USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 65 ASN : amide:sc= 1.14 K(o=3.6,f=-1.6!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -165:sc= 2.44 (180deg=2.38) USER MOD Set 2.1: A 47 ASN : amide:sc= 0.931 K(o=2,f=-4.5) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 156:sc= 1.11 (180deg=-0.0376) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.052 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 89:sc= 1.25 USER MOD Single : A 22 ASN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -117:sc= 1.14 (180deg=-0.748) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00735 USER MOD Single : A 49 TYR OH : rot -140:sc= -0.607 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= -6.61! (180deg=-6.72!) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.0428 (180deg=-0.304) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -20:sc= -0.191 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.108 X(o=0.11,f=-0.11) USER MOD Single : A 113 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.2) USER MOD Single : A 114 TYR OH : rot 76:sc= 2.17 USER MOD Single : B 396 LYS NZ :NH3+ -173:sc= 0.924 (180deg=0.784) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -7.250 10.740 -8.825 1.00 0.00 N ATOM 140 CA PHE A 14 -6.240 11.559 -8.178 1.00 0.00 C ATOM 141 C PHE A 14 -6.445 11.563 -6.668 1.00 0.00 C ATOM 142 O PHE A 14 -5.483 11.504 -5.902 1.00 0.00 O ATOM 143 CB PHE A 14 -6.285 12.989 -8.724 1.00 0.00 C ATOM 144 CG PHE A 14 -5.150 13.852 -8.248 1.00 0.00 C ATOM 145 CD1 PHE A 14 -3.861 13.634 -8.703 1.00 0.00 C ATOM 146 CD2 PHE A 14 -5.374 14.883 -7.350 1.00 0.00 C ATOM 147 CE1 PHE A 14 -2.815 14.426 -8.269 1.00 0.00 C ATOM 148 CE2 PHE A 14 -4.331 15.677 -6.912 1.00 0.00 C ATOM 149 CZ PHE A 14 -3.049 15.448 -7.373 1.00 0.00 C ATOM 0 HA PHE A 14 -5.260 11.134 -8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.271 12.953 -9.813 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.228 13.451 -8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.671 12.836 -9.405 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.375 15.068 -6.988 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.814 14.245 -8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.518 16.476 -6.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.232 16.067 -7.033 1.00 0.00 H new ATOM 159 N SER A 15 -7.707 11.609 -6.248 1.00 0.00 N ATOM 160 CA SER A 15 -8.041 11.633 -4.830 1.00 0.00 C ATOM 161 C SER A 15 -7.565 10.361 -4.135 1.00 0.00 C ATOM 162 O SER A 15 -6.949 10.413 -3.067 1.00 0.00 O ATOM 163 CB SER A 15 -9.549 11.802 -4.649 1.00 0.00 C ATOM 164 OG SER A 15 -10.268 10.826 -5.390 1.00 0.00 O ATOM 0 H SER A 15 -8.514 11.630 -6.871 1.00 0.00 H new ATOM 0 HA SER A 15 -7.530 12.480 -4.373 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.803 11.720 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.847 12.800 -4.971 1.00 0.00 H new ATOM 0 HG SER A 15 -11.230 10.956 -5.255 1.00 0.00 H new ATOM 170 N GLU A 16 -7.842 9.220 -4.754 1.00 0.00 N ATOM 171 CA GLU A 16 -7.442 7.942 -4.194 1.00 0.00 C ATOM 172 C GLU A 16 -5.934 7.766 -4.277 1.00 0.00 C ATOM 173 O GLU A 16 -5.318 7.216 -3.369 1.00 0.00 O ATOM 174 CB GLU A 16 -8.160 6.791 -4.893 1.00 0.00 C ATOM 175 CG GLU A 16 -7.979 6.765 -6.401 1.00 0.00 C ATOM 176 CD GLU A 16 -8.698 5.600 -7.041 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.159 4.701 -6.303 1.00 0.00 O ATOM 178 OE2 GLU A 16 -8.816 5.582 -8.283 1.00 0.00 O ATOM 0 H GLU A 16 -8.341 9.157 -5.641 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.730 7.930 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.800 5.849 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.225 6.852 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.351 7.697 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.916 6.708 -6.637 1.00 0.00 H new ATOM 185 N TYR A 17 -5.340 8.247 -5.363 1.00 0.00 N ATOM 186 CA TYR A 17 -3.899 8.148 -5.535 1.00 0.00 C ATOM 187 C TYR A 17 -3.208 8.933 -4.433 1.00 0.00 C ATOM 188 O TYR A 17 -2.204 8.493 -3.874 1.00 0.00 O ATOM 189 CB TYR A 17 -3.474 8.677 -6.903 1.00 0.00 C ATOM 190 CG TYR A 17 -2.143 8.134 -7.365 1.00 0.00 C ATOM 191 CD1 TYR A 17 -2.012 6.802 -7.737 1.00 0.00 C ATOM 192 CD2 TYR A 17 -1.021 8.947 -7.425 1.00 0.00 C ATOM 193 CE1 TYR A 17 -0.798 6.297 -8.159 1.00 0.00 C ATOM 194 CE2 TYR A 17 0.195 8.450 -7.846 1.00 0.00 C ATOM 195 CZ TYR A 17 0.301 7.125 -8.211 1.00 0.00 C ATOM 196 OH TYR A 17 1.512 6.630 -8.628 1.00 0.00 O ATOM 0 H TYR A 17 -5.831 8.705 -6.131 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.609 7.099 -5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.238 8.421 -7.637 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.421 9.765 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.873 6.151 -7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.101 9.985 -7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.711 5.260 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.060 9.096 -7.889 1.00 0.00 H new ATOM 0 HH TYR A 17 2.182 7.345 -8.607 1.00 0.00 H new ATOM 206 N SER A 18 -3.771 10.094 -4.122 1.00 0.00 N ATOM 207 CA SER A 18 -3.248 10.944 -3.067 1.00 0.00 C ATOM 208 C SER A 18 -3.408 10.249 -1.718 1.00 0.00 C ATOM 209 O SER A 18 -2.525 10.315 -0.870 1.00 0.00 O ATOM 210 CB SER A 18 -3.980 12.290 -3.061 1.00 0.00 C ATOM 211 OG SER A 18 -3.370 13.208 -2.168 1.00 0.00 O ATOM 0 H SER A 18 -4.596 10.468 -4.591 1.00 0.00 H new ATOM 0 HA SER A 18 -2.189 11.126 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.984 12.708 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.021 12.138 -2.774 1.00 0.00 H new ATOM 0 HG SER A 18 -3.859 14.057 -2.188 1.00 0.00 H new ATOM 217 N ARG A 19 -4.532 9.557 -1.551 1.00 0.00 N ATOM 218 CA ARG A 19 -4.829 8.834 -0.318 1.00 0.00 C ATOM 219 C ARG A 19 -3.835 7.689 -0.104 1.00 0.00 C ATOM 220 O ARG A 19 -3.355 7.467 1.009 1.00 0.00 O ATOM 221 CB ARG A 19 -6.264 8.295 -0.371 1.00 0.00 C ATOM 222 CG ARG A 19 -6.687 7.526 0.869 1.00 0.00 C ATOM 223 CD ARG A 19 -6.847 8.437 2.076 1.00 0.00 C ATOM 224 NE ARG A 19 -7.467 7.737 3.197 1.00 0.00 N ATOM 225 CZ ARG A 19 -6.949 7.686 4.425 1.00 0.00 C ATOM 226 NH1 ARG A 19 -5.818 8.324 4.700 1.00 0.00 N ATOM 227 NH2 ARG A 19 -7.572 7.011 5.379 1.00 0.00 N ATOM 0 H ARG A 19 -5.259 9.482 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.735 9.521 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.949 9.130 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.364 7.644 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.629 7.013 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.946 6.758 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.871 8.817 2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.455 9.300 1.804 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.351 7.257 3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.342 8.856 3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.425 8.283 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.448 6.530 5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.176 6.972 6.318 1.00 0.00 H new ATOM 241 N ILE A 20 -3.530 6.970 -1.178 1.00 0.00 N ATOM 242 CA ILE A 20 -2.588 5.856 -1.118 1.00 0.00 C ATOM 243 C ILE A 20 -1.181 6.372 -0.811 1.00 0.00 C ATOM 244 O ILE A 20 -0.509 5.887 0.102 1.00 0.00 O ATOM 245 CB ILE A 20 -2.580 5.044 -2.445 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.559 3.874 -2.364 1.00 0.00 C ATOM 247 CG2 ILE A 20 -1.187 4.525 -2.777 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.947 4.194 -2.872 1.00 0.00 C ATOM 0 H ILE A 20 -3.922 7.139 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.911 5.189 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.891 5.721 -3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.158 3.038 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.630 3.545 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.221 3.963 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.502 5.366 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.840 3.874 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.580 3.312 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.371 5.008 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.891 4.493 -3.919 1.00 0.00 H new ATOM 260 N SER A 21 -0.758 7.377 -1.566 1.00 0.00 N ATOM 261 CA SER A 21 0.561 7.973 -1.393 1.00 0.00 C ATOM 262 C SER A 21 0.684 8.636 -0.023 1.00 0.00 C ATOM 263 O SER A 21 1.762 8.678 0.566 1.00 0.00 O ATOM 264 CB SER A 21 0.821 8.990 -2.503 1.00 0.00 C ATOM 265 OG SER A 21 0.492 8.446 -3.774 1.00 0.00 O ATOM 0 H SER A 21 -1.314 7.800 -2.310 1.00 0.00 H new ATOM 0 HA SER A 21 1.309 7.183 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.231 9.889 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.869 9.288 -2.491 1.00 0.00 H new ATOM 0 HG SER A 21 -0.453 8.618 -3.969 1.00 0.00 H new ATOM 271 N ASN A 22 -0.433 9.140 0.485 1.00 0.00 N ATOM 272 CA ASN A 22 -0.458 9.795 1.787 1.00 0.00 C ATOM 273 C ASN A 22 -0.092 8.814 2.891 1.00 0.00 C ATOM 274 O ASN A 22 0.521 9.192 3.887 1.00 0.00 O ATOM 275 CB ASN A 22 -1.844 10.384 2.060 1.00 0.00 C ATOM 276 CG ASN A 22 -1.796 11.837 2.494 1.00 0.00 C ATOM 277 OD1 ASN A 22 -2.609 12.649 2.055 1.00 0.00 O ATOM 278 ND2 ASN A 22 -0.857 12.176 3.364 1.00 0.00 N ATOM 0 H ASN A 22 -1.337 9.108 0.014 1.00 0.00 H new ATOM 0 HA ASN A 22 0.277 10.600 1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.452 10.299 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.337 9.796 2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.790 13.139 3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.201 11.474 3.705 1.00 0.00 H new ATOM 285 N LEU A 23 -0.457 7.553 2.702 1.00 0.00 N ATOM 286 CA LEU A 23 -0.176 6.520 3.690 1.00 0.00 C ATOM 287 C LEU A 23 1.323 6.359 3.935 1.00 0.00 C ATOM 288 O LEU A 23 1.762 6.253 5.080 1.00 0.00 O ATOM 289 CB LEU A 23 -0.767 5.174 3.247 1.00 0.00 C ATOM 290 CG LEU A 23 -0.045 3.934 3.799 1.00 0.00 C ATOM 291 CD1 LEU A 23 -1.041 2.877 4.219 1.00 0.00 C ATOM 292 CD2 LEU A 23 0.916 3.358 2.771 1.00 0.00 C ATOM 0 H LEU A 23 -0.949 7.220 1.873 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.643 6.836 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.812 5.134 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.753 5.129 2.158 1.00 0.00 H new ATOM 0 HG LEU A 23 0.527 4.247 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.508 2.009 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.693 3.279 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.641 2.580 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.413 2.482 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.363 3.070 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.662 4.108 2.510 1.00 0.00 H new ATOM 304 N ILE A 24 2.107 6.360 2.861 1.00 0.00 N ATOM 305 CA ILE A 24 3.540 6.153 2.975 1.00 0.00 C ATOM 306 C ILE A 24 4.232 7.281 3.743 1.00 0.00 C ATOM 307 O ILE A 24 5.109 7.020 4.564 1.00 0.00 O ATOM 308 CB ILE A 24 4.202 5.939 1.587 1.00 0.00 C ATOM 309 CG1 ILE A 24 5.506 5.170 1.743 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.464 7.244 0.861 1.00 0.00 C ATOM 311 CD1 ILE A 24 5.313 3.766 2.252 1.00 0.00 C ATOM 0 H ILE A 24 1.773 6.501 1.908 1.00 0.00 H new ATOM 0 HA ILE A 24 3.673 5.239 3.554 1.00 0.00 H new ATOM 0 HB ILE A 24 3.499 5.364 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.015 5.133 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.159 5.711 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.928 7.037 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.522 7.769 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.131 7.865 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.282 3.274 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.831 