239 22.234 -0.683 1.00 0.00 O ATOM 149 NE2 GLN A 13 1.930 22.576 -0.872 1.00 0.00 N ATOM 0 H GLN A 13 2.381 18.099 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 13 0.276 18.066 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.373 19.336 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.796 19.678 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.063 20.463 1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.211 20.154 -0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.882 22.235 -0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.770 23.501 -1.270 1.00 0.00 H new ATOM 158 N ARG A 14 -0.337 16.656 -1.851 1.00 0.00 N ATOM 159 CA ARG A 14 -1.167 15.678 -2.572 1.00 0.00 C ATOM 160 C ARG A 14 -1.188 14.334 -1.835 1.00 0.00 C ATOM 161 O ARG A 14 -2.233 13.692 -1.774 1.00 0.00 O ATOM 162 CB ARG A 14 -0.660 15.516 -4.025 1.00 0.00 C ATOM 163 CG ARG A 14 -0.839 16.788 -4.880 1.00 0.00 C ATOM 164 CD ARG A 14 -0.083 16.769 -6.226 1.00 0.00 C ATOM 165 NE ARG A 14 -0.585 15.789 -7.214 1.00 0.00 N ATOM 166 CZ ARG A 14 -1.743 15.839 -7.894 1.00 0.00 C ATOM 167 NH1 ARG A 14 -2.629 16.802 -7.688 1.00 0.00 N ATOM 168 NH2 ARG A 14 -2.011 14.912 -8.804 1.00 0.00 N ATOM 0 H ARG A 14 0.374 17.091 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.192 16.048 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.396 15.245 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.192 14.691 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.901 16.931 -5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.503 17.649 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.133 17.764 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.969 16.559 -6.031 1.00 0.00 H new ATOM 0 HE ARG A 14 0.015 14.985 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.440 17.530 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.500 16.816 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.340 14.166 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.889 14.945 -9.323 1.00 0.00 H new ATOM 182 N GLN A 15 -0.050 13.948 -1.254 1.00 0.00 N ATOM 183 CA GLN A 15 0.144 12.721 -0.494 1.00 0.00 C ATOM 184 C GLN A 15 -0.647 12.735 0.818 1.00 0.00 C ATOM 185 O GLN A 15 -1.456 11.855 1.096 1.00 0.00 O ATOM 186 CB GLN A 15 1.651 12.508 -0.244 1.00 0.00 C ATOM 187 CG GLN A 15 2.352 12.005 -1.518 1.00 0.00 C ATOM 188 CD GLN A 15 3.866 12.231 -1.573 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.551 12.462 -0.580 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.450 12.189 -2.760 1.00 0.00 N ATOM 0 H GLN A 15 0.798 14.512 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.240 11.884 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.106 13.444 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.792 11.788 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.158 10.937 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.898 12.496 -2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.896 11.998 -3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.454 12.347 -2.840 1.00 0.00 H new ATOM 199 N ASP A 16 -0.400 13.732 1.661 1.00 0.00 N ATOM 200 CA ASP A 16 -1.022 13.882 2.979 1.00 0.00 C ATOM 201 C ASP A 16 -2.531 14.149 2.855 1.00 0.00 C ATOM 202 O ASP A 16 -3.296 13.896 3.782 1.00 0.00 O ATOM 203 CB ASP A 16 -0.304 15.069 3.633 1.00 0.00 C ATOM 204 CG ASP A 16 -0.543 15.248 5.124 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.661 15.588 5.557 1.00 0.00 O ATOM 206 OD2 ASP A 16 0.468 15.180 5.865 1.00 0.00 O ATOM 0 H ASP A 16 0.257 14.481 1.443 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.927 12.974 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.767 14.957 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.612 15.982 3.123 1.00 0.00 H new ATOM 211 N HIS A 17 -2.990 14.612 1.691 1.00 0.00 N ATOM 212 CA HIS A 17 -4.403 14.713 1.353 1.00 0.00 C ATOM 213 C HIS A 17 -5.059 13.328 1.450 1.00 0.00 C ATOM 214 O HIS A 17 -6.098 13.174 2.104 1.00 0.00 O ATOM 215 CB HIS A 17 -4.552 15.317 -0.057 1.00 0.00 C ATOM 216 CG HIS A 17 -5.747 16.217 -0.228 1.00 0.00 C ATOM 217 ND1 HIS A 17 -5.785 17.345 -1.020 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.976 16.078 0.359 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.012 17.873 -0.921 1.00 0.00 C ATOM 220 NE2 HIS A 17 -7.765 17.147 -0.077 1.00 0.00 N ATOM 0 H HIS A 17 -2.374 14.933 0.944 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.911 15.372 2.058 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.651 15.882 -0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.618 14.505 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.279 15.290 1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.348 18.756 -1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.729 17.339 0.194 1.00 0.00 H new ATOM 228 N GLU A 18 -4.428 12.325 0.826 1.00 0.00 N ATOM 229 CA GLU A 18 -4.887 10.944 0.809 1.00 0.00 C ATOM 230 C GLU A 18 -4.829 10.372 2.231 1.00 0.00 C ATOM 231 O GLU A 18 -5.812 9.812 2.699 1.00 0.00 O ATOM 232 CB GLU A 18 -4.058 10.131 -0.209 1.00 0.00 C ATOM 233 CG GLU A 18 -4.799 8.877 -0.705 1.00 0.00 C ATOM 234 CD GLU A 18 -4.119 8.120 -1.860 1.00 0.00 C ATOM 235 OE1 GLU A 18 -2.904 8.310 -2.122 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.805 7.314 -2.529 1.00 0.00 O ATOM 0 H GLU A 18 -3.561 12.463 0.307 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.925 10.886 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.812 10.765 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.115 9.834 0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.920 8.192 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.799 9.170 -1.024 1.00 0.00 H new ATOM 243 N LEU A 19 -3.727 10.573 2.964 1.00 0.00 N ATOM 244 CA LEU A 19 -3.550 10.207 4.361 1.00 0.00 C ATOM 245 C LEU A 19 -4.698 10.663 5.251 1.00 0.00 C ATOM 246 O LEU A 19 -5.286 9.841 5.949 1.00 0.00 O ATOM 247 CB LEU A 19 -2.237 10.839 4.816 1.00 0.00 C ATOM 248 CG LEU A 19 -0.975 10.141 4.292 1.00 0.00 C ATOM 249 CD1 LEU A 19 -1.035 9.147 3.125 1.00 0.00 C ATOM 250 CD2 LEU A 19 0.315 10.952 4.244 1.00 0.00 C ATOM 0 H LEU A 19 -2.897 11.018 2.572 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.532 9.121 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.220 11.880 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.209 10.841 5.906 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.945 9.486 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.034 8.771 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.687 8.315 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.427 9.648 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.121 10.331 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.177 11.817 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.571 11.289 5.249 1.00 0.00 H new ATOM 262 N GLN A 20 -5.044 11.949 5.219 1.00 0.00 N ATOM 263 CA GLN A 20 -6.143 12.467 6.022 1.00 0.00 C ATOM 264 C GLN A 20 -7.444 11.739 5.679 1.00 0.00 C ATOM 265 O GLN A 20 -8.222 11.402 6.575 1.00 0.00 O ATOM 266 CB GLN A 20 -6.275 13.978 5.804 1.00 0.00 C ATOM 267 CG GLN A 20 -5.137 14.734 6.501 1.00 0.00 C ATOM 268 CD GLN A 20 -5.190 16.235 6.255 1.00 0.00 C ATOM 269 OE1 GLN A 20 -6.248 16.849 6.298 1.00 0.00 O ATOM 270 NE2 GLN A 20 -4.061 16.870 6.021 1.00 0.00 N ATOM 0 H GLN A 20 -4.576 12.650 4.644 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.934 12.289 7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.262 14.198 4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.235 14.322 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.184 14.544 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.181 14.346 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.183 16.353 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.065 17.879 5.874 1.00 0.00 H new ATOM 279 N ALA A 21 -7.677 11.454 4.397 1.00 0.00 N ATOM 280 CA ALA A 21 -8.862 10.733 3.961 1.00 0.00 C ATOM 281 C ALA A 21 -8.845 9.276 4.450 1.00 0.00 C ATOM 282 O ALA A 21 -9.904 8.749 4.794 1.00 0.00 O ATOM 283 CB ALA A 21 -8.983 10.824 2.437 1.00 0.00 C ATOM 0 H ALA A 21 -7.049 11.718 3.638 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.743 11.196 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.871 10.284 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.064 11.870 2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.099 10.384 1.975 1.00 0.00 H new ATOM 289 N LEU A 22 -7.677 8.625 4.504 1.00 0.00 N ATOM 290 CA LEU A 22 -7.517 7.259 5.008 1.00 0.00 C ATOM 291 C LEU A 22 -7.820 7.194 6.509 1.00 0.00 C ATOM 292 O LEU A 22 -8.366 6.190 6.971 1.00 0.00 O ATOM 293 CB LEU A 22 -6.091 6.725 4.738 1.00 0.00 C ATOM 294 CG LEU A 22 -5.748 6.502 3.251 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.231 6.363 3.065 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.436 5.259 2.678 1.00 0.00 C ATOM 0 H LEU A 22 -6.800 9.043 4.192 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.229 6.629 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.371 7.426 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.966 5.782 5.269 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.113 7.375 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.007 6.206 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.737 7.272 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.870 5.512 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.164 5.144 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.117 4.378 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.517 5.370 2.763 1.00 0.00 H new ATOM 308 N GLU A 23 -7.519 8.256 7.262 1.00 0.00 N ATOM 309 CA GLU A 23 -7.744 8.323 8.701 1.00 0.00 C ATOM 310 C GLU A 23 -9.250 8.330 8.991 1.00 0.00 C ATOM 311 O GLU A 23 -9.686 7.811 10.014 1.00 0.00 O ATOM 312 CB GLU A 23 -7.074 9.590 9.271 1.00 0.00 C ATOM 313 CG GLU A 23 -6.924 9.536 10.800 1.00 0.00 C ATOM 314 CD GLU A 23 -6.856 10.929 11.436 1.00 0.00 C ATOM 315 OE1 GLU A 23 -5.752 11.496 11.591 1.00 0.00 O ATOM 316 OE2 GLU A 23 -7.917 11.493 11.800 1.00 0.00 O ATOM 0 H GLU A 23 -7.105 9.106 6.878 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.303 7.449 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.091 9.714 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.664 10.464 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.765 8.988 11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.021 8.981 11.053 1.00 0.00 H new ATOM 323 N ALA A 24 -10.059 8.884 8.085 1.00 0.00 N ATOM 324 CA ALA A 24 -11.504 8.861 8.180 1.00 0.00 C ATOM 325 C ALA A 24 -11.984 7.453 7.839 1.00 0.00 C ATOM 326 O ALA A 24 -12.703 6.823 8.620 1.00 0.00 O ATOM 327 CB ALA A 24 -12.067 9.902 7.209 1.00 0.00 C ATOM 0 H ALA A 24 -9.714 9.367 7.255 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.847 9.108 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.156 9.901 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.691 10.890 7.476 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.756 9.658 6.193 1.00 0.00 H new ATOM 333 N ILE A 25 -11.573 6.965 6.665 1.00 0.00 N ATOM 334 CA ILE A 25 -12.104 5.756 6.052 1.00 0.00 C ATOM 335 C ILE A 25 -11.888 4.562 6.978 1.00 0.00 C ATOM 336 O ILE A 25 -12.839 3.841 7.276 1.00 0.00 O ATOM 337 CB ILE A 25 -11.473 5.547 4.653 1.00 0.00 C ATOM 338 CG1 ILE A 25 -11.933 6.667 3.689 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.745 4.144 4.075 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.142 6.363 2.800 1.00 0.00 C ATOM 0 H ILE A 25 -10.846 7.413 6.107 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.179 5.858 5.905 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.391 5.610 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.162 7.552 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.093 6.925 3.043 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.278 4.058 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.329 3.389 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.820 3.992 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.360 7.228 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.921 5.503 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.007 6.141 3.425 1.00 0.00 H new ATOM 352 N TYR A 26 -10.642 4.348 7.391 1.00 0.00 N ATOM 353 CA TYR A 26 -10.228 3.175 8.141 1.00 0.00 C ATOM 354 C TYR A 26 -10.206 3.494 9.631 1.00 0.00 C ATOM 355 O TYR