USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 769 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 19 LYS NZ :NH3+ 165:sc= 0.536 (180deg=0.0485) USER MOD Set 1.2: A 95 TYR OH : rot 121:sc= 0.37 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.6!) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0471) USER MOD Single : A 18 MET CE :methyl 138:sc= -3.62! (180deg=-6.56!) USER MOD Single : A 27 HIS : no HD1:sc= -1 X(o=-1,f=-1) USER MOD Single : A 28 GLN : amide:sc=-0.00227 X(o=-0.0023,f=-0.0073) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 40 CYS SG : rot 180:sc= 0.113 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -1.99 X(o=-2,f=-2) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0578 K(o=-0.058,f=-0.64) USER MOD Single : A 67 HIS : no HD1:sc= -3.96! X(o=-4!,f=-4.3) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -164:sc= -0.118 USER MOD Single : A 77 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-4.1!) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0802) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.119 F(o=-0.64,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= 1.17 (180deg=-1.24) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -106:sc= 0.252 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 7.240 -10.366 -7.058 1.00 0.00 N ATOM 138 CA ASN A 12 7.246 -9.316 -8.071 1.00 0.00 C ATOM 139 C ASN A 12 7.866 -8.035 -7.522 1.00 0.00 C ATOM 140 O ASN A 12 7.377 -6.936 -7.782 1.00 0.00 O ATOM 141 CB ASN A 12 5.822 -9.040 -8.557 1.00 0.00 C ATOM 142 CG ASN A 12 5.786 -8.054 -9.709 1.00 0.00 C ATOM 143 OD1 ASN A 12 5.595 -6.855 -9.508 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.969 -8.557 -10.924 1.00 0.00 N ATOM 0 HA ASN A 12 7.849 -9.659 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.359 -9.976 -8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.228 -8.651 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.955 -7.942 -11.738 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.124 -9.558 -11.044 1.00 0.00 H new ATOM 151 N GLY A 13 8.946 -8.184 -6.762 1.00 0.00 N ATOM 152 CA GLY A 13 9.615 -7.030 -6.189 1.00 0.00 C ATOM 153 C GLY A 13 9.261 -6.819 -4.731 1.00 0.00 C ATOM 154 O GLY A 13 10.110 -6.433 -3.927 1.00 0.00 O ATOM 0 H GLY A 13 9.370 -9.083 -6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.694 -7.155 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.347 -6.139 -6.757 1.00 0.00 H new ATOM 158 N PHE A 14 8.002 -7.072 -4.387 1.00 0.00 N ATOM 159 CA PHE A 14 7.536 -6.904 -3.016 1.00 0.00 C ATOM 160 C PHE A 14 8.389 -7.719 -2.048 1.00 0.00 C ATOM 161 O PHE A 14 9.066 -8.667 -2.446 1.00 0.00 O ATOM 162 CB PHE A 14 6.069 -7.324 -2.898 1.00 0.00 C ATOM 163 CG PHE A 14 5.102 -6.216 -3.203 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.925 -5.168 -2.314 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.370 -6.222 -4.380 1.00 0.00 C ATOM 166 CE1 PHE A 14 4.035 -4.148 -2.592 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.479 -5.204 -4.664 1.00 0.00 C ATOM 168 CZ PHE A 14 3.313 -4.165 -3.769 1.00 0.00 C ATOM 0 H PHE A 14 7.287 -7.394 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 14 7.627 -5.850 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.882 -8.156 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.884 -7.689 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.489 -5.148 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.497 -7.032 -5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.904 -3.338 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.914 -5.221 -5.584 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.619 -3.367 -3.989 1.00 0.00 H new ATOM 178 N LYS A 15 8.351 -7.343 -0.774 1.00 0.00 N ATOM 179 CA LYS A 15 9.119 -8.037 0.252 1.00 0.00 C ATOM 180 C LYS A 15 8.380 -8.024 1.587 1.00 0.00 C ATOM 181 O LYS A 15 7.394 -7.306 1.755 1.00 0.00 O ATOM 182 CB LYS A 15 10.496 -7.390 0.414 1.00 0.00 C ATOM 183 CG LYS A 15 11.244 -7.218 -0.897 1.00 0.00 C ATOM 184 CD LYS A 15 12.561 -6.486 -0.695 1.00 0.00 C ATOM 185 CE LYS A 15 13.602 -7.382 -0.043 1.00 0.00 C ATOM 186 NZ LYS A 15 14.140 -8.392 -0.996 1.00 0.00 N ATOM 0 H LYS A 15 7.796 -6.561 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 15 9.246 -9.073 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.377 -6.415 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.097 -7.999 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.434 -8.196 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.623 -6.664 -1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.934 -6.133 -1.657 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.397 -5.605 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.420 -6.771 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.158 -7.891 0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.960 -8.869 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.404 -9.095 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.432 -7.919 -1.875 1.00 0.00 H new ATOM 200 N VAL A 16 8.864 -8.821 2.534 1.00 0.00 N ATOM 201 CA VAL A 16 8.250 -8.899 3.855 1.00 0.00 C ATOM 202 C VAL A 16 8.805 -7.823 4.782 1.00 0.00 C ATOM 203 O VAL A 16 9.998 -7.798 5.077 1.00 0.00 O ATOM 204 CB VAL A 16 8.475 -10.281 4.497 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.010 -10.278 5.946 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.759 -11.361 3.701 1.00 0.00 C ATOM 0 H VAL A 16 9.679 -9.422 2.412 1.00 0.00 H new ATOM 0 HA VAL A 16 7.180 -8.740 3.718 1.00 0.00 H new ATOM 0 HB VAL A 16 9.543 -10.500 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.177 -11.262 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.572 -9.532 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.948 -10.038 5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.929 -12.331 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.690 -11.150 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.144 -11.378 2.682 1.00 0.00 H new ATOM 216 N GLY A 17 7.928 -6.934 5.239 1.00 0.00 N ATOM 217 CA GLY A 17 8.348 -5.868 6.129 1.00 0.00 C ATOM 218 C GLY A 17 7.816 -4.514 5.702 1.00 0.00 C ATOM 219 O GLY A 17 7.379 -3.721 6.536 1.00 0.00 O ATOM 0 H GLY A 17 6.934 -6.933 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.006 -6.087 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.437 -5.834 6.161 1.00 0.00 H new ATOM 223 N MET A 18 7.855 -4.248 4.401 1.00 0.00 N ATOM 224 CA MET A 18 7.374 -2.979 3.866 1.00 0.00 C ATOM 225 C MET A 18 5.884 -2.803 4.143 1.00 0.00 C ATOM 226 O MET A 18 5.146 -3.779 4.272 1.00 0.00 O ATOM 227 CB MET A 18 7.637 -2.903 2.361 1.00 0.00 C ATOM 228 CG MET A 18 7.127 -4.112 1.593 1.00 0.00 C ATOM 229 SD MET A 18 7.510 -4.029 -0.167 1.00 0.00 S ATOM 230 CE MET A 18 9.264 -4.389 -0.149 1.00 0.00 C ATOM 0 H MET A 18 8.214 -4.893 3.698 1.00 0.00 H new ATOM 0 HA MET A 18 7.916 -2.175 4.363 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.165 -2.005 1.963 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.709 -2.802 2.192 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.566 -5.017 2.014 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.048 -4.191 1.723 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.505 -5.068 -0.967 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.827 -3.463 -0.268 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.530 -4.856 0.799 1.00 0.00 H new ATOM 240 N LYS A 19 5.448 -1.551 4.233 1.00 0.00 N ATOM 241 CA LYS A 19 4.047 -1.245 4.493 1.00 0.00 C ATOM 242 C LYS A 19 3.389 -0.621 3.267 1.00 0.00 C ATOM 243 O LYS A 19 4.069 -0.085 2.391 1.00 0.00 O ATOM 244 CB LYS A 19 3.924 -0.298 5.689 1.00 0.00 C ATOM 245 CG LYS A 19 4.449 -0.886 6.987 1.00 0.00 C ATOM 246 CD LYS A 19 4.415 0.132 8.115 1.00 0.00 C ATOM 247 CE LYS A 19 5.518 -0.123 9.130 1.00 0.00 C ATOM 248 NZ LYS A 19 5.277 -1.369 9.909 1.00 0.00 N ATOM 0 H LYS A 19 6.046 -0.731 4.129 1.00 0.00 H new ATOM 0 HA LYS A 19 3.534 -2.179 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.467 0.622 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.877 -0.026 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.851 -1.755 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.471 -1.235 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.523 1.136 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.446 0.093 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.476 -0.196 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.587 0.724 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.151 -1.646 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.526 -1.201 10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.986 -2.131 9.264 1.00 0.00 H new ATOM 262 N LEU A 20 2.064 -0.692 3.212 1.00 0.00 N ATOM 263 CA LEU A 20 1.313 -0.132 2.093 1.00 0.00 C ATOM 264 C LEU A 20 -0.159 0.034 2.453 1.00 0.00 C ATOM 265 O LEU A 20 -0.646 -0.572 3.407 1.00 0.00 O ATOM 266 CB LEU A 20 1.451 -1.028 0.861 1.00 0.00 C ATOM 267 CG LEU A 20 0.741 -2.380 0.932 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.386 -2.871 -0.463 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.608 -3.401 1.654 1.00 0.00 C ATOM 0 H LEU A 20 1.487 -1.132 3.929 1.00 0.00 H new ATOM 0 HA LEU A 20 1.725 0.851 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.069 -0.485 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.512 -1.206 0.683 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.183 -2.254 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.119 -3.835 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.274 -2.150 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.296 -2.981 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.086 -4.357 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.549 -3.524 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.811 -3.055 2.667 1.00 0.00 H new ATOM 281 N GLU A 21 -0.863 0.856 1.682 1.00 0.00 N ATOM 282 CA GLU A 21 -2.281 1.099 1.920 1.00 0.00 C ATOM 283 C GLU A 21 -3.142 0.263 0.978 1.00 0.00 C ATOM 284 O GLU A 21 -3.019 0.358 -0.242 1.00 0.00 O ATOM 285 CB GLU A 21 -2.604 2.584 1.741 1.00 0.00 C ATOM 286 CG GLU A 21 -1.692 3.506 2.533 1.00 0.00 C ATOM 287 CD GLU A 21 -0.406 3.827 1.797 1.00 0.00 C ATOM 288 OE1 GLU A 21 0.450 2.927 1.676 1.00 0.00 O ATOM 289 OE2 GLU A 21 -0.256 4.981 1.341 1.00 0.00 O ATOM 0 H GLU A 21 -0.475 1.365 0.888 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.506 0.807 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.533 2.838 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.636 2.761 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.221 4.433 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.453 3.041 3.489 1.00 0.00 H new ATOM 296 N GLY A 22 -4.015 -0.558 1.555 1.00 0.00 N ATOM 297 CA GLY A 22 -4.884 -1.400 0.754 1.00 0.00 C ATOM 298 C GLY A 22 -6.352 -1.159 1.041 1.00 0.00 C ATOM 299 O GLY A 22 -6.698 -0.374 1.925 1.00 0.00 O ATOM 0 H GLY A 22 -4.136 -0.655 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.689 -1.217 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.647 -2.447 0.945 1.00 0.00 H new ATOM 303 N VAL A 23 -7.219 -1.834 0.293 1.00 0.00 N ATOM 304 CA VAL A 23 -8.659 -1.689 0.472 1.00 0.00 C ATOM 305 C VAL A 23 -9.225 -2.824 1.318 1.00 0.00 C ATOM 306 O VAL A 23 -8.714 -3.944 1.294 1.00 0.00 O ATOM 307 CB VAL A 23 -9.392 -1.657 -0.882 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.861 -2.009 -0.702 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.238 -0.294 -1.539 1.00 0.00 C ATOM 0 H VAL A 23 -6.949 -2.487 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.820 -0.742 0.986 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.942 -2.403 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.363 -1.981 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.946 -3.009 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.328 -1.289 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.762 -0.289 -2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.661 0.473 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.181 -0.087 -1.704 1.00 0.00 H new ATOM 319 N ASP A 24 -10.283 -2.527 2.064 1.00 0.00 N ATOM 320 CA ASP A 24 -10.920 -3.524 2.917 1.00 0.00 C ATOM 321 C ASP A 24 -11.887 -4.388 2.114 1.00 0.00 C ATOM 322 O ASP A 24 -12.612 -3.907 1.243 1.00 0.00 O ATOM 323 CB ASP A 24 -11.662 -2.842 4.068 1.00 0.00 C ATOM 324 CG ASP A 24 -11.985 -3.800 5.197 1.00 0.00 C ATOM 325 OD1 ASP A 24 -13.069 -4.418 5.159 1.00 0.00 O ATOM 326 OD2 ASP A 24 -11.154 -3.931 6.121 1.00 0.00 O ATOM 0 H ASP A 24 -10.718 -1.605 2.096 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.141 -4.167 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.055 -2.023 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.586 -2.404 3.692 1.00 0.00 H new ATOM 331 N PRO A 25 -11.898 -5.696 2.411 1.00 0.00 N ATOM 332 CA PRO A 25 -12.770 -6.656 1.727 1.00 0.00 C ATOM 333 C PRO A 25 -14.239 -6.462 2.086 1.00 0.00 C ATOM 334 O PRO A 25 -15.103 -7.206 1.625 1.00 0.00 O ATOM 335 CB PRO A 25 -12.270 -8.012 2.233 1.00 0.00 C ATOM 336 CG PRO A 25 -11.649 -7.718 3.554 1.00 0.00 C ATOM 337 CD PRO A 25 -11.060 -6.339 3.437 1.00 0.00 C ATOM 0 HA PRO A 25 -12.726 -6.547 0.643 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.089 -8.725 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.547 -8.449 1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.391 -7.759 4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.880 -8.452 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.102 -5.802 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.013 -6.373 3.137 1.00 0.00 H new ATOM 345 N GLU A 26 -14.514 -5.457 2.912 1.00 0.00 N ATOM 346 CA GLU A 26 -15.880 -5.166 3.332 1.00 0.00 C ATOM 347 C GLU A 26 -16.423 -3.938 2.607 1.00 0.00 C ATOM 348 O GLU A 26 -17.628 -3.685 2.609 1.00 0.00 O ATOM 349 CB GLU A 26 -15.935 -4.944 4.845 1.00 0.00 C ATOM 350 CG GLU A 26 -15.543 -6.169 5.655 1.00 0.00 C ATOM 351 CD GLU A 26 -15.818 -6.002 7.136 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.329 -5.015 7.724 1.00 0.00 O ATOM 353 OE2 GLU A 26 -16.524 -6.859 7.708 1.00 0.00 O ATOM 0 H GLU A 26 -13.810 -4.831 3.303 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.502 -6.023 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.273 -4.119 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.945 -4.643 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.090 -7.036 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.483 -6.374 5.507 1.00 0.00 H