3.796 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.686 3.210 1.556 1.00 0.00 H new ATOM 323 N VAL A 25 3.821 8.521 3.510 1.00 0.00 N ATOM 324 CA VAL A 25 4.438 9.650 4.194 1.00 0.00 C ATOM 325 C VAL A 25 3.937 9.779 5.632 1.00 0.00 C ATOM 326 O VAL A 25 4.710 10.078 6.538 1.00 0.00 O ATOM 327 CB VAL A 25 4.230 10.979 3.430 1.00 0.00 C ATOM 328 CG1 VAL A 25 4.964 10.939 2.098 1.00 0.00 C ATOM 329 CG2 VAL A 25 2.753 11.270 3.214 1.00 0.00 C ATOM 0 H VAL A 25 3.073 8.769 2.862 1.00 0.00 H new ATOM 0 HA VAL A 25 5.508 9.446 4.221 1.00 0.00 H new ATOM 0 HB VAL A 25 4.641 11.785 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.810 11.880 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.030 10.792 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.579 10.117 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.643 12.211 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.304 10.464 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.252 11.344 4.179 1.00 0.00 H new ATOM 339 N LEU A 26 2.652 9.515 5.848 1.00 0.00 N ATOM 340 CA LEU A 26 2.071 9.615 7.181 1.00 0.00 C ATOM 341 C LEU A 26 2.609 8.528 8.101 1.00 0.00 C ATOM 342 O LEU A 26 3.003 8.801 9.236 1.00 0.00 O ATOM 343 CB LEU A 26 0.552 9.531 7.103 1.00 0.00 C ATOM 344 CG LEU A 26 -0.132 10.805 6.613 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.535 10.497 6.118 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.167 11.850 7.716 1.00 0.00 C ATOM 0 H LEU A 26 1.996 9.231 5.120 1.00 0.00 H new ATOM 0 HA LEU A 26 2.354 10.582 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.281 8.710 6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.164 9.283 8.091 1.00 0.00 H new ATOM 0 HG LEU A 26 0.444 11.209 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.009 11.416 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.482 9.784 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.122 10.070 6.931 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.658 12.751 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.719 11.459 8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.851 12.091 8.021 1.00 0.00 H new ATOM 358 N HIS A 27 2.630 7.294 7.608 1.00 0.00 N ATOM 359 CA HIS A 27 3.131 6.174 8.394 1.00 0.00 C ATOM 360 C HIS A 27 4.620 6.354 8.666 1.00 0.00 C ATOM 361 O HIS A 27 5.109 5.990 9.732 1.00 0.00 O ATOM 362 CB HIS A 27 2.862 4.843 7.677 1.00 0.00 C ATOM 363 CG HIS A 27 3.240 3.626 8.475 1.00 0.00 C ATOM 364 ND1 HIS A 27 4.362 2.867 8.211 1.00 0.00 N ATOM 365 CD2 HIS A 27 2.626 3.024 9.522 1.00 0.00 C ATOM 366 CE1 HIS A 27 4.417 1.856 9.061 1.00 0.00 C ATOM 367 NE2 HIS A 27 3.379 1.931 9.863 1.00 0.00 N ATOM 0 H HIS A 27 2.308 7.046 6.673 1.00 0.00 H new ATOM 0 HA HIS A 27 2.604 6.151 9.348 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.803 4.785 7.427 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.412 4.832 6.736 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.712 3.346 9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.185 1.097 9.091 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.167 1.280 10.619 1.00 0.00 H new ATOM 376 N LEU A 28 5.334 6.929 7.700 1.00 0.00 N ATOM 377 CA LEU A 28 6.765 7.179 7.849 1.00 0.00 C ATOM 378 C LEU A 28 7.003 8.139 9.010 1.00 0.00 C ATOM 379 O LEU A 28 7.896 7.924 9.832 1.00 0.00 O ATOM 380 CB LEU A 28 7.341 7.763 6.551 1.00 0.00 C ATOM 381 CG LEU A 28 8.872 7.725 6.411 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.511 8.952 7.047 1.00 0.00 C ATOM 383 CD2 LEU A 28 9.442 6.450 7.019 1.00 0.00 C ATOM 0 H LEU A 28 4.945 7.230 6.807 1.00 0.00 H new ATOM 0 HA LEU A 28 7.270 6.236 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.906 7.223 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.015 8.800 6.467 1.00 0.00 H new ATOM 0 HG LEU A 28 9.108 7.733 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.594 8.899 6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.139 9.852 6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.259 8.985 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.526 6.447 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.186 6.406 8.078 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.022 5.584 6.508 1.00 0.00 H new ATOM 395 N ARG A 29 6.179 9.180 9.080 1.00 0.00 N ATOM 396 CA ARG A 29 6.277 10.179 10.139 1.00 0.00 C ATOM 397 C ARG A 29 6.114 9.528 11.506 1.00 0.00 C ATOM 398 O ARG A 29 6.783 9.900 12.468 1.00 0.00 O ATOM 399 CB ARG A 29 5.217 11.266 9.949 1.00 0.00 C ATOM 400 CG ARG A 29 5.441 12.120 8.712 1.00 0.00 C ATOM 401 CD ARG A 29 4.238 12.992 8.406 1.00 0.00 C ATOM 402 NE ARG A 29 3.940 13.921 9.493 1.00 0.00 N ATOM 403 CZ ARG A 29 3.020 14.878 9.420 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.318 15.049 8.303 1.00 0.00 N ATOM 405 NH2 ARG A 29 2.802 15.671 10.458 1.00 0.00 N ATOM 0 H ARG A 29 5.430 9.354 8.410 1.00 0.00 H new ATOM 0 HA ARG A 29 7.265 10.637 10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.235 10.798 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.206 11.910 10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.319 12.749 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.650 11.476 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.422 13.554 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.370 12.359 8.223 1.00 0.00 H new ATOM 0 HE ARG A 29 4.469 13.830 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.485 14.445 7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.613 15.784 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.340 15.548 11.316 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.096 16.405 10.400 1.00 0.00 H new ATOM 419 N LYS A 30 5.217 8.557 11.590 1.00 0.00 N ATOM 420 CA LYS A 30 4.989 7.849 12.840 1.00 0.00 C ATOM 421 C LYS A 30 6.162 6.926 13.148 1.00 0.00 C ATOM 422 O LYS A 30 6.587 6.806 14.295 1.00 0.00 O ATOM 423 CB LYS A 30 3.691 7.044 12.778 1.00 0.00 C ATOM 424 CG LYS A 30 2.448 7.908 12.651 1.00 0.00 C ATOM 425 CD LYS A 30 1.194 7.128 13.003 1.00 0.00 C ATOM 426 CE LYS A 30 -0.047 8.002 12.916 1.00 0.00 C ATOM 427 NZ LYS A 30 -1.237 7.333 13.503 1.00 0.00 N ATOM 0 H LYS A 30 4.638 8.243 10.811 1.00 0.00 H new ATOM 0 HA LYS A 30 4.901 8.587 13.638 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.737 6.360 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.609 6.433 13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.536 8.774 13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.369 8.287 11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.091 6.279 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.286 6.724 14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.134 8.943 13.436 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.246 8.247 11.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.062 7.961 13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.425 6.448 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.057 7.121 14.505 1.00 0.00 H new ATOM 441 N VAL A 31 6.696 6.294 12.110 1.00 0.00 N ATOM 442 CA VAL A 31 7.819 5.382 12.262 1.00 0.00 C ATOM 443 C VAL A 31 9.073 6.122 12.726 1.00 0.00 C ATOM 444 O VAL A 31 9.785 5.649 13.606 1.00 0.00 O ATOM 445 CB VAL A 31 8.107 4.627 10.946 1.00 0.00 C ATOM 446 CG1 VAL A 31 9.421 3.872 11.030 1.00 0.00 C ATOM 447 CG2 VAL A 31 6.969 3.673 10.625 1.00 0.00 C ATOM 0 H VAL A 31 6.366 6.398 11.150 1.00 0.00 H new ATOM 0 HA VAL A 31 7.544 4.654 13.026 1.00 0.00 H new ATOM 0 HB VAL A 31 8.187 5.360 10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.601 3.349 10.091 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.233 4.575 11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.374 3.149 11.845 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.186 3.148 9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.861 2.950 11.433 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.042 4.236 10.516 1.00 0.00 H new ATOM 457 N GLU A 32 9.343 7.283 12.140 1.00 0.00 N ATOM 458 CA GLU A 32 10.513 8.070 12.523 1.00 0.00 C ATOM 459 C GLU A 32 10.364 8.587 13.954 1.00 0.00 C ATOM 460 O GLU A 32 11.350 8.807 14.651 1.00 0.00 O ATOM 461 CB GLU A 32 10.737 9.235 11.554 1.00 0.00 C ATOM 462 CG GLU A 32 9.629 10.271 11.561 1.00 0.00 C ATOM 463 CD GLU A 32 9.974 11.497 10.751 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.557 12.446 11.317 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.667 11.519 9.545 1.00 0.00 O ATOM 0 H GLU A 32 8.773 7.699 11.403 1.00 0.00 H new ATOM 0 HA GLU A 32 11.386 7.420 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.678 9.724 11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.842 8.838 10.544 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.717 9.824 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.420 10.567 12.589 1.00 0.00 H new ATOM 472 N GLU A 33 9.122 8.772 14.378 1.00 0.00 N ATOM 473 CA GLU A 33 8.825 9.258 15.716 1.00 0.00 C ATOM 474 C GLU A 33 8.950 8.132 16.747 1.00 0.00 C ATOM 475 O GLU A 33 9.507 8.323 17.830 1.00 0.00 O ATOM 476 CB GLU A 33 7.415 9.860 15.732 1.00 0.00 C ATOM 477 CG GLU A 33 6.902 10.228 17.112 1.00 0.00 C ATOM 478 CD GLU A 33 7.756 11.264 17.813 1.00 0.00 C ATOM 479 OE1 GLU A 33 8.505 11.994 17.132 1.00 0.00 O ATOM 480 OE2 GLU A 33 7.677 11.353 19.055 1.00 0.00 O ATOM 0 H GLU A 33 8.297 8.590 13.807 1.00 0.00 H new ATOM 0 HA GLU A 33 9.547 10.029 15.986 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.408 10.752 15.106 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.725 9.148 15.280 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.883 10.606 17.024 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.856 9.329 17.727 1.00 0.00 H new ATOM 487 N GLU A 34 8.440 6.957 16.401 1.00 0.00 N ATOM 488 CA GLU A 34 8.482 5.809 17.302 1.00 0.00 C ATOM 489 C GLU A 34 9.769 5.004 17.142 1.00 0.00 C ATOM 490 O GLU A 34 10.613 4.983 18.038 1.00 0.00 O ATOM 491 CB GLU A 34 7.271 4.902 17.063 1.00 0.00 C ATOM 492 CG GLU A 34 5.940 5.603 17.273 1.00 0.00 C ATOM 493 CD GLU A 34 5.822 6.234 18.645 1.00 0.00 C ATOM 494 OE1 GLU A 34 5.944 5.511 19.653 1.00 0.00 O ATOM 495 OE2 GLU A 34 5.595 7.456 18.728 1.00 0.00 O ATOM 0 H GLU A 34 7.992 6.772 15.503 1.00 0.00 H new ATOM 0 HA GLU A 34 8.454 6.196 18.321 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.312 4.514 16.045 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.331 4.044 17.733 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.815 6.373 16.512 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.131 4.886 17.137 1.00 0.00 H new ATOM 502 N GLU A 35 9.912 4.350 15.993 1.00 0.00 N ATOM 503 CA GLU A 35 11.080 3.521 15.705 1.00 0.00 C ATOM 504 C GLU A 35 12.347 4.361 15.613 1.00 0.00 C ATOM 505 O GLU A 35 13.420 3.926 16.029 1.00 0.00 O ATOM 506 CB GLU A 35 10.883 2.753 14.393 1.00 0.00 C ATOM 507 CG GLU A 35 9.532 2.070 14.278 1.00 0.00 C ATOM 508 CD GLU A 35 9.436 0.805 15.108 1.00 0.00 C ATOM 509 OE1 GLU A 35 10.295 0.595 15.987 1.00 0.00 O ATOM 510 OE2 GLU A 35 8.495 0.016 14.886 1.00 0.00 O ATOM 0 H GLU A 35 9.226 4.379 15.239 1.00 0.00 H new ATOM 0 HA GLU A 35 11.190 2.814 16.527 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.003 3.443 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.668 2.002 14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.752 2.764 14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.341 1.828 13.233 1.00 0.00 H new ATOM 517 N ASP A 36 12.210 5.560 15.043 1.00 0.00 N ATOM 518 CA ASP A 36 13.333 6.495 14.878 1.00 0.00 C ATOM 519 C ASP A 36 14.373 5.957 13.899 1.00 0.00 C ATOM 520 O ASP A 36 15.514 6.417 13.874 1.00 0.00 O ATOM 521 CB ASP A 36 13.996 6.804 16.227 1.00 0.00 C ATOM 522 CG ASP A 36 13.861 8.259 16.623 1.00 0.00 C ATOM 523 OD1 ASP A 36 14.217 9.139 15.813 1.00 