A 26 -10.708 2.725 10.449 1.00 0.00 O ATOM 356 CB TYR A 26 -8.848 2.740 7.631 1.00 0.00 C ATOM 357 CG TYR A 26 -8.863 2.228 6.198 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.267 0.906 5.931 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.505 3.073 5.128 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.315 0.426 4.612 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.587 2.607 3.801 1.00 0.00 C ATOM 362 CZ TYR A 26 -9.002 1.285 3.538 1.00 0.00 C ATOM 363 OH TYR A 26 -9.147 0.858 2.255 1.00 0.00 O ATOM 0 H TYR A 26 -9.880 5.000 7.208 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.931 2.355 7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.162 3.584 7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.458 1.959 8.283 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.542 0.255 6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.167 4.080 5.326 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.591 -0.600 4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.331 3.264 2.983 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.888 1.576 1.640 1.00 0.00 H new ATOM 373 N GLY A 27 -9.629 4.631 10.017 1.00 0.00 N ATOM 374 CA GLY A 27 -9.346 4.905 11.413 1.00 0.00 C ATOM 375 C GLY A 27 -8.086 4.152 11.804 1.00 0.00 C ATOM 376 O GLY A 27 -7.021 4.770 11.814 1.00 0.00 O ATOM 0 H GLY A 27 -9.350 5.374 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.212 5.975 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.183 4.594 12.038 1.00 0.00 H new ATOM 380 N SER A 28 -8.169 2.858 12.131 1.00 0.00 N ATOM 381 CA SER A 28 -7.080 2.117 12.741 1.00 0.00 C ATOM 382 C SER A 28 -6.609 0.889 11.969 1.00 0.00 C ATOM 383 O SER A 28 -5.562 0.351 12.327 1.00 0.00 O ATOM 384 CB SER A 28 -7.445 1.806 14.191 1.00 0.00 C ATOM 385 OG SER A 28 -7.217 2.969 14.967 1.00 0.00 O ATOM 0 H SER A 28 -9.007 2.297 11.974 1.00 0.00 H new ATOM 0 HA SER A 28 -6.201 2.761 12.711 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.489 1.501 14.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.844 0.977 14.564 1.00 0.00 H new ATOM 0 HG SER A 28 -7.448 2.789 15.902 1.00 0.00 H new ATOM 391 N ASP A 29 -7.258 0.501 10.865 1.00 0.00 N ATOM 392 CA ASP A 29 -6.585 -0.342 9.869 1.00 0.00 C ATOM 393 C ASP A 29 -5.388 0.435 9.312 1.00 0.00 C ATOM 394 O ASP A 29 -4.360 -0.149 8.973 1.00 0.00 O ATOM 395 CB ASP A 29 -7.477 -0.771 8.685 1.00 0.00 C ATOM 396 CG ASP A 29 -8.953 -1.022 8.988 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.617 -0.071 9.456 1.00 0.00 O ATOM 398 OD2 ASP A 29 -9.474 -2.099 8.619 1.00 0.00 O ATOM 0 H ASP A 29 -8.222 0.749 10.641 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.294 -1.257 10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.415 -0.001 7.916 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.059 -1.682 8.258 1.00 0.00 H new ATOM 403 N PHE A 30 -5.540 1.762 9.213 1.00 0.00 N ATOM 404 CA PHE A 30 -4.503 2.734 8.913 1.00 0.00 C ATOM 405 C PHE A 30 -3.648 2.953 10.159 1.00 0.00 C ATOM 406 O PHE A 30 -4.159 3.129 11.271 1.00 0.00 O ATOM 407 CB PHE A 30 -5.177 4.054 8.497 1.00 0.00 C ATOM 408 CG PHE A 30 -4.231 5.163 8.071 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.397 4.977 6.952 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.199 6.391 8.761 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.547 6.007 6.524 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.343 7.423 8.328 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.518 7.238 7.205 1.00 0.00 C ATOM 0 H PHE A 30 -6.449 2.203 9.350 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.866 2.377 8.104 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.863 3.849 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.779 4.414 9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.412 4.037 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.832 6.542 9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.910 5.854 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.321 8.362 8.862 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.869 8.033 6.868 1.00 0.00 H new ATOM 423 N GLN A 31 -2.342 3.037 9.945 1.00 0.00 N ATOM 424 CA GLN A 31 -1.440 3.819 10.730 1.00 0.00 C ATOM 425 C GLN A 31 -0.513 4.518 9.758 1.00 0.00 C ATOM 426 O GLN A 31 0.047 3.887 8.861 1.00 0.00 O ATOM 427 CB GLN A 31 -0.633 2.922 11.676 1.00 0.00 C ATOM 428 CG GLN A 31 -0.549 3.674 12.994 1.00 0.00 C ATOM 429 CD GLN A 31 0.595 3.230 13.898 1.00 0.00 C ATOM 430 OE1 GLN A 31 0.549 2.165 14.521 1.00 0.00 O ATOM 431 NE2 GLN A 31 1.630 4.047 13.994 1.00 0.00 N ATOM 0 H GLN A 31 -1.879 2.537 9.186 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.983 4.537 11.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.120 1.956 11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.361 2.726 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.439 4.738 12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.490 3.550 13.530 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.641 4.921 13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.418 3.804 14.595 1.00 0.00 H new ATOM 440 N ASP A 32 -0.320 5.811 9.936 1.00 0.00 N ATOM 441 CA ASP A 32 0.880 6.468 9.473 1.00 0.00 C ATOM 442 C ASP A 32 2.030 6.116 10.426 1.00 0.00 C ATOM 443 O ASP A 32 1.812 5.806 11.602 1.00 0.00 O ATOM 444 CB ASP A 32 0.616 7.968 9.380 1.00 0.00 C ATOM 445 CG ASP A 32 1.270 8.757 10.504 1.00 0.00 C ATOM 446 OD1 ASP A 32 2.458 9.119 10.383 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.550 9.195 11.423 1.00 0.00 O ATOM 0 H ASP A 32 -0.986 6.428 10.402 1.00 0.00 H new ATOM 0 HA ASP A 32 1.168 6.130 8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.983 8.337 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.460 8.144 9.398 1.00 0.00 H new ATOM 452 N LEU A 33 3.258 6.171 9.910 1.00 0.00 N ATOM 453 CA LEU A 33 4.482 5.763 10.595 1.00 0.00 C ATOM 454 C LEU A 33 5.548 6.871 10.506 1.00 0.00 C ATOM 455 O LEU A 33 6.739 6.615 10.719 1.00 0.00 O ATOM 456 CB LEU A 33 5.010 4.459 9.961 1.00 0.00 C ATOM 457 CG LEU A 33 4.008 3.298 9.795 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.709 2.179 9.023 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.495 2.739 11.127 1.00 0.00 C ATOM 0 H LEU A 33 3.433 6.515 8.966 1.00 0.00 H new ATOM 0 HA LEU A 33 4.261 5.590 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.412 4.701 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.843 4.102 10.567 1.00 0.00 H new ATOM 0 HG LEU A 33 3.138 3.685 9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.022 1.343 8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.021 2.550 8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.584 1.845 9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.795 1.926 10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.335 2.364 11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.990 3.529 11.683 1.00 0.00 H new ATOM 641 N PRO A 44 9.599 10.334 3.206 1.00 0.00 N ATOM 642 CA PRO A 44 8.526 9.508 2.670 1.00 0.00 C ATOM 643 C PRO A 44 7.380 9.336 3.684 1.00 0.00 C ATOM 644 O PRO A 44 7.668 8.977 4.834 1.00 0.00 O ATOM 645 CB PRO A 44 9.159 8.162 2.296 1.00 0.00 C ATOM 646 CG PRO A 44 10.661 8.415 2.264 1.00 0.00 C ATOM 647 CD PRO A 44 10.867 9.620 3.168 1.00 0.00 C ATOM 0 HA PRO A 44 8.074 9.979 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.906 7.393 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.799 7.814 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.216 7.549 2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.008 8.616 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.165 9.307 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.661 10.261 2.784 1.00 0.00 H new ATOM 655 N PRO A 45 6.112 9.582 3.295 1.00 0.00 N ATOM 656 CA PRO A 45 4.939 9.277 4.105 1.00 0.00 C ATOM 657 C PRO A 45 4.775 7.759 4.204 1.00 0.00 C ATOM 658 O PRO A 45 3.990 7.160 3.462 1.00 0.00 O ATOM 659 CB PRO A 45 3.760 9.954 3.403 1.00 0.00 C ATOM 660 CG PRO A 45 4.179 9.975 1.938 1.00 0.00 C ATOM 661 CD PRO A 45 5.693 10.133 2.009 1.00 0.00 C ATOM 0 HA PRO A 45 5.018 9.644 5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.834 9.397 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.590 10.960 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.894 9.057 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.713 10.799 1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.176 9.606 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.977 11.182 1.926 1.00 0.00 H new ATOM 669 N GLU A 46 5.531 7.120 5.095 1.00 0.00 N ATOM 670 CA GLU A 46 5.379 5.690 5.297 1.00 0.00 C ATOM 671 C GLU A 46 4.097 5.435 6.087 1.00 0.00 C ATOM 672 O GLU A 46 3.840 6.100 7.096 1.00 0.00 O ATOM 673 CB GLU A 46 6.628 5.034 5.902 1.00 0.00 C ATOM 674 CG GLU A 46 6.655 3.547 5.502 1.00 0.00 C ATOM 675 CD GLU A 46 7.957 2.843 5.883 1.00 0.00 C ATOM 676 OE1 GLU A 46 8.978 3.061 5.187 1.00 0.00 O ATOM 677 OE2 GLU A 46 7.947 2.030 6.835 1.00 0.00 O ATOM 0 H GLU A 46 6.241 7.564 5.677 1.00 0.00 H new ATOM 0 HA GLU A 46 5.280 5.200 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.527 5.536 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.617 5.132 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.820 3.034 5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.507 3.465 4.425 1.00 0.00 H new ATOM 684 N ILE A 47 3.279 4.502 5.601 1.00 0.00 N ATOM 685 CA ILE A 47 2.023 4.095 6.217 1.00 0.00 C ATOM 686 C ILE A 47 1.953 2.569 6.241 1.00 0.00 C ATOM 687 O ILE A 47 2.702 1.879 5.535 1.00 0.00 O ATOM 688 CB ILE A 47 0.797 4.716 5.501 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.526 4.076 4.115 1.00 0.00 C ATOM 690 CG2 ILE A 47 0.928 6.247 5.361 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.758 3.240 4.123 1.00 0.00 C ATOM 0 H ILE A 47 3.482 3.994 4.740 1.00 0.00 H new ATOM 0 HA ILE A 47 1.993 4.470 7.240 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.059 4.498 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.447 4.859 3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.370 3.446 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.048 6.643 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.010 6.697 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.819 6.484 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.916 2.807 3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.668 2.441 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.605 3.876 4.380 1.00 0.00 H new ATOM 703 N ASN A 48 1.000 2.059 7.010 1.00 0.00 N ATOM 704 CA ASN A 48 0.625 0.678 7.164 1.00 0.00 C ATOM 705 C ASN A 48 -0.896 0.607 7.025 1.00 0.00 C ATOM 706 O ASN A 48 -1.586 1.396 7.671 1.00 0.00 O ATOM 707 CB ASN A 48 1.058 0.262 8.570 1.00 0.00 C ATOM 708 CG ASN A 48 0.693 -1.174 8.848 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.469 -2.062 8.511 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.455 -1.410 9.456 1.00 0.00 N ATOM 0 H ASN A 48 0.422 2.666 7.591 1.00 0.00 H new ATOM 0 HA ASN A 48 1.086 0.022 6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.135 0.394 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.583 0.910 9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.733 -2.369 9.667 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.064 -0.634 9.715 1.00 0.00 H new ATOM 717 N LEU A 49 -1.422 -0.292 6.192 1.00 0.00 N ATOM 718 CA LEU A 49 -2.850 -0.559 6.048 1.00 0.00 C ATOM 719 C LEU A 49 -3.080 -2.055 6.208 1.00 0.00 C ATOM 720 O LEU A 49 -2.597 -2.839 5.391 1.00 0.00 O ATOM 721 CB LEU A 49 -3.378 -0.050 4.691 1.00 0.00 C ATOM 722 CG LEU A 49 -3.849 1.412 4.742 1.00 0.00 C ATOM 723 CD1 LEU A 49 -4.013 1.989 3.330 1.00 0.00 C ATOM 724 CD2 LEU A 49 -5.188 1.532 5.475 1.00 0.00 C ATOM 0 H LEU A 49 -0.846 -0.871 5.581 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.403 -0.023 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.592 -0.147 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.206 -0.682 4.369 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.085 1.974 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.347 3.024 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.057 1.949 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.751 1.404 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.498 2.577 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.942 0.940 