new ATOM 360 N HIS A 27 -15.525 -3.179 1.988 1.00 0.00 N ATOM 361 CA HIS A 27 -15.913 -1.977 1.258 1.00 0.00 C ATOM 362 C HIS A 27 -14.828 -1.570 0.265 1.00 0.00 C ATOM 363 O HIS A 27 -13.659 -1.444 0.627 1.00 0.00 O ATOM 364 CB HIS A 27 -16.185 -0.830 2.231 1.00 0.00 C ATOM 365 CG HIS A 27 -17.546 -0.884 2.855 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.711 -0.737 2.133 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.923 -1.072 4.142 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.746 -0.831 2.949 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.295 -1.035 4.173 1.00 0.00 N ATOM 0 H HIS A 27 -14.524 -3.375 1.977 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.825 -2.197 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.432 -0.847 3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.073 0.117 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.267 -1.223 4.986 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.785 -0.754 2.663 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.872 -1.147 5.006 1.00 0.00 H new ATOM 378 N GLN A 28 -15.225 -1.368 -0.987 1.00 0.00 N ATOM 379 CA GLN A 28 -14.286 -0.977 -2.032 1.00 0.00 C ATOM 380 C GLN A 28 -14.126 0.539 -2.081 1.00 0.00 C ATOM 381 O GLN A 28 -13.686 1.094 -3.088 1.00 0.00 O ATOM 382 CB GLN A 28 -14.757 -1.497 -3.391 1.00 0.00 C ATOM 383 CG GLN A 28 -14.644 -3.005 -3.539 1.00 0.00 C ATOM 384 CD GLN A 28 -15.898 -3.731 -3.093 1.00 0.00 C ATOM 385 OE1 GLN A 28 -16.954 -3.606 -3.713 1.00 0.00 O ATOM 386 NE2 GLN A 28 -15.787 -4.496 -2.013 1.00 0.00 N ATOM 0 H GLN A 28 -16.190 -1.468 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.317 -1.418 -1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.795 -1.202 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.172 -1.019 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.438 -3.250 -4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.795 -3.361 -2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.891 -4.570 -1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.597 -5.009 -1.666 1.00 0.00 H new ATOM 395 N SER A 29 -14.486 1.203 -0.988 1.00 0.00 N ATOM 396 CA SER A 29 -14.387 2.656 -0.908 1.00 0.00 C ATOM 397 C SER A 29 -13.563 3.078 0.305 1.00 0.00 C ATOM 398 O SER A 29 -13.169 4.237 0.429 1.00 0.00 O ATOM 399 CB SER A 29 -15.782 3.280 -0.834 1.00 0.00 C ATOM 400 OG SER A 29 -16.442 3.204 -2.086 1.00 0.00 O ATOM 0 H SER A 29 -14.849 0.758 -0.145 1.00 0.00 H new ATOM 0 HA SER A 29 -13.885 3.012 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.374 2.767 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.702 4.322 -0.524 1.00 0.00 H new ATOM 0 HG SER A 29 -17.332 3.608 -2.012 1.00 0.00 H new ATOM 406 N VAL A 30 -13.307 2.128 1.199 1.00 0.00 N ATOM 407 CA VAL A 30 -12.530 2.399 2.402 1.00 0.00 C ATOM 408 C VAL A 30 -11.091 1.922 2.245 1.00 0.00 C ATOM 409 O VAL A 30 -10.843 0.787 1.837 1.00 0.00 O ATOM 410 CB VAL A 30 -13.152 1.721 3.637 1.00 0.00 C ATOM 411 CG1 VAL A 30 -12.279 1.940 4.863 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.562 2.242 3.876 1.00 0.00 C ATOM 0 H VAL A 30 -13.627 1.163 1.112 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.538 3.479 2.547 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.212 0.649 3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.735 1.454 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.291 1.515 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.185 3.009 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.987 1.753 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.529 3.319 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.181 2.028 3.005 1.00 0.00 H new ATOM 422 N TYR A 31 -10.145 2.795 2.573 1.00 0.00 N ATOM 423 CA TYR A 31 -8.729 2.464 2.467 1.00 0.00 C ATOM 424 C TYR A 31 -8.098 2.322 3.849 1.00 0.00 C ATOM 425 O TYR A 31 -8.186 3.227 4.680 1.00 0.00 O ATOM 426 CB TYR A 31 -7.991 3.537 1.665 1.00 0.00 C ATOM 427 CG TYR A 31 -8.375 3.570 0.202 1.00 0.00 C ATOM 428 CD1 TYR A 31 -8.024 2.533 -0.652 1.00 0.00 C ATOM 429 CD2 TYR A 31 -9.089 4.640 -0.324 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.372 2.560 -1.989 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.442 4.675 -1.659 1.00 0.00 C ATOM 432 CZ TYR A 31 -9.081 3.633 -2.488 1.00 0.00 C ATOM 433 OH TYR A 31 -9.431 3.663 -3.818 1.00 0.00 O ATOM 0 H TYR A 31 -10.333 3.737 2.915 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.643 1.509 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.193 4.513 2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.918 3.366 1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.470 1.691 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.373 5.458 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.090 1.745 -2.640 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.998 