0.00 O ATOM 524 OD2 ASP A 36 13.399 8.532 17.753 1.00 0.00 O ATOM 0 H ASP A 36 11.323 5.912 14.683 1.00 0.00 H new ATOM 0 HA ASP A 36 12.923 7.418 14.468 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.549 6.178 16.999 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.053 6.542 16.177 1.00 0.00 H new ATOM 529 N GLU A 37 13.976 4.983 13.091 1.00 0.00 N ATOM 530 CA GLU A 37 14.880 4.390 12.113 1.00 0.00 C ATOM 531 C GLU A 37 14.307 4.488 10.707 1.00 0.00 C ATOM 532 O GLU A 37 14.952 4.092 9.736 1.00 0.00 O ATOM 533 CB GLU A 37 15.158 2.931 12.468 1.00 0.00 C ATOM 534 CG GLU A 37 13.896 2.102 12.634 1.00 0.00 C ATOM 535 CD GLU A 37 14.191 0.676 13.036 1.00 0.00 C ATOM 536 OE1 GLU A 37 14.598 0.454 14.196 1.00 0.00 O ATOM 537 OE2 GLU A 37 14.015 -0.229 12.199 1.00 0.00 O ATOM 0 H GLU A 37 13.036 4.587 13.093 1.00 0.00 H new ATOM 0 HA GLU A 37 15.817 4.947 12.137 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.777 2.486 11.689 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.734 2.893 13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.258 2.564 13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.338 2.104 11.698 1.00 0.00 H new ATOM 544 N SER A 38 13.087 5.010 10.624 1.00 0.00 N ATOM 545 CA SER A 38 12.359 5.196 9.361 1.00 0.00 C ATOM 546 C SER A 38 11.946 3.867 8.698 1.00 0.00 C ATOM 547 O SER A 38 10.891 3.790 8.072 1.00 0.00 O ATOM 548 CB SER A 38 13.187 6.043 8.396 1.00 0.00 C ATOM 549 OG SER A 38 13.722 7.183 9.048 1.00 0.00 O ATOM 0 H SER A 38 12.563 5.322 11.442 1.00 0.00 H new ATOM 0 HA SER A 38 11.434 5.718 9.604 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.998 5.442 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.565 6.358 7.558 1.00 0.00 H new ATOM 0 HG SER A 38 14.249 7.708 8.410 1.00 0.00 H new ATOM 555 N ALA A 39 12.782 2.841 8.826 1.00 0.00 N ATOM 556 CA ALA A 39 12.506 1.525 8.256 1.00 0.00 C ATOM 557 C ALA A 39 11.150 0.977 8.700 1.00 0.00 C ATOM 558 O ALA A 39 10.797 1.028 9.883 1.00 0.00 O ATOM 559 CB ALA A 39 13.610 0.557 8.644 1.00 0.00 C ATOM 0 H ALA A 39 13.669 2.898 9.327 1.00 0.00 H new ATOM 0 HA ALA A 39 12.473 1.635 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.401 -0.424 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.564 0.922 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.659 0.477 9.730 1.00 0.00 H new ATOM 565 N LEU A 40 10.403 0.445 7.741 1.00 0.00 N ATOM 566 CA LEU A 40 9.086 -0.116 8.004 1.00 0.00 C ATOM 567 C LEU A 40 8.907 -1.447 7.274 1.00 0.00 C ATOM 568 O LEU A 40 9.791 -1.886 6.532 1.00 0.00 O ATOM 569 CB LEU A 40 7.989 0.876 7.587 1.00 0.00 C ATOM 570 CG LEU A 40 8.403 1.925 6.546 1.00 0.00 C ATOM 571 CD1 LEU A 40 8.411 1.331 5.144 1.00 0.00 C ATOM 572 CD2 LEU A 40 7.477 3.130 6.608 1.00 0.00 C ATOM 0 H LEU A 40 10.692 0.391 6.764 1.00 0.00 H new ATOM 0 HA LEU A 40 9.001 -0.301 9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.145 0.311 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.636 1.395 8.478 1.00 0.00 H new ATOM 0 HG LEU A 40 9.416 2.251 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.708 2.096 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.118 0.502 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.413 0.969 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.785 3.864 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.454 2.814 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.528 3.577 7.601 1.00 0.00 H new ATOM 584 N LYS A 41 7.765 -2.090 7.493 1.00 0.00 N ATOM 585 CA LYS A 41 7.472 -3.366 6.851 1.00 0.00 C ATOM 586 C LYS A 41 6.670 -3.140 5.573 1.00 0.00 C ATOM 587 O LYS A 41 5.660 -2.434 5.586 1.00 0.00 O ATOM 588 CB LYS A 41 6.695 -4.282 7.794 1.00 0.00 C ATOM 589 CG LYS A 41 7.292 -4.394 9.188 1.00 0.00 C ATOM 590 CD LYS A 41 6.529 -5.406 10.028 1.00 0.00 C ATOM 591 CE LYS A 41 6.823 -5.245 11.509 1.00 0.00 C ATOM 592 NZ LYS A 41 6.317 -3.951 12.036 1.00 0.00 N ATOM 0 H LYS A 41 7.028 -1.749 8.110 1.00 0.00 H new ATOM 0 HA LYS A 41 8.418 -3.846 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.672 -3.915 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.641 -5.277 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.338 -4.691 9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.269 -3.420 9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.459 -5.289 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.795 -6.415 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.366 -6.066 12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.898 -5.309 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.116 -3.376 12.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.816 -3.441 11.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.664 -4.129 12.826 1.00 0.00 H new ATOM 606 N ARG A 42 7.116 -3.754 4.488 1.00 0.00 N ATOM 607 CA ARG A 42 6.472 -3.611 3.185 1.00 0.00 C ATOM 608 C ARG A 42 5.009 -4.067 3.186 1.00 0.00 C ATOM 609 O ARG A 42 4.106 -3.267 2.935 1.00 0.00 O ATOM 610 CB ARG A 42 7.259 -4.397 2.134 1.00 0.00 C ATOM 611 CG ARG A 42 6.658 -4.321 0.744 1.00 0.00 C ATOM 612 CD ARG A 42 7.379 -5.238 -0.224 1.00 0.00 C ATOM 613 NE ARG A 42 6.734 -5.258 -1.532 1.00 0.00 N ATOM 614 CZ ARG A 42 7.352 -5.612 -2.657 1.00 0.00 C ATOM 615 NH1 ARG A 42 8.633 -5.981 -2.630 1.00 0.00 N ATOM 616 NH2 ARG A 42 6.691 -5.596 -3.811 1.00 0.00 N ATOM 0 H ARG A 42 7.933 -4.365 4.482 1.00 0.00 H new ATOM 0 HA ARG A 42 6.471 -2.548 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.281 -4.020 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.315 -5.442 2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.603 -4.593 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.708 -3.295 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.413 -4.911 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.406 -6.249 0.184 1.00 0.00 H new ATOM 0 HE ARG A 42 5.753 -4.985 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.142 -5.993 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.104 -6.252 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.711 -5.313 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.164 -5.867 -4.673 1.00 0.00 H new ATOM 630 N SER A 43 4.773 -5.341 3.475 1.00 0.00 N ATOM 631 CA SER A 43 3.416 -5.883 3.471 1.00 0.00 C ATOM 632 C SER A 43 2.546 -5.249 4.552 1.00 0.00 C ATOM 633 O SER A 43 1.345 -5.067 4.357 1.00 0.00 O ATOM 634 CB SER A 43 3.452 -7.400 3.641 1.00 0.00 C ATOM 635 OG SER A 43 4.521 -7.962 2.896 1.00 0.00 O ATOM 0 H SER A 43 5.498 -6.017 3.714 1.00 0.00 H new ATOM 0 HA SER A 43 2.968 -5.640 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.566 -7.650 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.506 -7.831 3.312 1.00 0.00 H new ATOM 0 HG SER A 43 4.529 -8.934 3.018 1.00 0.00 H new ATOM 641 N GLU A 44 3.153 -4.905 5.684 1.00 0.00 N ATOM 642 CA GLU A 44 2.423 -4.288 6.785 1.00 0.00 C ATOM 643 C GLU A 44 1.820 -2.953 6.358 1.00 0.00 C ATOM 644 O GLU A 44 0.718 -2.611 6.777 1.00 0.00 O ATOM 645 CB GLU A 44 3.331 -4.093 8.003 1.00 0.00 C ATOM 646 CG GLU A 44 2.610 -3.525 9.218 1.00 0.00 C ATOM 647 CD GLU A 44 3.439 -3.607 10.480 1.00 0.00 C ATOM 648 OE1 GLU A 44 4.293 -2.720 10.699 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.243 -4.557 11.265 1.00 0.00 O ATOM 0 H GLU A 44 4.148 -5.043 5.862 1.00 0.00 H new ATOM 0 HA GLU A 44 1.612 -4.961 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.776 -5.051 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.149 -3.426 7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.349 -2.484 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.675 -4.066 9.366 1.00 0.00 H new ATOM 656 N LEU A 45 2.543 -2.215 5.511 1.00 0.00 N ATOM 657 CA LEU A 45 2.078 -0.917 5.017 1.00 0.00 C ATOM 658 C LEU A 45 0.685 -1.033 4.410 1.00 0.00 C ATOM 659 O LEU A 45 -0.248 -0.350 4.833 1.00 0.00 O ATOM 660 CB LEU A 45 3.042 -0.368 3.965 1.00 0.00 C ATOM 661 CG LEU A 45 4.371 0.150 4.503 1.00 0.00 C ATOM 662 CD1 LEU A 45 5.379 0.284 3.375 1.00 0.00 C ATOM 663 CD2 LEU A 45 4.172 1.485 5.202 1.00 0.00 C ATOM 0 H LEU A 45 3.456 -2.496 5.152 1.00 0.00 H new ATOM 0 HA LEU A 45 2.040 -0.234 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.245 -1.154 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.546 0.441 3.429 1.00 0.00 H new ATOM 0 HG LEU A 45 4.758 -0.565 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.323 0.655 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.538 -0.690 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.000 0.983 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.129 1.843 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.768 2.209 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.476 1.361 6.032 1.00 0.00 H new ATOM 675 N VAL A 46 0.555 -1.897 3.417 1.00 0.00 N ATOM 676 CA VAL A 46 -0.722 -2.102 2.755 1.00 0.00 C ATOM 677 C VAL A 46 -1.682 -2.873 3.663 1.00 0.00 C ATOM 678 O VAL A 46 -2.892 -2.660 3.621 1.00 0.00 O ATOM 679 CB VAL A 46 -0.546 -2.826 1.392 1.00 0.00 C ATOM 680 CG1 VAL A 46 0.470 -3.954 1.480 1.00 0.00 C ATOM 681 CG2 VAL A 46 -1.872 -3.355 0.864 1.00 0.00 C ATOM 0 H VAL A 46 1.318 -2.467 3.052 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.153 -1.122 2.552 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.169 -2.082 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.564 -4.435 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.437 -3.550 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.138 -4.686 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.710 -3.855 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.291 -4.064 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.566 -2.526 0.726 1.00 0.00 H new ATOM 691 N ASN A 47 -1.119 -3.735 4.503 1.00 0.00 N ATOM 692 CA ASN A 47 -1.899 -4.556 5.430 1.00 0.00 C ATOM 693 C ASN A 47 -2.896 -3.725 6.237 1.00 0.00 C ATOM 694 O ASN A 47 -4.105 -3.935 6.134 1.00 0.00 O ATOM 695 CB ASN A 47 -0.970 -5.306 6.393 1.00 0.00 C ATOM 696 CG ASN A 47 -1.725 -6.024 7.497 1.00 0.00 C ATOM 697 OD1 ASN A 47 -2.803 -6.580 7.280 1.00 0.00 O ATOM 698 ND2 ASN A 47 -1.167 -6.007 8.696 1.00 0.00 N ATOM 0 H ASN A 47 -0.112 -3.886 4.563 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.461 -5.268 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.380 -6.031 5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.269 -4.600 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.631 -6.465 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.273 -5.536 8.836 1.00 0.00 H new ATOM 705 N TRP A 48 -2.397 -2.769 7.024 1.00 0.00 N ATOM 706 CA TRP A 48 -3.281 -1.950 7.846 1.00 0.00 C ATOM 707 C TRP A 48 -4.106 -1.000 6.990 1.00 0.00 C ATOM 708 O TRP A 48 -5.227 -0.654 7.354 1.00 0.00 O ATOM 709 CB TRP A 48 -2.515 -1.195 8.949 1.00 0.00 C ATOM 710 CG TRP A 48 -1.575 -0.128 8.473 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.246 -0.273 8.218 1.00 0.00 C ATOM 712 CD2 TRP A 48 -1.880 1.254 8.239 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.292 0.923 7.819 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.689 1.875 7.821 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.045 2.023 8.327 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.629 3.227 7.501 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -2.984 3.365 8.005 1.00 0.00 C ATOM 718 CH2 TRP A 48 -1.782 3.955 7.595 1.00 0.00 C ATOM 0 H TRP A 48 -1.405 -2.548 7.107 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.970 -2.629 8.349 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.240 -0.740 9.623 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.947 -1.920 9.533 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.305 -1.197 8.316 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.267 1.078 7.562 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.976 1.575 8.