4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.078 1.165 6.495 1.00 0.00 H new ATOM 736 N VAL A 50 -3.776 -2.464 7.265 1.00 0.00 N ATOM 737 CA VAL A 50 -4.226 -3.841 7.457 1.00 0.00 C ATOM 738 C VAL A 50 -5.359 -4.106 6.461 1.00 0.00 C ATOM 739 O VAL A 50 -6.302 -3.313 6.375 1.00 0.00 O ATOM 740 CB VAL A 50 -4.690 -4.048 8.913 1.00 0.00 C ATOM 741 CG1 VAL A 50 -5.042 -5.521 9.153 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.595 -3.640 9.915 1.00 0.00 C ATOM 0 H VAL A 50 -4.048 -1.839 8.024 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.414 -4.545 7.277 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.567 -3.419 9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.368 -5.654 10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.844 -5.818 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.164 -6.140 8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.955 -3.798 10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.704 -4.245 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.350 -2.587 9.777 1.00 0.00 H new ATOM 752 N LEU A 51 -5.272 -5.186 5.674 1.00 0.00 N ATOM 753 CA LEU A 51 -6.277 -5.509 4.665 1.00 0.00 C ATOM 754 C LEU A 51 -6.587 -7.004 4.724 1.00 0.00 C ATOM 755 O LEU A 51 -5.708 -7.815 5.033 1.00 0.00 O ATOM 756 CB LEU A 51 -5.760 -5.078 3.283 1.00 0.00 C ATOM 757 CG LEU A 51 -5.520 -3.555 3.152 1.00 0.00 C ATOM 758 CD1 LEU A 51 -4.711 -3.257 1.893 1.00 0.00 C ATOM 759 CD2 LEU A 51 -6.823 -2.754 3.096 1.00 0.00 C ATOM 0 H LEU A 51 -4.504 -5.856 5.722 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.205 -4.970 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.827 -5.602 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.477 -5.390 2.524 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.973 -3.250 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.548 -2.182 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.749 -3.767 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.257 -3.609 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.594 -1.692 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.410 -3.074 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.394 -2.924 4.009 1.00 0.00 H new ATOM 771 N TYR A 52 -7.837 -7.353 4.416 1.00 0.00 N ATOM 772 CA TYR A 52 -8.469 -8.626 4.751 1.00 0.00 C ATOM 773 C TYR A 52 -9.310 -9.146 3.560 1.00 0.00 C ATOM 774 O TYR A 52 -9.528 -8.402 2.603 1.00 0.00 O ATOM 775 CB TYR A 52 -9.362 -8.370 5.973 1.00 0.00 C ATOM 776 CG TYR A 52 -8.680 -7.978 7.273 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.017 -8.961 8.025 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.856 -6.689 7.822 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.600 -8.695 9.335 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.429 -6.410 9.133 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.813 -7.427 9.901 1.00 0.00 C ATOM 782 OH TYR A 52 -7.414 -7.213 11.180 1.00 0.00 O ATOM 0 H TYR A 52 -8.461 -6.729 3.905 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.720 -9.387 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.069 -7.582 5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.945 -9.272 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.827 -9.931 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.321 -5.913 7.232 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.113 -9.467 9.912 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.571 -5.425 9.552 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.624 -6.291 11.438 1.00 0.00 H new ATOM 792 N PRO A 53 -9.773 -10.411 3.560 1.00 0.00 N ATOM 793 CA PRO A 53 -10.777 -10.913 2.638 1.00 0.00 C ATOM 794 C PRO A 53 -12.171 -10.477 3.097 1.00 0.00 C ATOM 795 O PRO A 53 -12.638 -10.898 4.156 1.00 0.00 O ATOM 796 CB PRO A 53 -10.648 -12.435 2.685 1.00 0.00 C ATOM 797 CG PRO A 53 -10.027 -12.752 4.024 1.00 0.00 C ATOM 798 CD PRO A 53 -9.497 -11.424 4.554 1.00 0.00 C ATOM 0 HA PRO A 53 -10.636 -10.530 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.622 -12.914 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.025 -12.800 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.762 -13.181 4.705 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.224 -13.482 3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.976 -11.172 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.426 -11.489 4.746 1.00 0.00 H new ATOM 896 N VAL A 61 -11.088 -14.600 10.118 1.00 0.00 N ATOM 897 CA VAL A 61 -10.306 -14.362 8.902 1.00 0.00 C ATOM 898 C VAL A 61 -9.227 -15.452 8.753 1.00 0.00 C ATOM 899 O VAL A 61 -9.016 -16.300 9.626 1.00 0.00 O ATOM 900 CB VAL A 61 -9.799 -12.894 8.921 1.00 0.00 C ATOM 901 CG1 VAL A 61 -9.234 -12.510 7.561 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.933 -11.913 9.269 1.00 0.00 C ATOM 0 HA VAL A 61 -10.905 -14.454 7.996 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.023 -12.832 9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.883 -11.478 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.402 -13.169 7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.012 -12.607 6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.544 -10.895 9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.726 -11.995 8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.333 -12.153 10.254 1.00 0.00 H new ATOM 912 N TYR A 62 -8.637 -15.537 7.565 1.00 0.00 N ATOM 913 CA TYR A 62 -7.829 -16.663 7.117 1.00 0.00 C ATOM 914 C TYR A 62 -6.522 -16.060 6.613 1.00 0.00 C ATOM 915 O TYR A 62 -5.535 -15.978 7.341 1.00 0.00 O ATOM 916 CB TYR A 62 -8.575 -17.442 6.012 1.00 0.00 C ATOM 917 CG TYR A 62 -9.659 -18.447 6.395 1.00 0.00 C ATOM 918 CD1 TYR A 62 -10.706 -18.146 7.294 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.670 -19.695 5.740 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.718 -19.086 7.567 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.668 -20.641 6.011 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.696 -20.347 6.927 1.00 0.00 C ATOM 923 OH TYR A 62 -12.622 -21.308 7.193 1.00 0.00 O ATOM 0 H TYR A 62 -8.711 -14.799 6.865 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.634 -17.380 7.914 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.031 -16.708 5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.826 -17.977 5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.731 -17.181 7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.899 -19.925 5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.508 -18.845 8.263 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.648 -21.600 5.515 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.435 -22.102 6.650 1.00 0.00 H new ATOM 933 N VAL A 63 -6.535 -15.557 5.380 1.00 0.00 N ATOM 934 CA VAL A 63 -5.439 -14.783 4.837 1.00 0.00 C ATOM 935 C VAL A 63 -5.595 -13.344 5.322 1.00 0.00 C ATOM 936 O VAL A 63 -6.712 -12.862 5.485 1.00 0.00 O ATOM 937 CB VAL A 63 -5.428 -14.867 3.297 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.029 -16.256 2.798 1.00 0.00 C ATOM 939 CG2 VAL A 63 -6.792 -14.545 2.686 1.00 0.00 C ATOM 0 H VAL A 63 -7.314 -15.680 4.733 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.483 -15.179 5.180 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.693 -14.126 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.035 -16.267 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.029 -16.498 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.738 -16.995 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.731 -14.618 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.533 -15.254 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.086 -13.533 2.965 1.00 0.00 H new ATOM 949 N GLN A 64 -4.489 -12.632 5.479 1.00 0.00 N ATOM 950 CA GLN A 64 -4.428 -11.175 5.508 1.00 0.00 C ATOM 951 C GLN A 64 -2.996 -10.792 5.159 1.00 0.00 C ATOM 952 O GLN A 64 -2.095 -11.636 5.247 1.00 0.00 O ATOM 953 CB GLN A 64 -4.850 -10.583 6.869 1.00 0.00 C ATOM 954 CG GLN A 64 -4.042 -11.086 8.071 1.00 0.00 C ATOM 955 CD GLN A 64 -4.294 -10.258 9.329 1.00 0.00 C ATOM 956 OE1 GLN A 64 -5.066 -10.647 10.194 1.00 0.00 O ATOM 957 NE2 GLN A 64 -3.598 -9.147 9.510 1.00 0.00 N ATOM 0 H GLN A 64 -3.574 -13.068 5.594 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.137 -10.762 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.762 -9.498 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.903 -10.810 7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.298 -12.127 8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.980 -11.059 7.828 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.955 -8.825 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.705 -8.613 10.373 1.00 0.00 H new ATOM 966 N VAL A 65 -2.759 -9.533 4.803 1.00 0.00 N ATOM 967 CA VAL A 65 -1.421 -8.973 4.864 1.00 0.00 C ATOM 968 C VAL A 65 -1.550 -7.484 5.185 1.00 0.00 C ATOM 969 O VAL A 65 -2.562 -6.861 4.847 1.00 0.00 O ATOM 970 CB VAL A 65 -0.653 -9.324 3.566 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.027 -8.474 2.351 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.856 -9.237 3.765 1.00 0.00 C ATOM 0 H VAL A 65 -3.475 -8.887 4.471 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.814 -9.403 5.661 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.957 -10.349 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.439 -8.792 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.087 -8.599 2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.821 -7.425 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.361 -9.490 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.126 -8.223 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.161 -9.936 4.544 1.00 0.00 H new ATOM 982 N GLU A 66 -0.533 -6.904 5.815 1.00 0.00 N ATOM 983 CA GLU A 66 -0.416 -5.460 5.916 1.00 0.00 C ATOM 984 C GLU A 66 0.190 -4.945 4.618 1.00 0.00 C ATOM 985 O GLU A 66 1.086 -5.572 4.051 1.00 0.00 O ATOM 986 CB GLU A 66 0.462 -5.092 7.118 1.00 0.00 C ATOM 987 CG GLU A 66 -0.415 -5.014 8.370 1.00 0.00 C ATOM 988 CD GLU A 66 0.363 -4.733 9.655 1.00 0.00 C ATOM 989 OE1 GLU A 66 1.513 -5.206 9.809 1.00 0.00 O ATOM 990 OE2 GLU A 66 -0.200 -4.091 10.572 1.00 0.00 O ATOM 0 H GLU A 66 0.224 -7.419 6.264 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.394 -5.003 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.246 -5.837 7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.957 -4.136 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.161 -4.232 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.955 -5.954 8.482 1.00 0.00 H new ATOM 997 N LEU A 67 -0.257 -3.784 4.159 1.00 0.00 N ATOM 998 CA LEU A 67 0.248 -3.039 3.030 1.00 0.00 C ATOM 999 C LEU A 67 1.151 -1.938 3.590 1.00 0.00 C ATOM 1000 O LEU A 67 0.683 -1.100 4.358 1.00 0.00 O ATOM 1001 CB LEU A 67 -0.987 -2.484 2.307 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.636 -1.608 1.098 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.262 -2.138 -0.199 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.124 -0.178 1.322 1.00 0.00 C ATOM 0 H LEU A 67 -1.042 -3.309 4.605 1.00 0.00 H new ATOM 0 HA LEU A 67 0.835 -3.627 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.611 -3.315 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.580 -1.900 3.011 1.00 0.00 H new ATOM 0 HG LEU A 67 0.449 -1.630 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.987 -1.487 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.897 -3.147 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.347 -2.158 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.869 0.433 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.205 -0.180 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.647 0.234 2.211 1.00 0.00 H new ATOM 1016 N ARG A 68 2.437 -1.953 3.237 1.00 0.00 N ATOM 1017 CA ARG A 68 3.442 -0.961 3.608 1.00 0.00 C ATOM 1018 C ARG A 68 3.787 -0.214 2.352 1.00 0.00 C ATOM 1019 O ARG A 68 4.043 -0.822 1.311 1.00 0.00 O ATOM 1020 CB ARG A 68 4.731 -1.595 4.157 1.00 0.00 C ATOM 1021 CG ARG A 68 4.733 -1.645 5.686 1.00 0.00 C ATOM 1022 CD ARG A 68 5.213 -0.326 6.315 1.00 0.00 C ATOM 1023 NE ARG A 68 6.039 -0.544 7.510 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.682 -1.167 8.640 1.00 0.00 C ATOM 1025 NH1 ARG A 68 4.423 -1.533 8.871 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.606 -1.438 9.547 1.00 0.00 N ATOM 0 H ARG A 68 2.823 -2.696 2.655 1.00 0.00 H new