5.514 -2.052 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.928 4.486 -4.007 1.00 0.00 H new ATOM 443 N CYS A 32 -7.460 1.182 4.086 1.00 0.00 N ATOM 444 CA CYS A 32 -6.813 0.920 5.367 1.00 0.00 C ATOM 445 C CYS A 32 -5.332 0.610 5.175 1.00 0.00 C ATOM 446 O CYS A 32 -4.894 0.279 4.073 1.00 0.00 O ATOM 447 CB CYS A 32 -7.501 -0.245 6.081 1.00 0.00 C ATOM 448 SG CYS A 32 -9.107 0.175 6.800 1.00 0.00 S ATOM 0 H CYS A 32 -7.377 0.424 3.408 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.902 1.817 5.980 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.635 -1.063 5.373 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.846 -0.611 6.871 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.611 -0.874 7.379 1.00 0.00 H new ATOM 454 N VAL A 33 -4.565 0.722 6.254 1.00 0.00 N ATOM 455 CA VAL A 33 -3.132 0.454 6.205 1.00 0.00 C ATOM 456 C VAL A 33 -2.843 -1.029 6.407 1.00 0.00 C ATOM 457 O VAL A 33 -3.436 -1.677 7.270 1.00 0.00 O ATOM 458 CB VAL A 33 -2.373 1.264 7.273 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.953 1.002 8.654 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.889 0.932 7.237 1.00 0.00 C ATOM 0 H VAL A 33 -4.911 0.997 7.173 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.787 0.757 5.216 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.490 2.325 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.404 1.583 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.003 1.294 8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.868 -0.059 8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.368 1.513 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.749 -0.131 7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.485 1.176 6.254 1.00 0.00 H new ATOM 470 N LEU A 34 -1.927 -1.561 5.605 1.00 0.00 N ATOM 471 CA LEU A 34 -1.557 -2.970 5.695 1.00 0.00 C ATOM 472 C LEU A 34 -0.045 -3.143 5.600 1.00 0.00 C ATOM 473 O LEU A 34 0.666 -2.252 5.132 1.00 0.00 O ATOM 474 CB LEU A 34 -2.244 -3.770 4.587 1.00 0.00 C ATOM 475 CG LEU A 34 -3.748 -3.544 4.430 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.169 -3.743 2.982 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.526 -4.477 5.346 1.00 0.00 C ATOM 0 H LEU A 34 -1.427 -1.039 4.886 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.887 -3.346 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.760 -3.531 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.074 -4.830 4.773 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.973 -2.516 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.242 -3.578 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.637 -3.034 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.930 -4.760 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.595 -4.302 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.295 -5.512 5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.246 -4.287 6.382 1.00 0.00 H new ATOM 489 N THR A 35 0.443 -4.296 6.046 1.00 0.00 N ATOM 490 CA THR A 35 1.871 -4.587 6.011 1.00 0.00 C ATOM 491 C THR A 35 2.143 -5.925 5.334 1.00 0.00 C ATOM 492 O THR A 35 1.407 -6.893 5.531 1.00 0.00 O ATOM 493 CB THR A 35 2.475 -4.609 7.428 1.00 0.00 C ATOM 494 OG1 THR A 35 2.161 -3.391 8.113 1.00 0.00 O ATOM 495 CG2 THR A 35 3.984 -4.790 7.370 1.00 0.00 C ATOM 0 H THR A 35 -0.130 -5.044 6.436 1.00 0.00 H new ATOM 0 HA THR A 35 2.342 -3.790 5.436 1.00 0.00 H new ATOM 0 HB THR A 35 2.045 -5.451 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.547 -3.413 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.388 -4.802 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.219 -5.732 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.428 -3.966 6.812 1.00 0.00 H new ATOM 503 N VAL A 36 3.205 -5.975 4.536 1.00 0.00 N ATOM 504 CA VAL A 36 3.575 -7.196 3.831 1.00 0.00 C ATOM 505 C VAL A 36 4.119 -8.244 4.796 1.00 0.00 C ATOM 506 O VAL A 36 5.113 -8.013 5.483 1.00 0.00 O ATOM 507 CB VAL A 36 4.630 -6.919 2.744 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.819 -8.141 1.858 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.234 -5.706 1.915 1.00 0.00 C ATOM 0 H VAL A 36 3.824 -5.184 4.362 1.00 0.00 H new ATOM 0 HA VAL A 36 2.669 -7.576 3.359 1.00 0.00 H new ATOM 0 HB VAL A 36 5.581 -6.704 3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.568 -7.926 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.151 -8.983 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.874 -8.391 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.990 -5.524 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.272 -5.891 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.155 -4.833 2.563 1.00 0.00 H new ATOM 519 N ALA A 37 3.460 -9.398 4.840 1.00 0.00 N ATOM 520 CA ALA A 37 3.879 -10.483 5.719 1.00 0.00 C ATOM 521 C ALA A 37 4.533 -11.609 4.926 1.00 0.00 