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.297 3.686 7.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.877 3.969 8.070 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.766 5.006 7.348 1.00 0.00 H new ATOM 729 N TYR A 49 -3.561 -0.600 5.845 1.00 0.00 N ATOM 730 CA TYR A 49 -4.266 0.298 4.934 1.00 0.00 C ATOM 731 C TYR A 49 -5.610 -0.303 4.561 1.00 0.00 C ATOM 732 O TYR A 49 -6.646 0.362 4.614 1.00 0.00 O ATOM 733 CB TYR A 49 -3.445 0.537 3.661 1.00 0.00 C ATOM 734 CG TYR A 49 -4.010 1.624 2.764 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.125 2.934 3.220 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.425 1.345 1.460 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.635 3.927 2.411 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.934 2.338 0.650 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.037 3.625 1.130 1.00 0.00 C ATOM 740 OH TYR A 49 -5.538 4.617 0.323 1.00 0.00 O ATOM 0 H TYR A 49 -2.634 -0.883 5.526 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.415 1.253 5.439 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.426 0.803 3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.387 -0.394 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.810 3.177 4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.346 0.337 1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.719 4.938 2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.251 2.108 -0.357 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.295 4.268 -0.192 1.00 0.00 H new ATOM 750 N LEU A 50 -5.580 -1.579 4.217 1.00 0.00 N ATOM 751 CA LEU A 50 -6.778 -2.297 3.831 1.00 0.00 C ATOM 752 C LEU A 50 -7.687 -2.496 5.026 1.00 0.00 C ATOM 753 O LEU A 50 -8.884 -2.291 4.934 1.00 0.00 O ATOM 754 CB LEU A 50 -6.414 -3.652 3.233 1.00 0.00 C ATOM 755 CG LEU A 50 -5.245 -3.624 2.257 1.00 0.00 C ATOM 756 CD1 LEU A 50 -4.764 -5.035 1.963 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.635 -2.898 0.979 1.00 0.00 C ATOM 0 H LEU A 50 -4.729 -2.142 4.198 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.303 -1.705 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.176 -4.340 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.288 -4.054 2.721 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.421 -3.077 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.929 -4.996 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.440 -5.510 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.578 -5.613 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.788 -2.888 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.475 -3.412 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.923 -1.874 1.216 1.00 0.00 H new ATOM 769 N LYS A 51 -7.094 -2.858 6.152 1.00 0.00 N ATOM 770 CA LYS A 51 -7.839 -3.112 7.381 1.00 0.00 C ATOM 771 C LYS A 51 -8.636 -1.892 7.843 1.00 0.00 C ATOM 772 O LYS A 51 -9.681 -2.026 8.478 1.00 0.00 O ATOM 773 CB LYS A 51 -6.875 -3.548 8.484 1.00 0.00 C ATOM 774 CG LYS A 51 -6.202 -4.878 8.206 1.00 0.00 C ATOM 775 CD LYS A 51 -7.206 -5.903 7.715 1.00 0.00 C ATOM 776 CE LYS A 51 -6.607 -6.811 6.658 1.00 0.00 C ATOM 777 NZ LYS A 51 -5.415 -7.541 7.156 1.00 0.00 N ATOM 0 H LYS A 51 -6.086 -2.985 6.243 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.556 -3.906 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.110 -2.782 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.419 -3.615 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.419 -4.744 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.719 -5.242 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.555 -6.503 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.077 -5.392 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.359 -7.528 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.330 -6.218 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.282 -8.409 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.574 -6.937 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.553 -7.789 8.157 1.00 0.00 H new ATOM 791 N GLU A 52 -8.131 -0.714 7.528 1.00 0.00 N ATOM 792 CA GLU A 52 -8.784 0.531 7.919 1.00 0.00 C ATOM 793 C GLU A 52 -9.869 0.935 6.925 1.00 0.00 C ATOM 794 O GLU A 52 -10.970 1.327 7.313 1.00 0.00 O ATOM 795 CB GLU A 52 -7.759 1.663 8.045 1.00 0.00 C ATOM 796 CG GLU A 52 -6.651 1.392 9.050 1.00 0.00 C ATOM 797 CD GLU A 52 -7.050 1.707 10.475 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.004 2.892 10.862 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.388 0.772 11.226 1.00 0.00 O ATOM 0 H GLU A 52 -7.267 -0.588 7.000 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.253 0.357 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.311 1.843 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.278 2.578 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.358 0.344 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.776 1.985 8.785 1.00 0.00 H new ATOM 806 N ILE A 53 -9.561 0.839 5.641 1.00 0.00 N ATOM 807 CA ILE A 53 -10.507 1.235 4.606 1.00 0.00 C ATOM 808 C ILE A 53 -11.547 0.157 4.314 1.00 0.00 C ATOM 809 O ILE A 53 -12.629 0.459 3.827 1.00 0.00 O ATOM 810 CB ILE A 53 -9.790 1.605 3.289 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.088 0.380 2.692 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.794 2.731 3.531 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.516 0.620 1.312 1.00 0.00 C ATOM 0 H ILE A 53 -8.668 0.492 5.290 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.020 2.112 5.002 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.536 1.949 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.284 0.071 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.797 -0.446 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.295 2.983 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.320 3.607 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.053 2.410 4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.035 -0.290 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.318 0.899 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.782 1.425 1.357 1.00 0.00 H new ATOM 825 N GLU A 54 -11.240 -1.092 4.644 1.00 0.00 N ATOM 826 CA GLU A 54 -12.150 -2.205 4.362 1.00 0.00 C ATOM 827 C GLU A 54 -13.502 -2.029 5.049 1.00 0.00 C ATOM 828 O GLU A 54 -14.518 -2.542 4.579 1.00 0.00 O ATOM 829 CB GLU A 54 -11.513 -3.538 4.766 1.00 0.00 C ATOM 830 CG GLU A 54 -11.498 -3.801 6.262 1.00 0.00 C ATOM 831 CD GLU A 54 -11.337 -5.273 6.588 1.00 0.00 C ATOM 832 OE1 GLU A 54 -10.305 -5.865 6.210 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.250 -5.844 7.226 1.00 0.00 O ATOM 0 H GLU A 54 -10.372 -1.363 5.106 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.330 -2.211 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.051 -4.348 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.488 -3.564 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.683 -3.239 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.425 -3.433 6.702 1.00 0.00 H new ATOM 840 N SER A 55 -13.517 -1.286 6.141 1.00 0.00 N ATOM 841 CA SER A 55 -14.741 -1.050 6.883 1.00 0.00 C ATOM 842 C SER A 55 -15.630 -0.015 6.185 1.00 0.00 C ATOM 843 O SER A 55 -16.844 0.014 6.402 1.00 0.00 O ATOM 844 CB SER A 55 -14.389 -0.589 8.293 1.00 0.00 C ATOM 845 OG SER A 55 -13.270 -1.308 8.786 1.00 0.00 O ATOM 0 H SER A 55 -12.691 -0.834 6.534 1.00 0.00 H new ATOM 0 HA SER A 55 -15.306 -1.981 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.169 0.479 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.243 -0.736 8.954 1.00 0.00 H new ATOM 0 HG SER A 55 -13.056 -0.999 9.691 1.00 0.00 H new ATOM 851 N GLU A 56 -15.037 0.814 5.331 1.00 0.00 N ATOM 852 CA GLU A 56 -15.800 1.838 4.629 1.00 0.00 C ATOM 853 C GLU A 56 -16.048 1.429 3.183 1.00 0.00 C ATOM 854 O GLU A 56 -17.005 1.888 2.557 1.00 0.00 O ATOM 855 CB GLU A 56 -15.089 3.197 4.690 1.00 0.00 C ATOM 856 CG GLU A 56 -13.764 3.239 3.948 1.00 0.00 C ATOM 857 CD GLU A 56 -13.168 4.628 3.898 1.00 0.00 C ATOM 858 OE1 GLU A 56 -12.495 5.025 4.870 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.383 5.332 2.890 1.00 0.00 O ATOM 0 H GLU A 56 -14.041 0.797 5.111 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.763 1.938 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.749 3.959 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.917 3.458 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.059 2.563 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.910 2.874 2.931 1.00 0.00 H new ATOM 866 N ILE A 57 -15.189 0.559 2.660 1.00 0.00 N ATOM 867 CA ILE A 57 -15.319 0.083 1.290 1.00 0.00 C ATOM 868 C ILE A 57 -16.601 -0.720 1.119 1.00 0.00 C ATOM 869 O ILE A 57 -16.788 -1.768 1.749 1.00 0.00 O ATOM 870 CB ILE A 57 -14.122 -0.798 0.869 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.807 -0.018 0.946 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.327 -1.348 -0.529 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.801 1.260 0.139 1.00 0.00 C ATOM 0 H ILE A 57 -14.394 0.170 3.167 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.344 0.967 0.653 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.062 -1.633 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.600 0.222 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.996 -0.658 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.473 -1.966 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.234 -1.952 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.422 -0.523 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.835 1.753 0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.975 1.028 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.588 1.922 0.500 1.00 0.00 H new ATOM 885 N ASP A 58 -17.469 -0.234 0.256 1.00 0.00 N ATOM 886 CA ASP A 58 -18.738 -0.891 -0.010 1.00 0.00 C ATOM 887 C ASP A 58 -18.651 -1.690 -1.297 1.00 0.00 C ATOM 888 O ASP A 58 -19.339 -2.689 -1.469 1.00 0.00 O ATOM 889 CB ASP A 58 -19.857 0.149 -0.098 1.00 0.00 C ATOM 890 CG ASP A 58 -21.188 -0.446 -0.514 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.787 -1.201 0.283 1.00 0.00 O ATOM 892 OD2 ASP A 58 -21.649 -0.155 -1.637 1.00 0.00 O ATOM 0 H ASP A 58 -17.319 0.621 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.963 -1.576 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.970 0.636 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.572 0.922 -0.812 1.00 0.00 H new ATOM 897 N SER A 59 -17.755 -1.279 -2.174 1.00 0.00 N ATOM 898 CA SER A 59 -17.597 -1.947 -3.450 1.00 0.00 C ATOM 899 C SER A 59 -16.351 -2.813 -3.450 1.00 0.00 C ATOM 900 O SER A 59 -15.267 -2.359 -3.089 1.00 0.00 O ATOM 901 CB SER A 59 -17.514 -0.910 -4.569 1.00 0.00 C ATOM 902 OG SER A 59 -18.352 0.201 -4.290 1.00 0.00 O ATOM 0 H SER A 59 -17.128 -0.488 -2.026 1.00 0.00 H new ATOM 0 HA SER A 59 -18.462 -2.589 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.483 -0.574 -4.684 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.808 -1.365 -5.515 1.00 0.00 H new ATOM 0 HG SER A 59 -18.283 0.854 -5.018 1.00 0.00 H new ATOM 908 N GLU A 60 -16.509 -4.059 -3.861 1.00 0.00 N ATOM 909 CA GLU A 60 -15.395 -4.991 -3.932 1.00 0.00 C ATOM 910 C GLU A 60 -14.345 -4.427 -4.876 1.00 0.00 C ATOM 911 O GLU A 60 -13.142 -4.569 -4.652 1.00 0.00 O ATOM 912 CB GLU A 60 -15.899 -6.348 -4.417 1.00 0.00 C ATOM 913 CG GLU A 60 -14.811 -7.382 -4.639 1.00 0.00 C ATOM 914 CD GLU A 60 -15.160 -8.329 -5.764 1.00 0.00 C ATOM 915 OE1 GLU A 60 -14.941 -7.968 -6.939 1.00 0.00 O ATOM 916 OE2 GLU A 60 -15.674 -9.432 -5.486 1.00 0.00 O ATOM 0 H GLU A 60 -17.404 -4.452 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.946 -5.127 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.610 -6.738 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.444 -6.206 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.871 -6.878 -4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.655 -7.949 -3.721 1.00 0.00 H new ATOM 923 N GLU A 61 -14.829 -3.750 -5.908 1.00 0.00 N ATOM 924 CA GLU A 61 -13.975 -3.120 -6.899 1.00 0.00 C ATOM 925 C GLU A 61 -13.022 -2.141 -6.225 1.00 0.00 C ATOM 926 O GLU A 61 -11.833 -2.113 -6.528 1.00 0.00 O ATOM 927 CB GLU A 61 -14.824 -2.383 -7.935 1.00 0.00 C ATOM 928 CG GLU A 61 -15.786 -3.281 -8.700 1.00 0.00 C ATOM 929 CD GLU A 61 -17.126 -3.441 -8.008 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.225 -4.261 -7.072 1.00 0.00 O ATOM 931 OE2 GLU A 61 -18.089 -2.748 -8.398 1.00 0.00 O ATOM 0 H GLU A 61 -15.826 -3.623 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.394 -3.894 -7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.394 -1.602 -7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.162 -1.888 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.945 -2.868 -9.696 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.331 -4.263 -8.831 1.00 0.00 H new ATOM 938 N GLU A 62 -13.559 -1.352 -5.300 1.00 0.00 N ATOM 939 CA GLU A 62 -12.768 -0.373 -4.556 1.00 0.00 C ATOM 940 C GLU A 62 -11.685 -1.056 -3.735 1.00 0.00 C ATOM 941 O GLU A 62 -10.526 -0.655 -3.764 1.00 0.00 O ATOM 942 CB GLU A 62 -13.657 0.436 -3.615 1.00 0.00 C ATOM 943 CG GLU A 62 -14.402 1.568 -4.289 1.00 0.00 C ATOM 944 CD GLU A 62 -13.523 2.782 -4.549 1.00 0.00 C ATOM 945 OE1 GLU A 62 -12.286 2.625 -4.693 1.00 0.00 O ATOM 946 OE2 GLU A 62 -14.065 3.906 -4.619 1.00 0.00 O ATOM 0 H GLU A 62 -14.546 -1.371 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.304 0.291 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.380 -0.234 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.042 0.846 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.813 1.214 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.246 1.863 -3.665 1.00 0.00 H new ATOM 953 N LEU A 63 -12.075 -2.093 -3.007 1.00 0.00 N ATOM 954 CA LEU A 63 -11.139 -2.828 -2.163 1.00 0.00 C ATOM 955 C LEU A 63 -10.031 -3.458 -2.990 1.00 0.00 C ATOM 956 O LEU A 63 -8.889 -3.562 -2.536 1.00 0.00 O ATOM 957 CB LEU A 63 -11.863 -3.895 -1.351 1.00 0.00 C ATOM 958 CG LEU A 63 -11.095 -4.380 -0.124 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.797 -3.218 0.811 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.884 -5.457 0.598 1.00 0.00 C ATOM 0 H LEU A 63 -13.032 -2.445 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.687 -2.115 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.826 -3.499 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.069 -4.749 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.147 -4.806 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.249 -3.582 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.195 -2.475 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.733 -2.763 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.325 -5.794 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.845 -5.052 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.050 -6.299 -0.074 1.00 0.00 H new ATOM 972 N ILE A 64 -10.376 -3.900 -4.187 1.00 0.00 N ATOM 973 CA ILE A 64 -9.398 -4.487 -5.089 1.00 0.00 C ATOM 974 C ILE A 64 -8.533 -3.387 -5.704 1.00 0.00 C ATOM 975 O ILE A 64 -7.309 -3.496 -5.743 1.00 0.00 O ATOM 976 CB ILE A 64 -10.081 -5.320 -6.201 1.00 0.00 C ATOM 977 CG1 ILE A 64 -10.812 -6.511 -5.580 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.059 -5.797 -7.226 1.00 0.00 C ATOM 979 CD1 ILE A 64 -11.746 -7.221 -6.533 1.00 0.00 C ATOM 0 H ILE A 64 -11.326 -3.864 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.766 -5.162 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.804 -4.688 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.075 -7.224 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.382 -6.165 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.562 -6.380 -7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.572 -4.935 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.311 -6.417 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.227 -8.053 -6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -12.506 -6.524 -6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.179 -7.599 -7.384 1.00 0.00 H new ATOM 991 N ASN A 65 -9.183 -2.315 -6.144 1.00 0.00 N ATOM 992 CA ASN A 65 -8.498 -1.177 -6.755 1.00 0.00 C ATOM 993 C ASN A 65 -7.533 -0.510 -5.773 1.00 0.00 C ATOM 994 O ASN A 65 -6.358 -0.319 -6.089 1.00 0.00 O ATOM 995 CB ASN A 65 -9.536 -0.168 -7.268 1.00 0.00 C ATOM 996 CG ASN A 65 -9.001 1.246 -7.372 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.383 1.624 -8.367 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.266 2.045 -6.352 1.00 0.00 N ATOM 0 H ASN A 65 -10.196 -2.209 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.904 -1.541 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.889 -0.488 -8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.398 -0.174 -6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.955 3.016 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.781 1.690 -5.547 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.027 -0.173 -4.581 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.202 0.469 -3.558 1.00 0.00 C ATOM 1007 C LYS A 66 -6.015 -0.418 -3.209 1.00 0.00 C ATOM 1008 O LYS A 66 -4.895 0.063 -3.054 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.030 0.767 -2.304 1.00 0.00 C ATOM 1010 CG LYS A 66 -9.080 1.855 -2.497 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.446 3.213 -2.755 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.471 4.336 -2.675 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.361 4.387 -3.870 1.00 0.00 N ATOM 0 H LYS A 66 -8.994 -0.334 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.831 1.414 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.526 -0.149 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.357 1.064 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.727 1.591 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.712 1.911 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.655 3.390 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.979 3.216 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.079 4.205 -1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.953 5.289 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.860 5.299 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.790 4.283 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.055 3.614 -3.819 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.274 -1.720 -3.105 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.232 -2.688 -2.798 1.00 0.00 C ATOM 1029 C LYS A 67 -4.203 -2.731 -3.919 1.00 0.00 C ATOM 1030 O LYS A 67 -3.002 -2.774 -3.674 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.852 -4.067 -2.614 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.013 -5.019 -1.785 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.705 -6.359 -1.629 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.688 -6.381 -0.463 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.597 -5.200 -0.433 1.00 0.00 N ATOM 0 H LYS A 67 -7.201 -2.126 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.733 -2.389 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.828 -3.954 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.022 -4.510 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.042 -5.160 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.828 -4.585 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.235 -6.599 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.955 -7.136 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.287 -7.290 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.130 -6.425 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.204 -5.250 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.032 -4.328 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.190 -5.197 -1.287 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.691 -2.720 -5.148 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.827 -2.755 -6.313 1.00 0.00 C ATOM 1051 C ARG A 68 -2.924 -1.529 -6.349 1.00 0.00 C ATOM 1052 O ARG A 68 -1.717 -1.648 -6.536 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.668 -2.819 -7.590 1.00 0.00 C ATOM 1054 CG ARG A 68 -3.846 -2.898 -8.866 1.00 0.00 C ATOM 1055 CD ARG A 68 -4.676 -2.527 -10.085 1.00 0.00 C ATOM 1056 NE ARG A 68 -4.990 -1.095 -10.127 1.00 0.00 N ATOM 1057 CZ ARG A 68 -6.226 -0.597 -10.091 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -7.271 -1.405 -9.989 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -6.413 0.713 -10.152 1.00 0.00 N ATOM 0 H ARG A 68 -5.687 -2.687 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.202 -3.646 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.324 -3.688 -7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.308 -1.938 -7.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.989 -2.229 -8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.453 -3.908 -8.985 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.135 -2.805 -10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.603 -3.100 -10.079 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.212 -0.438 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.132 -2.414 -9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.214 -1.018 -9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.612 1.340 -10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.358 1.095 -10.125 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.514 -0.358 -6.144 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.769 0.892 -6.173 1.00 0.00 C ATOM 1075 C ILE A 69 -1.717 0.954 -5.075 1.00 0.00 C ATOM 1076 O ILE A 69 -0.547 1.193 -5.359 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.693 2.121 -6.047 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.692 2.165 -7.205 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.866 3.400 -6.013 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.508 3.437 -7.247 1.00 0.00 C ATOM 0 H ILE A 69 -4.510 -0.249 -5.955 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.274 0.917 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.251 2.039 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.151 2.058 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.366 1.312 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.530 4.260 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.190 3.373 -5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.286 3.483 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.195 3.401 -8.092 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.076 3.536 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.842 4.293 -7.357 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.124 0.728 -3.830 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.190 0.792 -2.709 1.00 0.00 C ATOM 1094 C ILE A 70 0.003 -0.147 -2.922 1.00 0.00 C ATOM 1095 O ILE A 70 1.152 0.247 -2.717 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.889 0.513 -1.354 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.916 0.744 -0.198 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.463 -0.892 -1.295 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.472 2.183 -0.066 1.00 0.00 C ATOM 0 H ILE A 70 -3.084 0.501 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.809 1.812 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.722 1.210 -1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.388 0.430 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.039 0.112 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.944 -1.048 