ATOM 0 HA ARG A 68 3.035 -0.324 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.837 -2.605 3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.593 -1.024 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.727 -1.869 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.377 -2.459 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.786 0.237 5.578 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.349 0.283 6.580 1.00 0.00 H new ATOM 0 HE ARG A 68 6.991 -0.180 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.700 -1.340 8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.181 -2.006 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.577 -1.173 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.348 -1.912 10.412 1.00 0.00 H new ATOM 1040 N VAL A 69 3.785 1.102 2.462 1.00 0.00 N ATOM 1041 CA VAL A 69 4.006 1.989 1.335 1.00 0.00 C ATOM 1042 C VAL A 69 4.703 3.223 1.869 1.00 0.00 C ATOM 1043 O VAL A 69 4.328 3.724 2.925 1.00 0.00 O ATOM 1044 CB VAL A 69 2.656 2.335 0.686 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.803 3.391 -0.418 1.00 0.00 C ATOM 1046 CG2 VAL A 69 2.001 1.075 0.104 1.00 0.00 C ATOM 0 H VAL A 69 3.628 1.589 3.344 1.00 0.00 H new ATOM 0 HA VAL A 69 4.625 1.524 0.568 1.00 0.00 H new ATOM 0 HB VAL A 69 2.022 2.750 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.825 3.605 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.221 4.304 0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.468 3.014 -1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.046 1.338 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.656 0.640 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.835 0.350 0.901 1.00 0.00 H new ATOM 1056 N LYS A 70 5.699 3.705 1.122 1.00 0.00 N ATOM 1057 CA LYS A 70 6.531 4.855 1.473 1.00 0.00 C ATOM 1058 C LYS A 70 6.258 6.089 0.613 1.00 0.00 C ATOM 1059 O LYS A 70 6.450 7.197 1.091 1.00 0.00 O ATOM 1060 CB LYS A 70 8.013 4.453 1.385 1.00 0.00 C ATOM 1061 CG LYS A 70 8.416 3.912 -0.006 1.00 0.00 C ATOM 1062 CD LYS A 70 9.923 3.735 -0.182 1.00 0.00 C ATOM 1063 CE LYS A 70 10.635 5.092 -0.139 1.00 0.00 C ATOM 1064 NZ LYS A 70 12.055 4.979 -0.517 1.00 0.00 N ATOM 0 H LYS A 70 5.956 3.290 0.226 1.00 0.00 H new ATOM 0 HA LYS A 70 6.275 5.141 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.632 5.318 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.222 3.693 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.925 2.953 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.047 4.594 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.313 3.089 0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.128 3.241 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.134 5.787 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.558 5.511 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.501 5.918 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.539 4.336 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.128 4.604 -1.484 1.00 0.00 H new ATOM 1078 N CYS A 71 5.831 5.889 -0.639 1.00 0.00 N ATOM 1079 CA CYS A 71 5.831 6.838 -1.758 1.00 0.00 C ATOM 1080 C CYS A 71 7.234 7.393 -2.106 1.00 0.00 C ATOM 1081 O CYS A 71 7.998 7.761 -1.210 1.00 0.00 O ATOM 1082 CB CYS A 71 4.869 8.003 -1.489 1.00 0.00 C ATOM 1083 SG CYS A 71 3.272 7.417 -0.864 1.00 0.00 S ATOM 0 H CYS A 71 5.446 4.987 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 71 5.492 6.267 -2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.316 8.685 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.716 8.569 -2.408 1.00 0.00 H new ATOM 0 HG CYS A 71 2.491 8.434 -0.648 1.00 0.00 H new ATOM 1089 N PRO A 72 7.587 7.547 -3.396 1.00 0.00 N ATOM 1090 CA PRO A 72 8.667 8.442 -3.801 1.00 0.00 C ATOM 1091 C PRO A 72 8.286 9.908 -3.550 1.00 0.00 C ATOM 1092 O PRO A 72 7.099 10.232 -3.426 1.00 0.00 O ATOM 1093 CB PRO A 72 8.907 8.189 -5.292 1.00 0.00 C ATOM 1094 CG PRO A 72 7.611 7.554 -5.785 1.00 0.00 C ATOM 1095 CD PRO A 72 7.016 6.879 -4.551 1.00 0.00 C ATOM 0 HA PRO A 72 9.570 8.250 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.121 9.117 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.759 7.527 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.933 8.304 -6.192 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.801 6.831 -6.579 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.929 6.964 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.253 5.815 -4.539 1.00 0.00 H new ATOM 1103 N PRO A 73 9.264 10.831 -3.565 1.00 0.00 N ATOM 1104 CA PRO A 73 9.035 12.246 -3.274 1.00 0.00 C ATOM 1105 C PRO A 73 8.269 12.972 -4.393 1.00 0.00 C ATOM 1106 O PRO A 73 8.081 14.186 -4.313 1.00 0.00 O ATOM 1107 CB PRO A 73 10.431 12.830 -3.022 1.00 0.00 C ATOM 1108 CG PRO A 73 11.344 11.951 -3.874 1.00 0.00 C ATOM 1109 CD PRO A 73 10.681 10.577 -3.796 1.00 0.00 C ATOM 0 HA PRO A 73 8.388 12.377 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.488 13.877 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 73 10.701 12.785 -1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.405 12.311 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.361 11.930 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.832 10.017 -4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.108 9.982 -2.989 1.00 0.00 H new ATOM 1117 N THR A 74 7.833 12.254 -5.430 1.00 0.00 N ATOM 1118 CA THR A 74 7.148 12.764 -6.606 1.00 0.00 C ATOM 1119 C THR A 74 5.804 12.071 -6.844 1.00 0.00 C ATOM 1120 O THR A 74 5.077 12.466 -7.748 1.00 0.00 O ATOM 1121 CB THR A 74 8.075 12.604 -7.816 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.535 11.265 -7.883 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.306 13.498 -7.687 1.00 0.00 C ATOM 0 H THR A 74 7.959 11.243 -5.468 1.00 0.00 H new ATOM 0 HA THR A 74 6.918 13.818 -6.448 1.00 0.00 H new ATOM 0 HB THR A 74 7.509 12.878 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.127 11.161 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.946 13.364 -8.559 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.994 14.540 -7.623 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.858 13.229 -6.787 1.00 0.00 H new ATOM 1131 N TYR A 75 5.429 11.052 -6.060 1.00 0.00 N ATOM 1132 CA TYR A 75 4.128 10.396 -6.212 1.00 0.00 C ATOM 1133 C TYR A 75 3.017 11.463 -6.181 1.00 0.00 C ATOM 1134 O TYR A 75 3.119 12.380 -5.354 1.00 0.00 O ATOM 1135 CB TYR A 75 3.968 9.360 -5.087 1.00 0.00 C ATOM 1136 CG TYR A 75 2.552 8.882 -4.819 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.630 9.742 -4.196 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.145 7.584 -5.171 1.00 0.00 C ATOM 1139 CE1 TYR A 75 0.299 9.357 -4.003 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.829 7.173 -4.901 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.119 8.060 -4.353 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.400 7.635 -4.178 1.00 0.00 O ATOM 0 H TYR A 75 6.009 10.666 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 75 4.058 9.875 -7.167 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.583 8.493 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.366 9.788 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.955 10.716 -3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.839 6.907 -5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.409 10.057 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.538 6.156 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.871 8.253 -3.580 1.00 0.00 H new ATOM 1152 N PRO A 76 1.937 11.350 -6.982 1.00 0.00 N ATOM 1153 CA PRO A 76 1.632 10.281 -7.940 1.00 0.00 C ATOM 1154 C PRO A 76 2.187 10.510 -9.367 1.00 0.00 C ATOM 1155 O PRO A 76 1.782 9.793 -10.287 1.00 0.00 O ATOM 1156 CB PRO A 76 0.101 10.197 -7.924 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.321 11.648 -7.717 1.00 0.00 C ATOM 1158 CD PRO A 76 0.765 12.195 -6.793 1.00 0.00 C ATOM 0 HA PRO A 76 2.121 9.352 -7.648 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.291 9.792 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.259 9.554 -7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.362 12.194 -8.659 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.310 11.720 -7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.993 13.233 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.436 12.175 -5.754 1.00 0.00 H new ATOM 1166 N ASP A 77 3.112 11.465 -9.574 1.00 0.00 N ATOM 1167 CA ASP A 77 3.798 11.702 -10.864 1.00 0.00 C ATOM 1168 C ASP A 77 4.518 10.441 -11.345 1.00 0.00 C ATOM 1169 O ASP A 77 4.671 10.223 -12.547 1.00 0.00 O ATOM 1170 CB ASP A 77 4.823 12.843 -10.730 1.00 0.00 C ATOM 1171 CG ASP A 77 5.435 13.331 -12.047 1.00 0.00 C ATOM 1172 OD1 ASP A 77 4.861 14.265 -12.659 1.00 0.00 O ATOM 1173 OD2 ASP A 77 6.547 12.869 -12.402 1.00 0.00 O ATOM 0 H ASP A 77 3.411 12.106 -8.839 1.00 0.00 H new ATOM 0 HA ASP A 77 3.036 11.978 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.340 13.687 -10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.629 12.511 -10.075 1.00 0.00 H new ATOM 1178 N VAL A 78 4.910 9.576 -10.412 1.00 0.00 N ATOM 1179 CA VAL A 78 5.334 8.213 -10.669 1.00 0.00 C ATOM 1180 C VAL A 78 4.696 7.306 -9.631 1.00 0.00 C ATOM 1181 O VAL A 78 4.072 7.738 -8.657 1.00 0.00 O ATOM 1182 CB VAL A 78 6.870 8.138 -10.718 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.515 8.392 -9.349 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.434 6.851 -11.331 1.00 0.00 C ATOM 0 H VAL A 78 4.940 9.820 -9.422 1.00 0.00 H new ATOM 0 HA VAL A 78 4.997 7.867 -11.646 1.00 0.00 H new ATOM 0 HB VAL A 78 7.142 8.947 -11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.599 8.327 -9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.239 9.385 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.165 7.644 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.523 6.891 -11.322 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.097 5.993 -10.749 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.083 6.753 -12.358 1.00 0.00 H new ATOM 1194 N VAL A 79 4.859 6.024 -9.897 1.00 0.00 N ATOM 1195 CA VAL A 79 4.283 4.935 -9.134 1.00 0.00 C ATOM 1196 C VAL A 79 4.907 4.843 -7.735 1.00 0.00 C ATOM 1197 O VAL A 79 6.116 5.044 -7.584 1.00 0.00 O ATOM 1198 CB VAL A 79 4.446 3.616 -9.907 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.440 3.565 -11.053 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.838 3.386 -10.516 1.00 0.00 C ATOM 0 H VAL A 79 5.421 5.700 -10.685 1.00 0.00 H new ATOM 0 HA VAL A 79 3.219 5.129 -8.996 1.00 0.00 H new ATOM 0 HB VAL A 79 4.284 2.837 -9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.558 2.629 -11.599 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.428 3.626 -10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.614 4.403 -11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.853 2.430 -11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.065 4.188 -11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.585 3.376 -9.722 1.00 0.00 H new ATOM 1210 N PRO A 80 4.124 4.496 -6.701 1.00 0.00 N ATOM 1211 CA PRO A 80 4.654 4.182 -5.383 1.00 0.00 C ATOM 1212 C PRO A 80 5.266 2.781 -5.344 1.00 0.00 C ATOM 1213 O PRO A 80 5.002 1.943 -6.206 1.00 0.00 O ATOM 1214 CB PRO A 80 3.457 4.279 -4.443 1.00 0.00 C ATOM 1215 CG PRO A 80 2.292 3.850 -5.334 1.00 0.00 C ATOM 1216 CD PRO A 80 2.681 4.323 -6.729 1.00 0.00 C ATOM 0 HA PRO A 80 5.456 4.864 -5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.567 3.624 -3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.323 5.291 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.149 2.770 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.356 4.303 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.389 3.594 -7.485 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.180 5.258 -6.979 1.00 0.00 H new ATOM 1224 N GLU A 81 6.043 2.516 -4.297 1.00 0.00 N ATOM 1225 CA GLU A 81 6.431 1.165 -3.914 1.00 0.00 C ATOM 1226 C GLU A 81 5.284 0.509 -3.152 1.00 0.00 C ATOM 1227 O GLU A 81 4.367 1.182 -2.661 1.00 0.00 O ATOM 1228 CB GLU A 81 7.675 1.219 -3.021 1.00 0.00 C ATOM 1229 CG GLU A 81 8.927 1.565 -3.829 1.00 0.00 C ATOM 1230 CD GLU A 81 9.469 0.427 -4.701 1.00 0.00 C ATOM 1231 OE1 GLU A 81 8.926 -0.698 -4.707 1.00 0.00 O ATOM 1232 OE2 GLU A 81 10.537 0.639 -5.334 1.00 0.00 O ATOM 0 H GLU A 81 6.423 3.240 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 81 6.656 0.584 