C ATOM 522 O ALA A 37 5.370 -12.343 5.450 1.00 0.00 O ATOM 523 CB ALA A 37 2.690 -11.011 6.508 1.00 0.00 C ATOM 0 H ALA A 37 2.635 -9.605 4.278 1.00 0.00 H new ATOM 0 HA ALA A 37 4.618 -10.089 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.017 -11.821 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.268 -10.207 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.932 -11.384 5.819 1.00 0.00 H new ATOM 529 N GLU A 38 4.144 -11.740 3.662 1.00 0.00 N ATOM 530 CA GLU A 38 4.692 -12.780 2.798 1.00 0.00 C ATOM 531 C GLU A 38 4.457 -12.446 1.328 1.00 0.00 C ATOM 532 O GLU A 38 3.590 -11.638 0.994 1.00 0.00 O ATOM 533 CB GLU A 38 4.064 -14.135 3.132 1.00 0.00 C ATOM 534 CG GLU A 38 4.986 -15.314 2.871 1.00 0.00 C ATOM 535 CD GLU A 38 4.850 -15.861 1.463 1.00 0.00 C ATOM 536 OE1 GLU A 38 3.927 -16.669 1.228 1.00 0.00 O ATOM 537 OE2 GLU A 38 5.665 -15.482 0.597 1.00 0.00 O ATOM 0 H GLU A 38 3.452 -11.140 3.213 1.00 0.00 H new ATOM 0 HA GLU A 38 5.767 -12.833 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.769 -14.141 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.154 -14.259 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.018 -15.007 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.768 -16.106 3.587 1.00 0.00 H new ATOM 544 N VAL A 39 5.237 -13.073 0.453 1.00 0.00 N ATOM 545 CA VAL A 39 5.114 -12.844 -0.982 1.00 0.00 C ATOM 546 C VAL A 39 5.283 -14.142 -1.762 1.00 0.00 C ATOM 547 O VAL A 39 6.293 -14.834 -1.624 1.00 0.00 O ATOM 548 CB VAL A 39 6.153 -11.820 -1.477 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.019 -11.607 -2.977 1.00 0.00 C ATOM 550 CG2 VAL A 39 6.004 -10.505 -0.728 1.00 0.00 C ATOM 0 H VAL A 39 5.961 -13.743 0.713 1.00 0.00 H new ATOM 0 HA VAL A 39 4.113 -12.448 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 39 7.150 -12.214 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.761 -10.881 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.180 -12.553 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.020 -11.235 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.746 -9.794 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.004 -10.103 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.155 -10.674 0.338 1.00 0.00 H new ATOM 560 N CYS A 40 4.290 -14.467 -2.582 1.00 0.00 N ATOM 561 CA CYS A 40 4.329 -15.684 -3.386 1.00 0.00 C ATOM 562 C CYS A 40 3.132 -15.750 -4.329 1.00 0.00 C ATOM 563 O CYS A 40 2.249 -14.895 -4.290 1.00 0.00 O ATOM 564 CB CYS A 40 4.350 -16.917 -2.481 1.00 0.00 C ATOM 565 SG CYS A 40 5.211 -18.339 -3.192 1.00 0.00 S ATOM 0 H CYS A 40 3.448 -13.905 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 40 5.240 -15.667 -3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.825 -16.653 -1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.324 -17.204 -2.252 1.00 0.00 H new ATOM 0 HG CYS A 40 5.177 -19.331 -2.352 1.00 0.00 H new ATOM 571 N GLY A 41 3.111 -16.773 -5.179 1.00 0.00 N ATOM 572 CA GLY A 41 2.019 -16.931 -6.122 1.00 0.00 C ATOM 573 C GLY A 41 1.567 -15.610 -6.713 1.00 0.00 C ATOM 574 O GLY A 41 0.419 -15.204 -6.535 1.00 0.00 O ATOM 0 H GLY A 41 3.830 -17.494 -5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.331 -17.597 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.177 -17.408 -5.621 1.00 0.00 H new ATOM 578 N TYR A 42 2.472 -14.938 -7.416 1.00 0.00 N ATOM 579 CA TYR A 42 2.161 -13.653 -8.031 1.00 0.00 C ATOM 580 C TYR A 42 1.185 -12.859 -7.170 1.00 0.00 C ATOM 581 O TYR A 42 0.309 -12.163 -7.685 1.00 0.00 O ATOM 582 CB TYR A 42 1.573 -13.862 -9.428 1.00 0.00 C ATOM 583 CG TYR A 42 1.873 -12.732 -10.386 1.00 0.00 C ATOM 584 CD1 TYR A 42 1.049 -11.615 -10.455 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.982 -12.780 -11.223 1.00 0.00 C ATOM 586 CE1 TYR A 42 1.319 -10.581 -11.329 1.00 0.00 C ATOM 587 CE2 TYR A 42 3.260 -11.749 -12.100 1.00 0.00 C ATOM 588 CZ TYR A 42 2.426 -10.652 -12.150 1.00 0.00 C ATOM 589 OH TYR A 42 2.699 -9.623 -13.021 1.00 0.00 O ATOM 0 H TYR A 42 3.426 -15.262 -7.574 1.00 0.00 H new ATOM 0 HA TYR A 42 3.088 -13.085 -8.115 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.963 -14.792 -9.842 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.493 -13.979 -9.345 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.182 -11.555 -9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.637 -13.638 -11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.667 -9.721 -11.370 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.126 -11.802 -12.743 1.00 0.00 H new ATOM 0 HH TYR A 42 3.514 -9.829 -13.525 1.00 0.00 H new ATOM 599 N ARG A 43 1.343 -12.967 -5.855 1.00 0.00 N ATOM 600 CA ARG A 43 0.476 -12.259 -4.920 1.00 0.00 C ATOM 601 C ARG A 43 1.235 -11.888 -3.649 1.00 0.00 C ATOM 602 O ARG A 43 2.219 -12.536 -3.291 1.00 0.00 O ATOM 603 CB ARG A 43 -0.740 -13.118 -4.569 1.00 