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.197 -1.019 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.660 -1.619 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.217 2.276 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.029 2.495 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.341 2.818 0.106 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.269 -1.365 -3.371 1.00 0.00 N ATOM 1112 CA GLU A 71 0.784 -2.341 -3.635 1.00 0.00 C ATOM 1113 C GLU A 71 1.660 -1.879 -4.782 1.00 0.00 C ATOM 1114 O GLU A 71 2.889 -1.902 -4.696 1.00 0.00 O ATOM 1115 CB GLU A 71 0.174 -3.688 -3.987 1.00 0.00 C ATOM 1116 CG GLU A 71 -0.392 -4.407 -2.791 1.00 0.00 C ATOM 1117 CD GLU A 71 0.653 -5.231 -2.070 1.00 0.00 C ATOM 1118 OE1 GLU A 71 1.855 -5.082 -2.389 1.00 0.00 O ATOM 1119 OE2 GLU A 71 0.280 -6.055 -1.209 1.00 0.00 O ATOM 0 H GLU A 71 -1.212 -1.703 -3.561 1.00 0.00 H new ATOM 0 HA GLU A 71 1.391 -2.438 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.616 -3.542 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.934 -4.314 -4.455 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.818 -3.679 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.206 -5.057 -3.112 1.00 0.00 H new ATOM 1126 N LYS A 72 1.010 -1.481 -5.863 1.00 0.00 N ATOM 1127 CA LYS A 72 1.712 -0.999 -7.051 1.00 0.00 C ATOM 1128 C LYS A 72 2.608 0.187 -6.712 1.00 0.00 C ATOM 1129 O LYS A 72 3.736 0.276 -7.195 1.00 0.00 O ATOM 1130 CB LYS A 72 0.723 -0.613 -8.149 1.00 0.00 C ATOM 1131 CG LYS A 72 0.227 -1.811 -8.928 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.513 -1.400 -10.182 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.600 -2.558 -11.158 1.00 0.00 C ATOM 1134 NZ LYS A 72 0.721 -2.866 -11.769 1.00 0.00 N ATOM 0 H LYS A 72 -0.007 -1.481 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 72 2.339 -1.812 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.127 -0.096 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.200 0.089 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.072 -2.445 -9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.431 -2.408 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.516 -1.060 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.003 -0.559 -10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.976 -3.441 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.317 -2.318 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.579 -3.389 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.227 -1.979 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.281 -3.445 -11.111 1.00 0.00 H new ATOM 1148 N VAL A 73 2.100 1.085 -5.875 1.00 0.00 N ATOM 1149 CA VAL A 73 2.850 2.262 -5.457 1.00 0.00 C ATOM 1150 C VAL A 73 4.098 1.851 -4.679 1.00 0.00 C ATOM 1151 O VAL A 73 5.197 2.318 -4.978 1.00 0.00 O ATOM 1152 CB VAL A 73 1.972 3.218 -4.612 1.00 0.00 C ATOM 1153 CG1 VAL A 73 2.821 4.259 -3.889 1.00 0.00 C ATOM 1154 CG2 VAL A 73 0.932 3.900 -5.495 1.00 0.00 C ATOM 0 H VAL A 73 1.166 1.018 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 73 3.159 2.799 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 73 1.459 2.623 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.174 4.914 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.524 3.757 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.372 4.851 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.322 4.569 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.435 4.474 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.295 3.145 -5.956 1.00 0.00 H new ATOM 1164 N ILE A 74 3.931 0.966 -3.698 1.00 0.00 N ATOM 1165 CA ILE A 74 5.059 0.487 -2.901 1.00 0.00 C ATOM 1166 C ILE A 74 6.082 -0.204 -3.803 1.00 0.00 C ATOM 1167 O ILE A 74 7.288 0.025 -3.700 1.00 0.00 O ATOM 1168 CB ILE A 74 4.600 -0.496 -1.795 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.631 0.195 -0.832 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.800 -1.043 -1.030 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.939 -0.759 0.121 1.00 0.00 C ATOM 0 H ILE A 74 3.029 0.567 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 74 5.514 1.353 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 74 4.084 -1.329 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.177 0.941 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.877 0.729 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.456 -1.731 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.461 -1.570 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.342 -0.219 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.268 -0.199 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.365 -1.490 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.685 -1.275 0.725 1.00 0.00 H new ATOM 1183 N HIS A 75 5.577 -1.034 -4.704 1.00 0.00 N ATOM 1184 CA HIS A 75 6.417 -1.768 -5.640 1.00 0.00 C ATOM 1185 C HIS A 75 7.174 -0.812 -6.573 1.00 0.00 C ATOM 1186 O HIS A 75 8.346 -1.026 -6.874 1.00 0.00 O ATOM 1187 CB HIS A 75 5.550 -2.760 -6.438 1.00 0.00 C ATOM 1188 CG HIS A 75 6.029 -3.042 -7.832 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.091 -3.872 -8.113 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.579 -2.592 -9.029 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.283 -3.914 -9.419 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.375 -3.148 -9.998 1.00 0.00 N ATOM 0 H HIS A 75 4.579 -1.217 -4.807 1.00 0.00 H new ATOM 0 HA HIS A 75 7.167 -2.327 -5.080 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.502 -3.701 -5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.534 -2.370 -6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.748 -1.921 -9.190 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.051 -4.478 -9.927 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.281 -2.995 -11.002 1.00 0.00 H new ATOM 1201 N ARG A 76 6.501 0.239 -7.028 1.00 0.00 N ATOM 1202 CA ARG A 76 7.121 1.203 -7.929 1.00 0.00 C ATOM 1203 C ARG A 76 8.075 2.129 -7.180 1.00 0.00 C ATOM 1204 O ARG A 76 9.078 2.571 -7.737 1.00 0.00 O ATOM 1205 CB ARG A 76 6.053 2.027 -8.647 1.00 0.00 C ATOM 1206 CG ARG A 76 6.623 3.057 -9.612 1.00 0.00 C ATOM 1207 CD ARG A 76 5.687 4.239 -9.792 1.00 0.00 C ATOM 1208 NE ARG A 76 5.369 4.874 -8.518 1.00 0.00 N ATOM 1209 CZ ARG A 76 4.153 4.884 -7.982 1.00 0.00 C ATOM 1210 NH1 ARG A 76 3.150 4.262 -8.597 1.00 0.00 N ATOM 1211 NH2 ARG A 76 3.943 5.489 -6.822 1.00 0.00 N ATOM 0 H ARG A 76 5.531 0.445 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 76 7.697 0.644 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.394 1.353 -9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.440 2.538 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.586 3.409 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.806 2.588 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.147 4.969 -10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.767 3.905 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 76 6.123 5.337 -8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.315 3.778 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.217 4.269 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.715 5.948 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.009 5.496 -6.412 1.00 0.00 H new ATOM 1225 N LEU A 77 7.765 2.398 -5.916 1.00 0.00 N ATOM 1226 CA LEU A 77 8.586 3.275 -5.085 1.00 0.00 C ATOM 1227 C LEU A 77 10.026 2.765 -4.998 1.00 0.00 C ATOM 1228 O LEU A 77 10.974 3.552 -4.994 1.00 0.00 O ATOM 1229 CB LEU A 77 7.951 3.426 -3.690 1.00 0.00 C ATOM 1230 CG LEU A 77 8.769 2.910 -2.499 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.595 4.028 -1.889 1.00 0.00 C ATOM 1232 CD2 LEU A 77 7.853 2.302 -1.450 1.00 0.00 C ATOM 0 H LEU A 77 6.946 2.019 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 77 8.625 4.260 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.740 4.483 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.993 2.907 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 77 9.448 2.138 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.167 3.640 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.279 4.426 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.933 4.822 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.449 1.941 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.152 3.058 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.301 1.470 -1.887 1.00 0.00 H new ATOM 1244 N THR A 78 10.188 1.453 -4.948 1.00 0.00 N ATOM 1245 CA THR A 78 11.514 0.858 -4.880 1.00 0.00 C ATOM 1246 C THR A 78 12.035 0.500 -6.278 1.00 0.00 C ATOM 1247 O THR A 78 13.230 0.272 -6.467 1.00 0.00 O ATOM 1248 CB THR A 78 11.524 -0.396 -3.977 1.00 0.00 C ATOM 1249 OG1 THR A 78 12.817 -1.017 -3.993 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.470 -1.404 -4.416 1.00 0.00 C ATOM 0 H THR A 78 9.421 0.781 -4.953 1.00 0.00 H new ATOM 0 HA THR A 78 12.177 1.604 -4.442 1.00 0.00 H new ATOM 0 HB THR A 78 11.291 -0.071 -2.963 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.312 -0.722 -4.786 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.503 -2.274 -3.760 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.483 -0.946 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.669 -1.715 -5.442 1.00 0.00 H new ATOM 1258 N HIS A 79 11.142 0.493 -7.262 1.00 0.00 N ATOM 1259 CA HIS A 79 11.517 0.134 -8.627 1.00 0.00 C ATOM 1260 C HIS A 79 11.822 1.360 -9.492 1.00 0.00 C ATOM 1261 O HIS A 79 12.982 1.669 -9.751 1.00 0.00 O ATOM 1262 CB HIS A 79 10.403 -0.694 -9.275 1.00 0.00 C ATOM 1263 CG HIS A 79 10.895 -1.825 -10.122 1.00 0.00 C ATOM 1264 ND1 HIS A 79 11.450 -2.966 -9.597 1.00 0.00 N ATOM 1265 CD2 HIS A 79 10.895 -1.992 -11.465 1.00 0.00 C ATOM 1266 CE1 HIS A 79 11.769 -3.789 -10.576 1.00 0.00 C ATOM 1267 NE2 HIS A 79 11.444 -3.223 -11.723 1.00 0.00 N ATOM 0 H HIS A 79 10.157 0.731 -7.142 1.00 0.00 H new ATOM 0 HA HIS A 79 12.432 -0.456 -8.565 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.760 -1.094 -8.491 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.786 -0.037 -9.888 1.00 0.00 H new ATOM 0 HD2 HIS A 79 10.531 -1.287 -12.198 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.221 -4.763 -10.459 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.578 -3.632 -12.648 1.00 0.00 H new ATOM 1276 N TYR A 80 10.778 2.061 -9.916 1.00 0.00 N ATOM 1277 CA TYR A 80 10.932 3.224 -10.787 1.00 0.00 C ATOM 1278 C TYR A 80 11.269 4.486 -10.001 1.00 0.00 C ATOM 1279 O TYR A 80 12.121 5.273 -10.416 1.00 0.00 O ATOM 1280 CB TYR A 80 9.652 3.456 -11.593 1.00 0.00 C ATOM 1281 CG TYR A 80 9.261 2.298 -12.485 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.496 1.247 -11.997 1.00 0.00 C ATOM 1283 CD2 TYR A 80 9.655 2.259 -13.814 1.00 0.00 C ATOM 1284 CE1 TYR A 80 8.133 0.192 -12.810 1.00 0.00 C ATOM 1285 CE2 TYR A 80 9.296 1.208 -14.635 1.00 0.00 C ATOM 1286 CZ TYR A 80 8.537 0.174 -14.127 1.00 0.00 C ATOM 1287 OH TYR A 80 8.179 -0.877 -14.940 1.00 0.00 O ATOM 0 H TYR A 80 9.812 1.845 -9.671 1.00 0.00 H new ATOM 0 HA TYR A 80 11.762 3.013 -11.461 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.834 3.660 -10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.780 4.347 -12.208 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.180 1.255 -10.964 1.00 0.00 H new ATOM 0 HD2 TYR A 80 10.253 3.064 -14.214 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.535 -0.616 -12.415 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.608 1.196 -15.669 1.00 0.00 H new ATOM 0 HH TYR A 80 8.544 -0.735 -15.838 1.00 0.00 H new ATOM 1297 N ASP A 81 10.600 4.677 -8.867 1.00 0.00 N ATOM 1298 CA ASP A 81 10.822 5.861 -8.040 1.00 0.00 C ATOM 1299 C ASP A 81 12.249 5.892 -7.511 1.00 0.00 C ATOM 1300 O ASP A 81 12.907 6.931 -7.550 1.00 0.00 O ATOM 1301 CB ASP A 81 9.825 5.913 -6.879 1.00 0.00 C ATOM 1302 CG ASP A 81 8.553 6.655 -7.235 1.00 0.00 C ATOM 1303 OD1 ASP A 81 8.622 7.878 -7.473 1.00 0.00 O ATOM 1304 OD2 ASP A 81 7.479 6.018 -7.269 1.00 0.00 O ATOM 0 H ASP A 81 9.902 4.030 -8.500 1.00 0.00 H new ATOM 0 HA ASP A 81 10.666 6.739 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.575 4.897 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.295 6.396 -6.023 1.00 0.00 H new ATOM 1309 N HIS A 82 12.719 4.741 -7.032 1.00 0.00 N ATOM 1310 CA HIS A 82 14.077 4.607 -6.499 1.00 0.00 C ATOM 1311 C HIS A 82 14.281 5.523 -5.288 1.00 0.00 C ATOM 1312 O HIS A 82 15.377 6.026 -5.038 1.00 0.00 O ATOM 1313 CB HIS A 82 15.106 4.913 -7.596 1.00 0.00 C ATOM 1314 CG HIS A 82 16.505 4.478 -7.272 1.00 0.00 C ATOM 1315 ND1 HIS A 82 17.590 5.315 -7.399 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.997 3.289 -6.845 1.00 0.00 C ATOM 1317 CE1 HIS A 82 18.686 4.663 -7.068 1.00 0.00 C ATOM 1318 NE2 HIS A 82 18.356 3.435 -6.728 1.00 0.00 N ATOM 0 H HIS A 82 12.174 3.879 -7.002 1.00 0.00 H new ATOM 0 HA HIS A 82 14.220 3.579 -6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.791 4.425 -8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.107 5.986 -7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.427 2.396 -6.636 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.687 5.068 -7.075 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.006 2.709 -6.426 1.00 0.00 H new ATOM 1327 N VAL A 83 13.211 5.728 -4.536 1.00 0.00 N ATOM 1328 CA VAL A 83 13.261 6.573 -3.350 1.00 0.00 C ATOM 1329 C VAL A 83 13.228 5.713 -2.094 1.00 0.00 C ATOM 1330 O VAL A 83 13.067 6.217 -0.978 1.00 0.00 O ATOM 1331 CB VAL A 83 12.092 7.582 -3.314 1.00 0.00 C ATOM 1332 CG1 VAL A 83 12.237 8.621 -4.413 1.00 0.00 C ATOM 1333 CG2 VAL A 83 10.754 6.871 -3.439 1.00 0.00 C ATOM 0 H VAL A 83 12.295 5.321 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 83 14.193 7.137 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 83 12.124 8.090 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.401 9.319 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.172 9.164 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.241 8.126 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.948 7.604 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.717 6.328 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.636 6.170 -2.613 1.00 0.00 H new ATOM 1343 N LEU A 84 13.389 4.412 -2.289 1.00 0.00 N ATOM 1344 CA LEU A 84 13.375 3.462 -1.195 1.00 0.00 C ATOM 1345 C LEU A 84 14.795 3.096 -0.783 1.00 0.00 C ATOM 1346 O LEU A 84 15.678 2.939 -1.625 1.00 0.00 O ATOM 1347 CB LEU A 84 12.600 2.205 -1.603 1.00 0.00 C ATOM 1348 CG LEU A 84 12.459 1.138 -0.514 1.00 0.00 C ATOM 1349 CD1 LEU A 84 11.038 0.594 -0.482 1.00 0.00 C ATOM 1350 CD2 LEU A 84 13.451 0.008 -0.738 1.00 0.00 C ATOM 0 H LEU A 84 13.532 3.991 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 84 12.879 3.923 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.603 2.503 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.095 1.757 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 84 12.676 1.602 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.956 -0.163 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 84 10.342 1.407 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.797 0.149 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.334 -0.740 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.265 -0.452 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.466 0.405 -0.713 1.00 0.00 H new ATOM 1362 N ILE A 85 15.003 2.974 0.515 1.00 0.00 N ATOM 1363 CA ILE A 85 16.299 2.620 1.060 1.00 0.00 C ATOM 1364 C ILE A 85 16.200 1.268 1.751 1.00 0.00 C ATOM 1365 O ILE A 85 15.451 1.110 2.707 1.00 0.00 O ATOM 1366 CB ILE A 85 16.809 3.670 2.072 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.679 5.087 1.504 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.256 3.383 2.445 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.487 5.846 2.044 1.00 0.00 C ATOM 0 H ILE A 85 14.279 3.117 1.219 1.00 0.00 H new ATOM 0 HA ILE A 85 17.008 2.580 0.233 1.00 0.00 H new ATOM 0 HB ILE A 85 16.193 3.605 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.588 5.645 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 85 16.602 5.029 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.603 4.130 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.326 2.392 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.877 3.421 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.457 6.841 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.571 5.310 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.573 5.935 3.127 1.00 0.00 H new ATOM 1381 N GLU A 86 16.927 0.289 1.252 1.00 0.00 N ATOM 1382 CA GLU A 86 16.906 -1.043 1.841 1.00 0.00 C ATOM 1383 C GLU A 86 18.238 -1.339 2.511 1.00 0.00 C ATOM 1384 O GLU A 86 19.300 -1.174 1.911 1.00 0.00 O ATOM 1385 CB GLU A 86 16.573 -2.106 0.785 1.00 0.00 C ATOM 1386 CG GLU A 86 17.348 -1.962 -0.514 1.00 0.00 C ATOM 1387 CD GLU A 86 16.699 -2.712 -1.660 1.00 0.00 C ATOM 1388 OE1 GLU A 86 16.827 -3.953 -1.719 1.00 0.00 O ATOM 1389 OE2 GLU A 86 16.051 -2.062 -2.510 1.00 0.00 O ATOM 0 H GLU A 86 17.540 0.386 0.442 1.00 0.00 H new ATOM 0 HA GLU A 86 16.123 -1.075 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.770 -3.092 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.506 -2.061 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.426 -0.906 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.364 -2.331 -0.371 1.00 0.00 H new ATOM 1672 N TYR A 107 14.713 -4.494 5.816 1.00 0.00 N ATOM 1673 CA TYR A 107 14.066 -3.306 6.341 1.00 0.00 C ATOM 1674 C TYR A 107 14.011 -2.240 5.262 1.00 0.00 C ATOM 1675 O TYR A 107 15.045 -1.759 4.793 1.00 0.00 O ATOM 1676 CB TYR A 107 14.801 -2.813 7.588 1.00 0.00 C ATOM 1677 CG TYR A 107 14.675 -3.774 8.751 1.00 0.00 C ATOM 1678 CD1 TYR A 107 15.584 -4.812 8.925 1.00 0.00 C ATOM 1679 CD2 TYR A 107 13.635 -3.659 9.661 1.00 0.00 C ATOM 1680 CE1 TYR A 107 15.458 -5.704 9.974 1.00 0.00 C ATOM 1681 CE2 TYR A 107 13.500 -4.549 10.709 1.00 0.00 C ATOM 1682 CZ TYR A 107 14.414 -5.566 10.862 1.00 0.00 C ATOM 1683 OH TYR A 107 14.274 -6.455 11.904 1.00 0.00 O ATOM 0 HA TYR A 107 13.044 -3.543 6.636 1.00 0.00 H new ATOM 0 HB2 TYR A 107 15.855 -2.669 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.404 -1.840 7.879 1.00 0.00 H new ATOM 0 HD1 TYR A 107 16.402 -4.923 8.229 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.918 -2.859 9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 107 16.173 -6.504 10.096 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.681 -4.447 11.405 1.00 0.00 H new ATOM 0 HH TYR A 107 13.487 -6.214 12.436 1.00 0.00 H new ATOM 1693 N LEU A 108 12.797 -1.904 4.846 1.00 0.00 N ATOM 1694 CA LEU A 108 12.593 -0.925 3.795 1.00 0.00 C ATOM 1695 C LEU A 108 12.354 0.459 4.361 1.00 0.00 C ATOM 1696 O LEU A 108 11.604 0.634 5.315 1.00 0.00 O ATOM 1697 CB LEU A 108 11.413 -1.334 2.915 1.00 0.00 C ATOM 1698 CG LEU A 108 11.584 -2.668 2.191 1.00 0.00 C ATOM 1699 CD1 LEU A 108 10.450 -2.880 1.207 1.00 0.00 C ATOM 1700 CD2 LEU A 108 12.929 -2.725 1.484 1.00 0.00 C ATOM 0 H LEU A 108 11.937 -2.299 5.225 1.00 0.00 H new ATOM 0 HA LEU A 108 13.502 -0.892 3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.517 -1.385 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.244 -0.553 2.173 1.00 0.00 H new ATOM 0 HG LEU A 108 11.556 -3.470 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 108 10.584 -3.834 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.500 -2.884 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.450 -2.074 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.032 -3.683 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.991 -1.917 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.730 -2.616 2.216 1.00 0.00 H new ATOM 1712 N VAL A 109 13.010 1.434 3.770 1.00 0.00 N ATOM 1713 CA VAL A 109 12.877 2.814 4.186 1.00 0.00 C ATOM 1714 C VAL A 109 12.430 3.666 3.001 1.00 0.00 C ATOM 1715 O VAL A 109 12.721 3.331 1.858 1.00 0.00 O ATOM 1716 CB VAL A 109 14.215 3.368 4.735 1.00 0.00 C ATOM 1717 CG1 VAL A 109 14.009 4.687 5.460 1.00 0.00 C ATOM 1718 CG2 VAL A 109 14.902 2.354 5.643 1.00 0.00 C ATOM 0 H VAL A 109 13.650 1.293 2.988 1.00 0.00 H new ATOM 0 HA VAL A 109 12.133 2.856 4.982 1.00 0.00 H new ATOM 0 HB VAL A 109 14.867 3.552 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 109 14.966 5.050 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 109 13.587 5.419 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 109 13.325 4.540 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.838 2.772 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.251 2.121 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.108 1.443 5.081 1.00 0.00 H new ATOM 1728 N VAL A 110 11.718 4.749 3.265 1.00 0.00 N ATOM 1729 CA VAL A 110 11.261 5.633 2.203 1.00 0.00 C ATOM 1730 C VAL A 110 11.722 7.061 2.485 1.00 0.00 C ATOM 1731 O VAL A 110 11.794 7.480 3.641 1.00 0.00 O ATOM 1732 CB VAL A 110 9.722 5.587 2.030 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.010 6.031 3.296 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.281 6.432 0.841 1.00 0.00 C ATOM 0 H VAL A 110 11.444 5.038 4.204 1.00 0.00 H new ATOM 0 HA VAL A 110 11.701 5.286 1.268 1.00 0.00 H new ATOM 0 HB VAL A 110 9.444 4.551 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.932 5.987 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.286 5.371 4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.301 7.053 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.197 6.383 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.584 7.467 0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 110 9.746 6.052 -0.068 1.00 0.00 H new ATOM 1744 N ASN A 111 12.067 7.787 1.431 1.00 0.00 N ATOM 1745 CA ASN A 111 12.526 9.163 1.565 1.00 0.00 C ATOM 1746 C ASN A 111 11.403 10.064 2.067 1.00 0.00 C ATOM 1747 O ASN A 111 10.240 9.866 1.722 1.00 0.00 O ATOM 1748 CB ASN A 111 13.061 9.674 0.227 1.00 0.00 C ATOM 1749 CG ASN A 111 14.563 9.511 0.114 1.00 0.00 C ATOM 1750 OD1 ASN A 111 15.322 10.435 0.406 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.002 8.333 -0.300 1.00 0.00 N ATOM 0 H ASN A 111 12.038 7.445 0.471 1.00 0.00 H new ATOM 0 HA ASN A 111 13.332 9.185 2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.576 9.135 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.801 10.726 0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.004 8.164 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.338 7.594 -0.532 1.00 0.00 H new ATOM 1758 N PRO A 112 11.745 11.070 2.889 1.00 0.00 N ATOM 1759 CA PRO A 112 10.767 12.002 3.467 1.00 0.00 C ATOM 1760 C PRO A 112 10.187 12.978 2.445 1.00 0.00 C ATOM 1761 O PRO A 112 9.315 13.786 2.771 1.00 0.00 O ATOM 1762 CB PRO A 112 11.567 12.762 4.537 1.00 0.00 C ATOM 1763 CG PRO A 112 12.876 12.049 4.655 1.00 0.00 C ATOM 1764 CD PRO A 112 13.108 11.376 3.335 1.00 0.00 C ATOM 0 HA PRO A 112 9.902 11.467 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.714 13.803 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.038 12.767 5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.681 12.748 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.850 11.319 5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.628 12.028 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.712 10.475 3.440 1.00 0.00 H new ATOM 1772 N ASN A 113 10.677 12.915 1.217 1.00 0.00 N ATOM 1773 CA ASN A 113 10.187 13.791 0.167 1.00 0.00 C ATOM 1774 C ASN A 113 9.150 13.068 -0.687 1.00 0.00 C ATOM 1775 O ASN A 113 7.950 13.172 -0.419 1.00 0.00 O ATOM 1776 CB ASN A 113 11.352 14.295 -0.688 1.00 0.00 C ATOM 1777 CG ASN A 