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.530 1.962 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.813 0.257 -2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.704 2.419 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.711 1.880 -3.140 1.00 0.00 H new ATOM 1239 N ILE A 82 5.360 -0.813 -3.035 1.00 0.00 N ATOM 1240 CA ILE A 82 4.361 -1.677 -2.422 1.00 0.00 C ATOM 1241 C ILE A 82 5.148 -2.788 -1.716 1.00 0.00 C ATOM 1242 O ILE A 82 5.922 -3.491 -2.371 1.00 0.00 O ATOM 1243 CB ILE A 82 3.441 -2.257 -3.528 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.635 -1.216 -4.350 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.438 -3.267 -2.951 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.539 -1.594 -5.831 1.00 0.00 C ATOM 0 H ILE A 82 6.163 -1.336 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 82 3.724 -1.146 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 82 4.148 -2.729 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.631 -1.126 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.107 -0.238 -4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.809 -3.654 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.979 -4.091 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.814 -2.774 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.966 -0.835 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.541 -1.657 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.042 -2.559 -5.929 1.00 0.00 H new ATOM 1258 N ASP A 83 4.953 -2.983 -0.409 1.00 0.00 N ATOM 1259 CA ASP A 83 5.479 -4.157 0.288 1.00 0.00 C ATOM 1260 C ASP A 83 4.457 -4.758 1.245 1.00 0.00 C ATOM 1261 O ASP A 83 3.697 -4.029 1.883 1.00 0.00 O ATOM 1262 CB ASP A 83 6.807 -3.892 1.005 1.00 0.00 C ATOM 1263 CG ASP A 83 7.707 -5.103 0.790 1.00 0.00 C ATOM 1264 OD1 ASP A 83 7.268 -6.245 1.047 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.822 -4.968 0.233 1.00 0.00 O ATOM 0 H ASP A 83 4.433 -2.340 0.188 1.00 0.00 H new ATOM 0 HA ASP A 83 5.685 -4.889 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.279 -2.992 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.639 -3.726 2.069 1.00 0.00 H new ATOM 1270 N LEU A 84 4.410 -6.089 1.338 1.00 0.00 N ATOM 1271 CA LEU A 84 3.321 -6.836 1.954 1.00 0.00 C ATOM 1272 C LEU A 84 3.928 -7.692 3.058 1.00 0.00 C ATOM 1273 O LEU A 84 4.553 -8.727 2.809 1.00 0.00 O ATOM 1274 CB LEU A 84 2.550 -7.665 0.904 1.00 0.00 C ATOM 1275 CG LEU A 84 1.428 -6.953 0.125 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.727 -5.516 -0.286 1.00 0.00 C ATOM 1277 CD2 LEU A 84 1.067 -7.763 -1.124 1.00 0.00 C ATOM 0 H LEU A 84 5.151 -6.689 0.976 1.00 0.00 H new ATOM 0 HA LEU A 84 2.580 -6.164 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.271 -8.048 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.115 -8.528 1.409 1.00 0.00 H new ATOM 0 HG LEU A 84 0.595 -6.895 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.874 -5.108 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.914 -4.914 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.608 -5.497 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.273 -7.254 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.945 -7.857 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.726 -8.755 -0.828 1.00 0.00 H new ATOM 1289 N LYS A 85 3.734 -7.253 4.298 1.00 0.00 N ATOM 1290 CA LYS A 85 4.396 -7.765 5.497 1.00 0.00 C ATOM 1291 C LYS A 85 3.376 -8.391 6.442 1.00 0.00 C ATOM 1292 O LYS A 85 2.172 -8.142 6.339 1.00 0.00 O ATOM 1293 CB LYS A 85 5.143 -6.627 6.214 1.00 0.00 C ATOM 1294 CG LYS A 85 6.279 -5.956 5.415 1.00 0.00 C ATOM 1295 CD LYS A 85 7.488 -6.893 5.290 1.00 0.00 C ATOM 1296 CE LYS A 85 8.701 -6.123 4.766 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.919 -6.958 4.751 1.00 0.00 N ATOM 0 H LYS A 85 3.082 -6.497 4.505 1.00 0.00 H new ATOM 0 HA LYS A 85 5.112 -8.530 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.418 -5.861 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.561 -7.020 7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.920 -5.685 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.580 -5.032 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.719 -7.332 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.251 -7.716 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.495 -5.763 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.870 -5.245 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.718 -6.399 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.131 -7.281 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.767 -7.783 4.136 1.00 0.00 H new ATOM 1311 N ASN A 86 3.872 -9.154 7.417 1.00 0.00 N ATOM 1312 CA ASN A 86 3.109 -9.867 8.433 1.00 0.00 C ATOM 1313 C ASN A 86 1.992 -10.718 7.808 1.00 0.00 C ATOM 1314 O ASN A 86 0.908 -10.812 8.392 1.00 0.00 O ATOM 1315 CB ASN A 86 2.589 -8.901 9.526 1.00 0.00 C ATOM 1316 CG ASN A 86 3.674 -8.220 10.356 1.00 0.00 C ATOM 1317 OD1 ASN A 86 4.628 -8.835 10.823 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.566 -6.927 10.589 1.00 0.00 N ATOM 0 H ASN A 86 4.877 -9.297 7.522 1.00 0.00 H new ATOM 0 HA ASN A 86 3.782 -10.566 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.981 -8.132 9.050 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.934 -9.456 10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.270 -6.450 11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.778 -6.404 10.207 1.00 0.00 H new ATOM 1325 N ALA A 87 2.208 -11.338 6.637 1.00 0.00 N ATOM 1326 CA ALA A 87 1.172 -12.127 5.964 1.00 0.00 C ATOM 1327 C ALA A 87 0.703 -13.297 6.832 1.00 0.00 C ATOM 1328 O ALA A 87 1.493 -13.893 7.571 1.00 0.00 O ATOM 1329 CB ALA A 87 1.669 -12.650 4.609 1.00 0.00 C ATOM 0 H ALA A 87 3.097 -11.306 6.137 1.00 0.00 H new ATOM 0 HA ALA A 87 0.324 -11.463 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.880 -13.232 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.936 -11.808 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.544 -13.282 4.762 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.573 -13.654 6.702 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.205 -14.836 7.287 1.00 0.00 C ATOM 1337 C LYS A 88 -1.852 -15.607 6.155 1.00 0.00 C ATOM 1338 O LYS A 88 -2.198 -15.006 5.131 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.247 -14.429 8.331 1.00 0.00 C ATOM 1340 CG LYS A 88 -1.586 -13.998 9.650 1.00 0.00 C ATOM 1341 CD LYS A 88 -2.499 -13.177 10.568 1.00 0.00 C ATOM 1342 CE LYS A 88 -3.930 -13.702 10.709 1.00 0.00 C ATOM 1343 NZ LYS A 88 -4.071 -14.753 11.729 1.00 0.00 N ATOM 0 H LYS A 88 -1.230 -13.096 6.156 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.465 -15.454 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.852 -13.610 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.922 -15.264 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.255 -14.888 10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.695 -13.412 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.046 -13.134 11.559 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.540 -12.155 10.192 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.590 -12.872 10.960 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.262 -14.093 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.063 -15.063 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.466 -15.561 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.784 -14.378 12.656 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.002 -16.919 6.323 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.368 -17.833 5.254 1.00 0.00 C ATOM 1359 C GLY A 89 -1.206 -17.940 4.265 1.00 0.00 C ATOM 1360 O GLY A 89 -0.488 -18.941 4.237 1.00 0.00 O ATOM 0 H GLY A 89 -1.869 -17.380 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.604 -18.815 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.263 -17.476 4.745 1.00 0.00 H new ATOM 1364 N LEU A 90 -0.992 -16.885 3.484 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.023 -16.777 2.400 1.00 0.00 C ATOM 1366 C LEU A 90 1.385 -16.771 2.993 1.00 0.00 C ATOM 1367 O LEU A 90 1.811 -15.768 3.566 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.258 -15.476 1.603 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.710 -15.168 1.218 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.779 -13.767 0.616 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.218 -16.219 0.242 1.00 0.00 C ATOM 0 H LEU A 90 -1.528 -16.025 3.601 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.138 -17.625 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.125 -14.641 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.336 -15.522 0.690 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.349 -15.198 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.809 -13.540 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.431 -13.039 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.147 -13.720 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.250 -15.996 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.598 -16.213 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.170 -17.203 0.709 1.00 0.00 H new ATOM 1383 N SER A 91 2.131 -17.865 2.862 1.00 0.00 N ATOM 1384 CA SER A 91 3.444 -18.018 3.488 1.00 0.00 C ATOM 1385 C SER A 91 4.547 -17.301 2.687 1.00 0.00 C ATOM 1386 O SER A 91 5.590 -17.883 2.395 1.00 0.00 O ATOM 1387 CB SER A 91 3.713 -19.518 3.663 1.00 0.00 C ATOM 1388 OG SER A 91 4.515 -19.770 4.798 1.00 0.00 O ATOM 0 H SER A 91 1.841 -18.676 2.315 1.00 0.00 H new ATOM 0 HA SER A 91 3.451 -17.539 4.467 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.766 -20.050 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.208 -19.907 2.773 1.00 0.00 H new ATOM 0 HG SER A 91 4.667 -20.734 4.883 1.00 0.00 H new ATOM 1394 N ASN A 92 4.343 -16.030 2.316 1.00 0.00 N ATOM 1395 CA ASN A 92 5.149 -15.304 1.314 1.00 0.00 C ATOM 1396 C ASN A 92 5.008 -15.958 -0.064 1.00 0.00 C ATOM 1397 O ASN A 92 5.875 -15.814 -0.923 1.00 0.00 O ATOM 1398 CB ASN A 92 6.626 -15.119 1.712 1.00 0.00 C ATOM 1399 CG ASN A 92 6.800 -14.702 3.158 1.00 0.00 C ATOM 1400 OD1 ASN A 92 6.811 -13.520 3.485 1.00 0.00 O ATOM 1401 ND2 ASN A 92 6.892 -15.667 4.059 1.00 0.00 N ATOM 0 H ASN A 92 3.595 -15.460 2.712 1.00 0.00 H new ATOM 0 HA ASN A 92 4.743 -14.293 1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.162 -16.052 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.080 -14.368 1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.974 -15.434 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.881 -16.643 3.764 1.00 0.00 H new ATOM 1408 N GLU A 93 3.923 -16.711 -0.254 1.00 0.00 N ATOM 1409 CA GLU A 93 3.605 -17.440 -1.466 1.00 0.00 C ATOM 1410 C GLU A 93 2.844 -16.485 -2.386 1.00 0.00 C ATOM 1411 O GLU A 93 3.481 -15.661 -3.041 1.00 0.00 O ATOM 1412 CB GLU A 93 2.858 -18.712 -1.046 1.00 0.00 C ATOM 1413 CG GLU A 93 2.524 -19.692 -2.180 1.00 0.00 C ATOM 1414 CD GLU A 93 1.715 -20.881 -1.646 1.00 0.00 C ATOM 1415 OE1 GLU A 93 2.104 -21.503 -0.629 1.00 0.00 O ATOM 1416 OE2 GLU A 93 0.630 -21.194 -2.188 1.00 0.00 O ATOM 0 H GLU A 93 3.215 -16.829 0.471 1.00 0.00 H new ATOM 0 HA GLU A 93 4.469 -17.776 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.459 -19.236 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.929 -18.421 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.957 -19.179 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.444 -20.050 -2.642 1.00 0.00 H new ATOM 1423 N SER A 94 1.503 -16.471 -2.366 1.00 0.00 N ATOM 1424 CA SER A 94 0.743 -15.597 -3.274 1.00 0.00 C ATOM 1425 C SER A 94 0.833 -14.106 -2.929 1.00 0.00 C ATOM 1426 O SER A 94 0.343 -13.239 -3.647 1.00 0.00 O ATOM 1427 CB SER A 94 -0.665 -16.122 -3.516 1.00 0.00 C ATOM 1428 OG SER A 94 -1.654 -15.544 -2.706 1.00 0.00 O ATOM 0 H SER A 94 0.931 -17.043 -1.744 1.00 0.00 H new ATOM 0 HA SER A 94 1.240 -15.645 -4.243 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.926 -15.954 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.668 -17.200 -3.356 1.00 0.00 H new ATOM 0 HG SER A 94 -1.860 -14.644 -3.034 1.00 0.00 H new ATOM 1434 N VAL A 95 1.539 -13.796 -1.850 1.00 0.00 N ATOM 1435 CA VAL A 95 2.058 -12.464 -1.559 1.00 0.00 C ATOM 1436 C VAL A 95 2.852 -11.960 -2.750 1.00 0.00 C ATOM 1437 O VAL A 95 2.589 -10.850 -3.200 1.00 0.00 O ATOM 1438 CB VAL A 95 2.962 -12.469 -0.310 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.186 -11.044 0.211 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.363 -13.366 0.770 1.00 0.00 C ATOM 0 H VAL A 95 1.774 -14.482 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 95 1.210 -11.807 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 95 3.936 -12.872 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.827 -11.075 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.664 -10.444 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.227 -10.598 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.010 -13.361 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.376 -12.994 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.274 -14.384 0.390 1.00 0.00 H new ATOM 1450 N ASN A 96 3.780 -12.777 -3.266 1.00 0.00 N ATOM 1451 CA ASN A 96 4.601 -12.407 -4.406 1.00 0.00 C ATOM 1452 C ASN A 96 3.699 -12.020 -5.560 1.00 0.00 C ATOM 1453 O ASN A 96 3.924 -10.975 -6.164 1.00 0.00 O ATOM 1454 CB ASN A 96 5.516 -13.556 -4.858 1.00 0.00 C ATOM 1455 CG ASN A 96 6.753 -13.727 -3.999 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.365 -12.751 -3.568 1.00 0.00 O ATOM 1457 ND2 ASN A 96 7.162 -14.960 -3.771 1.00 0.00 N ATOM 0 H ASN A 96 3.975 -13.709 -2.900 1.00 0.00 H new ATOM 0 HA ASN A 96 5.233 -11.572 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.947 -14.486 -4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.823 -13.380 -5.889 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.007 -15.124 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.633 -15.750 -4.142 1.00 0.00 H new ATOM 1464 N LEU A 97 2.658 -12.822 -5.819 1.00 0.00 N ATOM 1465 CA LEU A 97 1.756 -12.594 -6.927 1.00 0.00 C ATOM 1466 C LEU A 97 1.123 -11.228 -6.776 1.00 0.00 C ATOM 1467 O LEU A 97 1.224 -10.393 -7.671 1.00 0.00 O ATOM 1468 CB LEU A 97 0.709 -13.707 -6.933 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.298 -13.619 -8.085 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.973 -14.989 -8.092 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.360 -12.545 -7.868 1.00 0.00 C ATOM 0 H LEU A 97 2.428 -13.643 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 97 2.286 -12.613 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.219 -14.669 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.166 -13.684 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 97 0.205 -13.357 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.716 -15.024 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.224 -15.763 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.461 -15.159 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.043 -12.532 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.918 -12.763 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.879 -11.571 -7.774 1.00 0.00 H new ATOM 1483 N LEU A 98 0.458 -10.999 -5.642 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.291 -9.778 -5.454 1.00 0.00 C ATOM 1485 C LEU A 98 0.640 -8.578 -5.521 1.00 0.00 C ATOM 1486 O LEU A 98 0.292 -7.569 -6.121 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.975 -9.827 -4.083 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.729 -8.530 -3.736 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.816 -8.159 -4.750 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.342 -8.681 -2.347 1.00 0.00 C ATOM 0 H LEU A 98 0.429 -11.644 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.039 -9.682 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.674 -10.663 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.225 -10.020 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.005 -7.716 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.303 -7.235 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.365 -8.019 -5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.554 -8.959 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.880 -7.770 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.033 -9.524 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.551 -8.857 -1.618 1.00 0.00 H new ATOM 1502 N LYS A 99 1.822 -8.668 -4.913 1.00 0.00 N ATOM 1503 CA LYS A 99 2.788 -7.582 -4.943 1.00 0.00 C ATOM 1504 C LYS A 99 3.121 -7.245 -6.390 1.00 0.00 C ATOM 1505 O LYS A 99 3.047 -6.079 -6.762 1.00 0.00 O ATOM 1506 CB LYS A 99 4.018 -7.964 -4.107 1.00 0.00 C ATOM 1507 CG LYS A 99 4.496 -6.780 -3.267 1.00 0.00 C ATOM 1508 CD LYS A 99 5.372 -7.254 -2.092 1.00 0.00 C ATOM 1509 CE LYS A 99 6.826 -6.912 -2.386 1.00 0.00 C ATOM 1510 NZ LYS A 99 7.773 -7.443 -1.387 1.00 0.00 N ATOM 0 H LYS A 99 2.131 -9.489 -4.392 1.00 0.00 H new ATOM 0 HA LYS A 99 2.374 -6.679 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.773 -8.802 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.821 -8.296 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.063 -6.091 -3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.636 -6.230 -2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.052 -6.774 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.260 -8.329 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.091 -7.303 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.933 -5.828 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.694 -6.973 -1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.405 -7.264 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.888 -8.467 -1.528 1.00 0.00 H new ATOM 1524 N SER A 100 3.399 -8.254 -7.211 1.00 0.00 N ATOM 1525 CA SER A 100 3.680 -8.087 -8.624 1.00 0.00 C ATOM 1526 C SER A 100 2.482 -7.518 -9.399 1.00 0.00 C ATOM 1527 O SER A 100 2.667 -6.733 -10.332 1.00 0.00 O ATOM 1528 CB SER A 100 4.114 -9.450 -9.178 1.00 0.00 C ATOM 1529 OG SER A 100 5.250 -9.909 -8.466 1.00 0.00 O ATOM 0 H SER A 100 3.435 -9.226 -6.902 1.00 0.00 H new ATOM 0 HA SER A 100 4.478 -7.355 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.299 -10.168 -9.086 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.346 -9.366 -10.240 1.00 0.00 H new ATOM 0 HG SER A 100 4.964 -10.315 -7.621 1.00 0.00 H new ATOM 1535 N HIS A 101 1.252 -7.889 -9.031 1.00 0.00 N ATOM 1536 CA HIS A 101 0.032 -7.387 -9.652 1.00 0.00 C ATOM 1537 C HIS A 101 -0.109 -5.898 -9.364 1.00 0.00 C ATOM 1538 O HIS A 101 -0.322 -5.099 -10.282 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.183 -8.187 -9.149 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.404 -9.470 -9.907 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.443 -10.263 -10.468 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.615 -10.072 -10.135 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -1.088 -11.324 -11.123 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -2.401 -11.182 -10.857 1.00 0.00 N flip ATOM 0 H HIS A 101 1.078 -8.558 -8.281 1.00 0.00 H new ATOM 0 HA HIS A 101 0.084 -7.517 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.047 -8.416 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.076 -7.567 -9.228 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.575 -9.714 -9.793 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.626 -12.097 -11.719 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.130 -11.828 -11.162 1.00 0.00 H new ATOM 1552 N LEU A 102 0.047 -5.523 -8.095 1.00 0.00 N ATOM 1553 CA LEU A 102 0.003 -4.148 -7.634 1.00 0.00 C ATOM 1554 C LEU A 102 1.113 -3.347 -8.306 1.00 0.00 C ATOM 1555 O LEU A 102 0.867 -2.226 -8.758 1.00 0.00 O ATOM 1556 CB LEU A 102 0.074 -4.102 -6.098 1.00 0.00 C ATOM 1557 CG LEU A 102 -1.124 -4.758 -5.392 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.848 -4.885 -3.891 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.434 -3.983 -5.576 1.00 0.00 C ATOM 0 H LEU A 102 0.212 -6.192 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.943 -3.686 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.989 -4.597 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.144 -3.062 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.245 -5.738 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.703 -5.351 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.038 -5.500 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.682 -3.895 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.239 -4.500 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.323 -2.978 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.673 -3.919 -6.638 1.00 0.00 H new ATOM 1571 N GLU A 103 2.315 -3.902 -8.428 1.00 0.00 N ATOM 1572 CA GLU A 103 3.414 -3.204 -9.081 1.00 0.00 C ATOM 1573 C GLU A 103 3.105 -2.887 -10.548 1.00 0.00 C ATOM 1574 O GLU A 103 3.735 -1.977 -11.071 1.00 0.00 O ATOM 1575 CB GLU A 103 4.732 -3.976 -8.916 1.00 0.00 C ATOM 1576 CG GLU A 103 5.344 -3.741 -7.526 1.00 0.00 C ATOM 1577 CD GLU A 103 6.701 -4.427 -7.382 1.00 0.00 C ATOM 1578 OE1 GLU A 103 6.765 -5.668 -7.227 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.754 -3.745 -7.389 1.00 0.00 O ATOM 0 H GLU A 103 2.551 -4.832 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 103 3.536 -2.242 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.553 -5.041 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.438 -3.663 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.458 -2.671 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.664 -4.116 -6.761 1.00 0.00 H new ATOM 1586 N GLU A 104 2.149 -3.541 -11.221 1.00 0.00 N ATOM 1587 CA GLU A 104 1.658 -3.124 -12.534 1.00 0.00 C ATOM 1588 C GLU A 104 0.453 -2.186 -12.449 1.00 0.00 C ATOM 1589 O GLU A 104 0.445 -1.158 -13.123 1.00 0.00 O ATOM 1590 CB GLU A 104 1.298 -4.372 -13.345 1.00 0.00 C ATOM 1591 CG GLU A 104 2.561 -5.095 -13.817 1.00 0.00 C ATOM 1592 CD GLU A 104 3.354 -4.260 -14.833 1.00 0.00 C ATOM 1593 OE1 GLU A 104 2.751 -3.695 -15.773 1.00 0.00 O ATOM 1594 OE2 GLU A 104 4.586 -4.103 -14.660 1.00 0.00 O ATOM 0 H GLU A 104 1.693 -4.381 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 104 2.453 -2.561 -13.024 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.694 -5.045 -12.737 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.692 -4.090 -14.206 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.194 -5.318 -12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.286 -6.049 -14.267 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.547 -2.487 -11.613 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.740 -1.649 -11.419 1.00 0.00 C ATOM 1603 C LEU A 105 -1.338 -0.211 -11.120 1.00 0.00 C ATOM 1604 O LEU A 105 -1.957 0.717 -11.631 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.602 -2.256 -10.304 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.736 -1.362 -9.764 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.864 -1.160 -10.775 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.361 -2.021 -8.535 1.00 0.00 C ATOM 0 H LEU A 105 -0.552 -3.332 -11.042 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.333 -1.625 -12.333 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.042 -3.182 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.950 -2.523 -9.473 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.284 -0.397 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.633 -0.523 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.467 -0.687 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.297 -2.126 -11.035 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.163 -1.390 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.766 -2.995 -8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.601 -2.149 -7.765 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.268 -0.009 -10.356 1.00 0.00 N ATOM 1621 CA ALA A 106 0.244 1.305 -10.054 1.00 0.00 C ATOM 1622 C ALA A 106 0.531 2.095 -11.337 1.00 0.00 C ATOM 1623 O ALA A 106 0.134 3.256 -11.405 1.00 0.00 O ATOM 1624 CB ALA A 106 1.469 1.133 -9.159 1.00 0.00 C ATOM 0 H ALA A 106 0.266 -0.766 -9.930 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.496 1.899 -9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.880 2.112 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.180 0.619 -8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.222 0.545 -9.683 1.00 0.00 H new ATOM 1630 N LYS A 107 1.156 1.498 -12.364 1.00 0.00 N ATOM 1631 CA LYS A 107 1.443 2.201 -13.622 1.00 0.00 C ATOM 1632 C LYS A 107 0.149 2.667 -14.278 1.00 0.00 C ATOM 1633 O LYS A 107 0.088 3.780 -14.789 1.00 0.00 O ATOM 1634 CB LYS A 107 2.212 1.323 -14.629 1.00 0.00 C ATOM 1635 CG LYS A 107 