113 10.937 15.363 -1.687 1.00 0.00 C ATOM 1778 OD1 ASN A 113 9.820 15.882 -1.645 1.00 0.00 O ATOM 1779 ND2 ASN A 113 11.850 15.715 -2.573 1.00 0.00 N ATOM 0 H ASN A 113 11.410 12.269 0.925 1.00 0.00 H new ATOM 0 HA ASN A 113 9.703 14.654 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.127 14.697 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.792 13.454 -1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.643 16.442 -3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.763 15.260 -2.573 1.00 0.00 H new ATOM 1786 N TYR A 114 9.622 12.312 -1.682 1.00 0.00 N ATOM 1787 CA TYR A 114 8.754 11.567 -2.597 1.00 0.00 C ATOM 1788 C TYR A 114 7.858 12.511 -3.389 1.00 0.00 C ATOM 1789 O TYR A 114 6.870 13.039 -2.879 1.00 0.00 O ATOM 1790 CB TYR A 114 7.904 10.532 -1.849 1.00 0.00 C ATOM 1791 CG TYR A 114 7.371 9.411 -2.727 1.00 0.00 C ATOM 1792 CD1 TYR A 114 6.697 9.681 -3.916 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.553 8.081 -2.370 1.00 0.00 C ATOM 1794 CE1 TYR A 114 6.220 8.660 -4.714 1.00 0.00 C ATOM 1795 CE2 TYR A 114 7.080 7.056 -3.168 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.414 7.352 -4.338 1.00 0.00 C ATOM 1797 OH TYR A 114 5.954 6.335 -5.143 1.00 0.00 O ATOM 0 H TYR A 114 10.617 12.199 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 114 9.401 11.034 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.502 10.098 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.063 11.041 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 114 6.545 10.706 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 114 8.073 7.844 -1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.696 8.888 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.232 6.027 -2.876 1.00 0.00 H new ATOM 0 HH TYR A 114 6.550 6.234 -5.915 1.00 0.00 H new ATOM 1807 N LEU A 115 8.200 12.703 -4.645 1.00 0.00 N ATOM 1808 CA LEU A 115 7.433 13.582 -5.513 1.00 0.00 C ATOM 1809 C LEU A 115 6.720 12.785 -6.600 1.00 0.00 C ATOM 1810 O LEU A 115 7.074 11.637 -6.879 1.00 0.00 O ATOM 1811 CB LEU A 115 8.308 14.704 -6.132 1.00 0.00 C ATOM 1812 CG LEU A 115 9.712 14.334 -6.674 1.00 0.00 C ATOM 1813 CD1 LEU A 115 10.682 14.017 -5.547 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.653 13.180 -7.664 1.00 0.00 C ATOM 0 H LEU A 115 9.005 12.263 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 115 6.681 14.069 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.744 15.150 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.438 15.478 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 115 10.082 15.211 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.656 13.762 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.783 14.887 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.304 13.174 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.658 12.953 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.235 12.301 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.024 13.458 -8.510 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.206 -9.861 -1.165 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.547 -9.827 -1.747 1.00 0.00 C ATOM 2022 C LEU B 390 -7.361 -11.072 -1.395 1.00 0.00 C ATOM 2023 O LEU B 390 -8.541 -11.155 -1.732 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.462 -9.668 -3.270 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.730 -9.130 -3.944 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.755 -7.606 -3.928 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.833 -9.652 -5.366 1.00 0.00 C ATOM 0 HA LEU B 390 -7.063 -8.967 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.634 -8.998 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.221 -10.637 -3.707 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.592 -9.484 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.665 -7.252 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.731 -7.253 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.886 -7.222 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.738 -9.262 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.962 -9.328 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.873 -10.741 -5.352 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.740 -12.043 -0.731 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.441 -13.272 -0.350 1.00 0.00 C ATOM 2041 C GLU B 391 -8.632 -12.963 0.557 1.00 0.00 C ATOM 2042 O GLU B 391 -9.597 -13.717 0.601 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.488 -14.258 0.336 1.00 0.00 C ATOM 2044 CG GLU B 391 -6.153 -13.901 1.777 1.00 0.00 C ATOM 2045 CD GLU B 391 -5.574 -15.072 2.542 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.361 -15.331 2.414 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -6.333 -15.741 3.277 1.00 0.00 O ATOM 0 H GLU B 391 -5.761 -12.007 -0.446 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.816 -13.737 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -6.934 -15.252 0.314 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.563 -14.311 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -5.441 -13.076 1.788 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -7.054 -13.551 2.281 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.563 -11.836 1.260 1.00 0.00 N ATOM 2055 CA ARG B 392 -9.636 -11.419 2.159 1.00 0.00 C ATOM 2056 C ARG B 392 -10.850 -10.944 1.360 1.00 0.00 C ATOM 2057 O ARG B 392 -11.976 -10.934 1.855 1.00 0.00 O ATOM 2058 CB ARG B 392 -9.135 -10.310 3.095 1.00 0.00 C ATOM 2059 CG ARG B 392 -10.241 -9.592 3.856 1.00 0.00 C ATOM 2060 CD ARG B 392 -9.693 -8.803 5.031 1.00 0.00 C ATOM 2061 NE ARG B 392 -9.407 -9.662 6.175 1.00 0.00 N ATOM 2062 CZ ARG B 392 -9.562 -9.286 7.443 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -9.949 -8.050 7.738 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -9.312 -10.150 8.415 1.00 0.00 N ATOM 0 H ARG B 392 -7.772 -11.193 1.224 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.941 -12.273 2.763 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -8.437 -10.742 3.812 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.578 -9.579 2.509 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -10.770 -8.919 3.181 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -10.968 -10.320 4.214 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -8.783 -8.286 4.728 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -10.413 -8.038 5.322 1.00 0.00 H new ATOM 0 HE ARG B 392 -9.068 -10.607 5.993 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -10.130 -7.380 6.990 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -10.065 -7.771 8.712 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -9.003 -11.096 8.190 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -9.428 -9.870 9.389 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.611 -10.580 0.105 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.671 -10.101 -0.775 1.00 0.00 C ATOM 2080 C ILE B 393 -12.703 -11.203 -1.013 1.00 0.00 C ATOM 2081 O ILE B 393 -13.875 -10.929 -1.265 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.093 -9.577 -2.118 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.789 -8.082 -2.009 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.030 -9.835 -3.289 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.757 -7.748 -0.958 1.00 0.00 C ATOM 0 H ILE B 393 -9.688 -10.608 -0.328 1.00 0.00 H new ATOM 0 HA ILE B 393 -12.169 -9.264 -0.285 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.172 -10.126 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.440 -7.720 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.712 -7.548 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -11.582 -9.451 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.200 -10.907 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -12.981 -9.332 -3.112 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.593 -6.671 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.111 -8.079 0.018 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -8.820 -8.253 -1.194 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.261 -12.447 -0.878 1.00 0.00 N ATOM 2098 CA ARG B 394 -13.134 -13.595 -1.059 1.00 0.00 C ATOM 2099 C ARG B 394 -14.292 -13.535 -0.063 1.00 0.00 C ATOM 2100 O ARG B 394 -15.455 -13.709 -0.432 1.00 0.00 O ATOM 2101 CB ARG B 394 -12.338 -14.890 -0.891 1.00 0.00 C ATOM 2102 CG ARG B 394 -11.287 -15.092 -1.971 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.536 -16.400 -1.785 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.843 -16.465 -0.499 1.00 0.00 N ATOM 2105 CZ ARG B 394 -8.764 -17.217 -0.270 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -8.227 -17.940 -1.244 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -8.214 -17.241 0.936 1.00 0.00 N ATOM 0 H ARG B 394 -11.298 -12.685 -0.642 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.548 -13.575 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -11.851 -14.886 0.084 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -13.026 -15.735 -0.900 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -11.765 -15.083 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -10.582 -14.261 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -11.236 -17.232 -1.860 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -9.812 -16.519 -2.591 1.00 0.00 H new ATOM 0 HE ARG B 394 -10.206 -15.902 0.270 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -8.639 -17.924 -2.177 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -7.403 -18.512 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -8.615 -16.684 1.691 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -7.390 -17.816 1.109 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.965 -13.258 1.196 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.975 -13.142 2.239 1.00 0.00 C ATOM 2123 C ALA B 395 -15.748 -11.837 2.081 1.00 0.00 C ATOM 2124 O ALA B 395 -16.924 -11.745 2.443 1.00 0.00 O ATOM 2125 CB ALA B 395 -14.330 -13.216 3.615 1.00 0.00 C ATOM 0 H ALA B 395 -13.008 -13.110 1.517 1.00 0.00 H new ATOM 0 HA ALA B 395 -15.673 -13.974 2.142 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -15.099 -13.128 4.382 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -13.816 -14.171 3.725 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -13.613 -12.403 3.725 1.00 0.00 H new ATOM 2131 N LYS B 396 -15.075 -10.832 1.524 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.684 -9.527 1.291 1.00 0.00 C ATOM 2133 C LYS B 396 -16.779 -9.655 0.239 1.00 0.00 C ATOM 2134 O LYS B 396 -17.777 -8.934 0.267 1.00 0.00 O ATOM 2135 CB LYS B 396 -14.623 -8.521 0.828 1.00 0.00 C ATOM 2136 CG LYS B 396 -15.010 -7.061 1.032 1.00 0.00 C ATOM 2137 CD LYS B 396 -15.705 -6.476 -0.192 1.00 0.00 C ATOM 2138 CE LYS B 396 -15.902 -4.969 -0.061 1.00 0.00 C ATOM 2139 NZ LYS B 396 -16.370 -4.572 1.298 1.00 0.00 N ATOM 0 H LYS B 396 -14.102 -10.899 1.225 1.00 0.00 H new ATOM 0 HA LYS B 396 -16.121 -9.166 2.222 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.695 -8.717 1.365 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -14.420 -8.686 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.669 -6.978 1.897 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -14.117 -6.477 1.255 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -15.115 -6.690 -1.083 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -16.673 -6.959 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -14.962 -4.462 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -16.626 -4.634 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -16.602 -3.558 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -17.216 -5.122 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -15.618 -4.758 1.992 1.00 0.00 H new