3.693 1.075 -14.303 1.00 0.00 C ATOM 1636 CD LYS A 107 3.889 -0.289 -13.651 1.00 0.00 C ATOM 1637 CE LYS A 107 5.371 -0.562 -13.375 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.636 -1.979 -13.041 1.00 0.00 N ATOM 0 H LYS A 107 1.472 0.528 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 107 2.070 3.054 -13.361 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.709 0.359 -14.701 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.149 1.790 -15.612 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.285 1.134 -15.217 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.058 1.856 -13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.328 -0.333 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.488 -1.067 -14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.957 -0.283 -14.251 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.706 0.070 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.652 -2.110 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.099 -2.241 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.343 -2.583 -13.835 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.898 1.838 -14.250 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.159 2.140 -14.908 1.00 0.00 C ATOM 1654 C LYS A 108 -2.815 3.293 -14.176 1.00 0.00 C ATOM 1655 O LYS A 108 -3.395 4.170 -14.811 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.075 0.909 -14.906 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.440 -0.293 -15.627 1.00 0.00 C ATOM 1658 CD LYS A 108 -3.301 -1.551 -15.512 1.00 0.00 C ATOM 1659 CE LYS A 108 -4.621 -1.388 -16.268 1.00 0.00 C ATOM 1660 NZ LYS A 108 -5.569 -2.466 -15.946 1.00 0.00 N ATOM 0 H LYS A 108 -0.889 0.939 -13.768 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.979 2.416 -15.947 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.306 0.632 -13.877 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.020 1.161 -15.388 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.294 -0.049 -16.679 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.454 -0.489 -15.206 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.755 -2.407 -15.909 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.504 -1.762 -14.462 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.067 -0.425 -16.019 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.428 -1.382 -17.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.452 -2.322 -16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.154 -3.383 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.773 -2.456 -14.926 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.712 3.291 -12.846 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.371 4.269 -12.012 1.00 0.00 C ATOM 1676 C GLN A 109 -2.590 5.588 -11.939 1.00 0.00 C ATOM 1677 O GLN A 109 -3.119 6.571 -11.417 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.628 3.692 -10.607 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.519 2.436 -10.603 1.00 0.00 C ATOM 1680 CD GLN A 109 -5.954 2.749 -11.016 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.485 2.163 -11.955 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.628 3.653 -10.327 1.00 0.00 N ATOM 0 H GLN A 109 -2.165 2.605 -12.326 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.332 4.500 -12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.672 3.449 -10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.095 4.459 -9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.101 1.693 -11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.517 1.994 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.182 4.137 -9.548 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.594 3.867 -10.574 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.343 5.611 -12.422 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.439 6.741 -12.324 1.00 0.00 C ATOM 1693 C CYS A 110 -1.054 7.960 -13.011 1.00 0.00 C ATOM 1694 O CYS A 110 -1.686 7.857 -14.072 1.00 0.00 O ATOM 1695 CB CYS A 110 0.919 6.325 -12.907 1.00 0.00 C ATOM 1696 SG CYS A 110 2.146 7.669 -12.874 1.00 0.00 S ATOM 0 H CYS A 110 -0.931 4.813 -12.906 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.276 7.033 -11.287 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.304 5.474 -12.345 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.780 5.992 -13.935 1.00 0.00 H new ATOM 0 HG CYS A 110 1.937 8.422 -11.835 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.857 9.119 -12.387 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.430 10.389 -12.792 1.00 0.00 C ATOM 1704 C GLY A 111 -2.215 11.025 -11.654 1.00 0.00 C ATOM 1705 O GLY A 111 -2.218 12.250 -11.528 1.00 0.00 O ATOM 0 H GLY A 111 -0.271 9.196 -11.555 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.636 11.064 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.085 10.239 -13.650 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.847 10.238 -10.784 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.457 10.730 -9.556 1.00 0.00 C ATOM 1711 C GLU A 112 -3.352 9.657 -8.473 1.00 0.00 C ATOM 1712 O GLU A 112 -2.740 8.611 -8.698 1.00 0.00 O ATOM 1713 CB GLU A 112 -4.883 11.226 -9.816 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.965 10.154 -9.949 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.252 10.798 -10.464 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.952 11.467 -9.664 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.565 10.690 -11.673 1.00 0.00 O ATOM 0 H GLU A 112 -2.949 9.232 -10.916 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.917 11.602 -9.186 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.165 11.896 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.876 11.819 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.637 9.372 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.143 9.679 -8.984 1.00 0.00 H new ATOM 1724 N VAL A 113 -3.878 9.947 -7.284 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.712 9.090 -6.125 1.00 0.00 C ATOM 1726 C VAL A 113 -4.328 7.701 -6.343 1.00 0.00 C ATOM 1727 O VAL A 113 -5.472 7.579 -6.798 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.262 9.781 -4.868 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.320 10.883 -4.384 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.680 10.349 -4.958 1.00 0.00 C ATOM 0 H VAL A 113 -4.431 10.785 -7.103 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.645 8.924 -5.975 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.323 8.961 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.737 11.353 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.348 10.452 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.202 11.631 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.949 10.809 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.722 11.098 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.381 9.545 -5.183 1.00 0.00 H new ATOM 1740 N MET A 114 -3.570 6.649 -6.023 1.00 0.00 N ATOM 1741 CA MET A 114 -3.942 5.261 -6.272 1.00 0.00 C ATOM 1742 C MET A 114 -4.077 4.415 -4.996 1.00 0.00 C ATOM 1743 O MET A 114 -4.499 3.269 -5.118 1.00 0.00 O ATOM 1744 CB MET A 114 -2.959 4.633 -7.270 1.00 0.00 C ATOM 1745 CG MET A 114 -1.500 4.643 -6.808 1.00 0.00 C ATOM 1746 SD MET A 114 -0.550 6.027 -7.488 1.00 0.00 S ATOM 1747 CE MET A 114 -0.071 5.334 -9.074 1.00 0.00 C ATOM 0 H MET A 114 -2.660 6.745 -5.573 1.00 0.00 H new ATOM 0 HA MET A 114 -4.942 5.271 -6.706 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.261 3.603 -7.460 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.031 5.166 -8.218 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.470 4.689 -5.719 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.026 3.706 -7.100 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.717 5.945 -9.515 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.295 4.317 -8.931 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.934 5.319 -9.740 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.719 4.894 -3.793 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.627 4.027 -2.603 1.00 0.00 C ATOM 1759 C ILE A 115 -4.975 3.359 -2.349 1.00 0.00 C ATOM 1760 O ILE A 115 -5.021 2.163 -2.056 1.00 0.00 O ATOM 1761 CB ILE A 115 -3.156 4.814 -1.345 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.720 5.342 -1.549 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.291 4.046 -0.019 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -1.208 6.276 -0.432 1.00 0.00 C ATOM 0 H ILE A 115 -3.489 5.872 -3.618 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.876 3.262 -2.799 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.842 5.655 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.043 4.491 -1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.676 5.876 -2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.939 4.672 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.337 3.785 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.693 3.136 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.192 6.596 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.856 7.150 -0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.214 5.743 0.519 1.00 0.00 H new ATOM 1776 N PHE A 116 -6.056 4.124 -2.468 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.407 3.639 -2.242 1.00 0.00 C ATOM 1778 C PHE A 116 -7.787 2.486 -3.185 1.00 0.00 C ATOM 1779 O PHE A 116 -8.426 1.530 -2.741 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.366 4.825 -2.366 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.507 5.641 -1.104 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.327 5.151 -0.076 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -7.848 6.875 -0.951 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.505 5.899 1.092 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.021 7.619 0.231 1.00 0.00 C ATOM 1786 CZ PHE A 116 -8.866 7.140 1.245 1.00 0.00 C ATOM 0 H PHE A 116 -6.014 5.110 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.473 3.216 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -8.020 5.475 -3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.349 4.454 -2.657 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.820 4.197 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.211 7.250 -1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.138 5.520 1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.504 8.559 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.024 7.724 2.140 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.407 2.543 -4.463 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.582 1.458 -5.424 1.00 0.00 C ATOM 1798 C GLU A 117 -6.748 0.254 -4.987 1.00 0.00 C ATOM 1799 O GLU A 117 -7.277 -0.853 -4.919 1.00 0.00 O ATOM 1800 CB GLU A 117 -7.238 1.996 -6.820 1.00 0.00 C ATOM 1801 CG GLU A 117 -6.826 1.016 -7.913 1.00 0.00 C ATOM 1802 CD GLU A 117 -7.836 -0.043 -8.363 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -7.840 -1.171 -7.831 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -8.526 0.177 -9.385 1.00 0.00 O ATOM 0 H GLU A 117 -6.958 3.366 -4.866 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.612 1.104 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -8.106 2.546 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.429 2.717 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -6.543 1.598 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.931 0.496 -7.572 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.471 0.457 -4.639 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.577 -0.652 -4.298 1.00 0.00 C ATOM 1813 C LEU A 118 -5.159 -1.458 -3.135 1.00 0.00 C ATOM 1814 O LEU A 118 -5.286 -2.680 -3.226 1.00 0.00 O ATOM 1815 CB LEU A 118 -3.140 -0.213 -3.958 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.423 0.807 -4.869 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.923 0.532 -4.779 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.860 0.840 -6.339 1.00 0.00 C ATOM 0 H LEU A 118 -5.036 1.378 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.508 -1.269 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.155 0.202 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.523 -1.111 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.703 1.792 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.385 1.237 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.593 0.647 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.719 -0.485 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.284 1.596 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.686 -0.136 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.921 1.084 -6.398 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.540 -0.772 -2.055 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.206 -1.359 -0.904 1.00 0.00 C ATOM 1832 C ALA A 119 -7.472 -2.139 -1.280 1.00 0.00 C ATOM 1833 O ALA A 119 -7.724 -3.203 -0.710 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.530 -0.266 0.118 1.00 0.00 C ATOM 0 H ALA A 119 -5.387 0.232 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.519 -2.082 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.029 -0.710 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.607 0.215 0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.185 0.476 -0.338 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.285 -1.641 -2.213 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.451 -2.365 -2.718 1.00 0.00 C ATOM 1842 C HIS A 120 -9.009 -3.654 -3.426 1.00 0.00 C ATOM 1843 O HIS A 120 -9.561 -4.727 -3.170 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.268 -1.458 -3.655 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.661 -1.151 -3.168 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.817 -1.377 -3.879 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -12.015 -0.549 -1.990 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.842 -0.913 -3.153 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -13.408 -0.405 -1.986 1.00 0.00 N ATOM 0 H HIS A 120 -8.153 -0.724 -2.640 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.091 -2.648 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.730 -0.520 -3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.335 -1.934 -4.633 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.341 -0.241 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.876 -0.943 -3.463 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.979 0.003 -1.246 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.997 -3.573 -4.292 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.504 -4.700 -5.074 1.00 0.00 C ATOM 1859 C HIS A 121 -6.944 -5.813 -4.178 1.00 0.00 C ATOM 1860 O HIS A 121 -7.148 -6.996 -4.437 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.453 -4.190 -6.066 1.00 0.00 C ATOM 1862 CG HIS A 121 -6.156 -5.183 -7.155 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.668 -5.147 -8.430 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -5.338 -6.276 -7.062 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -6.163 -6.188 -9.109 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -5.323 -6.884 -8.322 1.00 0.00 N ATOM 0 H HIS A 121 -7.491 -2.706 -4.470 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.334 -5.143 -5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.802 -3.259 -6.513 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.533 -3.960 -5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.805 -6.607 -6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -6.396 -6.431 -10.135 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.777 -7.702 -8.593 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.262 -5.462 -3.089 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.809 -6.423 -2.086 1.00 0.00 C ATOM 1876 C VAL A 122 -7.015 -7.158 -1.494 1.00 0.00 C ATOM 1877 O VAL A 122 -6.950 -8.370 -1.308 1.00 0.00 O ATOM 1878 CB VAL A 122 -5.042 -5.665 -0.990 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.697 -6.568 0.203 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.753 -5.006 -1.505 1.00 0.00 C ATOM 0 H VAL A 122 -6.007 -4.497 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.149 -7.162 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.723 -4.879 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.156 -5.990 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.615 -6.960 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.075 -7.396 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.257 -4.487 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.088 -5.771 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.998 -4.292 -2.291 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.093 -6.454 -1.149 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.226 -7.079 -0.473 1.00 0.00 C ATOM 1892 C GLN A 123 -10.009 -7.983 -1.427 1.00 0.00 C ATOM 1893 O GLN A 123 -10.555 -9.004 -0.992 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.112 -5.998 0.151 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.391 -5.289 1.310 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.172 -4.079 1.794 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -10.935 -4.158 2.755 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -9.981 -2.941 1.157 1.00 0.00 N ATOM 0 H GLN A 123 -8.204 -5.456 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.855 -7.719 0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.389 -5.268 -0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.036 -6.447 0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.252 -5.988 2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.398 -4.977 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.342 -2.902 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.472 -2.099 1.459 1.00 0.00 H new ATOM 1907 N SER A 124 -10.019 -7.666 -2.726 1.00 0.00 N ATOM 1908 CA SER A 124 -10.397 -8.602 -3.776 1.00 0.00 C ATOM 1909 C SER A 124 -9.527 -9.851 -3.691 1.00 0.00 C ATOM 1910 O SER A 124 -10.051 -10.946 -3.489 1.00 0.00 O ATOM 1911 CB SER A 124 -10.270 -7.932 -5.147 1.00 0.00 C ATOM 1912 OG SER A 124 -11.288 -6.964 -5.283 1.00 0.00 O ATOM 0 H SER A 124 -9.762 -6.743 -3.075 1.00 0.00 H new ATOM 0 HA SER A 124 -11.437 -8.899 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.291 -7.465 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.351 -8.677 -5.939 1.00 0.00 H new ATOM 0 HG SER A 124 -11.212 -6.530 -6.158 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.207 -9.690 -3.798 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.276 -10.780 -3.929 1.00 0.00 C ATOM 1920 C PHE A 125 -7.318 -11.711 -2.725 1.00 0.00 C ATOM 1921 O PHE A 125 -7.221 -12.929 -2.861 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.889 -10.166 -4.047 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.852 -11.237 -4.184 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.661 -11.853 -5.424 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.160 -11.669 -3.045 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.720 -12.887 -5.541 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.192 -12.680 -3.163 1.00 0.00 C ATOM 1928 CZ PHE A 125 -2.957 -13.260 -4.424 1.00 0.00 C ATOM 0 H PHE A 125 -7.759 -8.773 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.534 -11.377 -4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.851 -9.502 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.678 -9.558 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.232 -11.536 -6.284 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.370 -11.227 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.584 -13.393 -6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.635 -13.008 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.179 -14.002 -4.533 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.418 -11.137 -1.527 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.419 -11.909 -0.306 1.00 0.00 C ATOM 1940 C LEU A 126 -8.672 -12.779 -0.284 1.00 0.00 C ATOM 1941 O LEU A 126 -8.569 -13.975 -0.056 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.318 -10.994 0.924 1.00 0.00 C ATOM 1943 CG LEU A 126 -5.913 -10.387 1.115 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -5.978 -9.330 2.217 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -4.856 -11.431 1.503 1.00 0.00 C ATOM 0 H LEU A 126 -7.500 -10.130 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.544 -12.558 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.045 -10.188 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.586 -11.562 1.815 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.615 -9.957 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.990 -8.893 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.682 -8.548 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.309 -9.793 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.889 -10.943 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.141 -11.906 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.786 -12.186 0.720 1.00 0.00 H new ATOM 1957 N SER A 127 -9.846 -12.186 -0.508 1.00 0.00 N ATOM 1958 CA SER A 127 -11.128 -12.875 -0.650 1.00 0.00 C ATOM 1959 C SER A 127 -11.048 -14.000 -1.694 1.00 0.00 C ATOM 1960 O SER A 127 -11.532 -15.096 -1.414 1.00 0.00 O ATOM 1961 CB SER A 127 -12.206 -11.824 -0.936 1.00 0.00 C ATOM 1962 OG SER A 127 -13.529 -12.232 -0.647 1.00 0.00 O ATOM 0 H SER A 127 -9.932 -11.174 -0.599 1.00 0.00 H new ATOM 0 HA SER A 127 -11.399 -13.386 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.983 -10.929 -0.356 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.150 -11.544 -1.988 1.00 0.00 H new ATOM 0 HG SER A 127 -14.149 -11.503 -0.857 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.391 -13.771 -2.836 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.042 -14.783 -3.821 1.00 0.00 C ATOM 1970 C GLU A 128 -9.248 -15.934 -3.206 1.00 0.00 C ATOM 1971 O GLU A 128 -9.660 -17.088 -3.282 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.232 -14.100 -4.932 1.00 0.00 C ATOM 1973 CG GLU A 128 -9.991 -14.057 -6.248 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.135 -15.422 -6.930 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -9.394 -16.381 -6.610 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -11.031 -15.524 -7.800 1.00 0.00 O ATOM 0 H GLU A 128 -10.079 -12.838 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.955 -15.221 -4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.981 -13.085 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.291 -14.632 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.984 -13.645 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.481 -13.375 -6.928 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.101 -15.636 -2.596 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.239 -16.638 -1.987 1.00 0.00 C ATOM 1985 C HIS A 129 -7.858 -17.298 -0.757 1.00 0.00 C ATOM 1986 O HIS A 129 -7.314 -18.286 -0.259 1.00 0.00 O ATOM 1987 CB HIS A 129 -5.868 -16.021 -1.674 1.00 0.00 C ATOM 1988 CG HIS A 129 -4.899 -16.399 -2.753 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.818 -15.825 -3.993 1.00 0.00 N flip ATOM 1990 CD2 HIS A 129 -4.147 -17.551 -2.761 1.00 0.00 C flip ATOM 1991 CE1 HIS A 129 -3.992 -16.650 -4.766 1.00 0.00 C flip ATOM 1992 NE2 HIS A 129 -3.632 -17.688 -3.991 1.00 0.00 N flip ATOM 0 H HIS A 129 -7.745 -14.684 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.111 -17.443 -2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -5.951 -14.936 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -5.509 -16.374 -0.707 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -3.999 -18.222 -1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.699 -16.484 -5.792 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -3.050 -18.468 -4.296 1.00 0.00 H new ATOM 2000 N ASN A 130 -8.966 -16.769 -0.253 1.00 0.00 N ATOM 2001 CA ASN A 130 -9.669 -17.321 0.885 1.00 0.00 C ATOM 2002 C ASN A 130 -10.710 -18.323 0.384 1.00 0.00 C ATOM 2003 O ASN A 130 -11.348 -18.098 -0.648 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.272 -16.184 1.721 1.00 0.00 C ATOM 2005 CG ASN A 130 -10.726 -16.699 3.077 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -10.418 -17.817 3.457 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.359 -15.864 3.880 1.00 0.00 N ATOM 0 H ASN A 130 -9.404 -15.930 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 130 -8.989 -17.861 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.534 -15.393 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.117 -15.745 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -11.596 -16.151 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -11.611 -14.932 3.551 1.00 0.00 H new