0.00 C ATOM 604 CG ARG A 43 -1.843 -13.069 -5.614 1.00 0.00 C ATOM 605 CD ARG A 43 -3.064 -13.859 -5.172 1.00 0.00 C ATOM 606 NE ARG A 43 -4.062 -13.964 -6.233 1.00 0.00 N ATOM 607 CZ ARG A 43 -5.352 -14.184 -6.010 1.00 0.00 C ATOM 608 NH1 ARG A 43 -5.800 -14.321 -4.769 1.00 0.00 N ATOM 609 NH2 ARG A 43 -6.199 -14.266 -7.029 1.00 0.00 N ATOM 0 H ARG A 43 2.063 -13.538 -5.413 1.00 0.00 H new ATOM 0 HA ARG A 43 0.137 -11.341 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.419 -14.152 -4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.143 -12.788 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.126 -12.033 -5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.471 -13.470 -6.557 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.757 -14.858 -4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.510 -13.379 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.751 -13.863 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.153 -14.257 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.792 -14.490 -4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.859 -14.160 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.190 -14.435 -6.856 1.00 0.00 H new ATOM 623 N ILE A 44 0.770 -10.843 -2.972 1.00 0.00 N ATOM 624 CA ILE A 44 1.404 -10.388 -1.742 1.00 0.00 C ATOM 625 C ILE A 44 0.440 -10.468 -0.564 1.00 0.00 C ATOM 626 O ILE A 44 -0.737 -10.127 -0.686 1.00 0.00 O ATOM 627 CB ILE A 44 1.916 -8.941 -1.874 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.779 -8.013 -2.307 1.00 0.00 C ATOM 629 CG2 ILE A 44 3.067 -8.875 -2.866 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.120 -6.544 -2.189 1.00 0.00 C ATOM 0 H ILE A 44 -0.043 -10.296 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 44 2.251 -11.050 -1.561 1.00 0.00 H new ATOM 0 HB ILE A 44 2.281 -8.610 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.514 -8.234 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.102 -8.223 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.418 -7.846 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.883 -9.510 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.727 -9.221 -3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.268 -5.946 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.356 -6.308 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.981 -6.319 -2.818 1.00 0.00 H new ATOM 642 N LYS A 45 0.946 -10.920 0.579 1.00 0.00 N ATOM 643 CA LYS A 45 0.131 -11.043 1.782 1.00 0.00 C ATOM 644 C LYS A 45 -0.119 -9.676 2.412 1.00 0.00 C ATOM 645 O LYS A 45 0.792 -8.853 2.515 1.00 0.00 O ATOM 646 CB LYS A 45 0.814 -11.965 2.793 1.00 0.00 C ATOM 647 CG LYS A 45 -0.154 -12.658 3.737 1.00 0.00 C ATOM 648 CD LYS A 45 0.513 -13.804 4.478 1.00 0.00 C ATOM 649 CE LYS A 45 -0.514 -14.770 5.049 1.00 0.00 C ATOM 650 NZ LYS A 45 0.020 -16.158 5.138 1.00 0.00 N ATOM 0 H LYS A 45 1.918 -11.207 0.697 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.829 -11.474 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.386 -12.720 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.526 -11.384 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.542 -11.936 4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.006 -13.036 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.179 -14.338 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.129 -13.407 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.818 -14.433 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.406 -14.763 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.709 -16.786 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.286 -16.489 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.857 -16.169 5.756 1.00 0.00 H new ATOM 664 N LEU A 46 -1.357 -9.441 2.832 1.00 0.00 N ATOM 665 CA LEU A 46 -1.726 -8.174 3.454 1.00 0.00 C ATOM 666 C LEU A 46 -2.093 -8.374 4.921 1.00 0.00 C ATOM 667 O LEU A 46 -3.092 -9.021 5.239 1.00 0.00 O ATOM 668 CB LEU A 46 -2.899 -7.539 2.705 1.00 0.00 C ATOM 669 CG LEU A 46 -2.584 -6.977 1.318 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.547 -5.869 1.414 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.102 -8.084 0.392 1.00 0.00 C ATOM 0 H LEU A 46 -2.122 -10.111 2.753 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.865 -7.507 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.686 -8.286 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.303 -6.733 3.318 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.498 -6.555 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.335 -5.481 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.931 -5.065 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.631 -6.265 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.882 -7.667 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.200 -8.536 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.878 -8.844 0.298 1.00 0.00 H new ATOM 683 N HIS A 47 -1.280 -7.813 5.811 1.00 0.00 N ATOM 684 CA HIS A 47 -1.521 -7.928 7.245 1.00 0.00 C ATOM 685 C HIS A 47 -1.791 -6.558 7.861 1.00 0.00 C ATOM 686 O HIS A 47 -0.918 -5.691 7.878 1.00 0.00 O ATOM 687 CB HIS A 47 -0.324 -8.583 7.934 1.00 0.00 C ATOM 688 CG HIS A 47 -0.176 -8.197 9.373 1.00 0.00 C ATOM 689 ND1 HIS A 47 -0.732 -8.921 10.407 1.00 0.00 N ATOM 690 CD2 HIS A 47 0.471 -7.157 9.949 1.00 0.00 C ATOM 691 CE1 HIS A 47 -0.435 -8.342 11.557 1.00 0.00 C ATOM 692 NE2 HIS A 47 0.295 -7.270 11.307 1.00 0.00 N ATOM 0 H HIS A 47 -0.449 -7.275 5.565 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.401 -8.554 7.392 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.424 -9.666 7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.586 -8.312 7.398 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.023 -6.383 9.437 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.738 -8.687 12.535 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.668 -6.630 12.008 1.00 0.00 H new ATOM 701 N PHE A 48 -3.006 -6.371 8.366 1.00 0.00 N ATOM 702 CA PHE A 48 -3.392 -5.107 8.982 1.00 0.00 C ATOM 703 C PHE A 48 -2.399 -4.707 10.070 1.00 0.00 C ATOM 704 O PHE A 48 -1.742 -5.558 10.669 1.00 0.00 O ATOM 705 CB PHE A 48 -4.799 -5.211 9.573 1.00 0.00 C ATOM 706 CG PHE A 48 -5.888 -5.163 8.540 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.225 -3.968 7.924 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.575 -6.313 8.184 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.227 -3.921 6.973 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.578 -6.272 7.234 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.904 -5.074 6.627 1.00 0.00 C ATOM 0 H PHE A 48 -3.740 -7.079 8.361 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.387 -4.339 8.209 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.881 -6.142 10.133 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.947 -4.398 10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.699 -3.063 8.190 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.324 -7.252 8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.480 -2.983 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.106 -7.175 6.966 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.687 -5.039 5.884 1.00 0.00 H new ATOM 721 N ASP A 49 -2.296 -3.406 10.318 1.00 0.00 N ATOM 722 CA ASP A 49 -1.385 -2.892 11.334 1.00 0.00 C ATOM 723 C ASP A 49 -1.793 -3.371 12.724 1.00 0.00 C ATOM 724 O ASP A 49 -0.970 -3.883 13.481 1.00 0.00 O ATOM 725 CB ASP A 49 -1.356 -1.363 11.297 1.00 0.00 C ATOM 726 CG ASP A 49 -0.608 -0.769 12.474 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.919 -1.142 13.624 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.289 0.069 12.245 1.00 0.00 O ATOM 0 H ASP A 49 -2.832 -2.688 9.830 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.387 -3.273 11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.888 -1.034 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.378 -0.983 11.291 1.00 0.00 H new ATOM 733 N GLY A 50 -3.071 -3.201 13.051 1.00 0.00 N ATOM 734 CA GLY A 50 -3.565 -3.621 14.350 1.00 0.00 C ATOM 735 C GLY A 50 -4.469 -4.835 14.261 1.00 0.00 C ATOM 736 O GLY A 50 -4.205 -5.861 14.888 1.00 0.00 O ATOM 0 H GLY A 50 -3.772 -2.781 12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.720 -3.848 15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.111 -2.798 14.811 1.00 0.00 H new ATOM 740 N TYR A 51 -5.539 -4.718 13.482 1.00 0.00 N ATOM 741 CA TYR A 51 -6.487 -5.813 13.317 1.00 0.00 C ATOM 742 C TYR A 51 -5.775 -7.162 13.362 1.00 0.00 C ATOM 743 O TYR A 51 -4.706 -7.333 12.776 1.00 0.00 O ATOM 744 CB TYR A 51 -7.242 -5.667 11.995 1.00 0.00 C ATOM 745 CG TYR A 51 -8.207 -4.503 11.974 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.412 -4.562 12.664 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.914 -3.345 11.264 1.00 0.00 C ATOM 748 CE1 TYR A 51 -10.297 -3.501 12.647 1.00 0.00 C ATOM 749 CE2 TYR A 51 -8.792 -2.279 11.243 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.982 -2.362 11.936 1.00 0.00 C ATOM 751 OH TYR A 51 -10.860 -1.303 11.916 1.00 0.00 O ATOM 0 H TYR A 51 -5.771 -3.876 12.955 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.199 -5.770 14.141 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.521 -5.545 11.186 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.791 -6.587 11.797 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.661 -5.452 13.223 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.984 -3.277 10.719 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.230 -3.563 13.187 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.548 -1.386 10.687 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.487 -0.579 11.371 1.00 0.00 H new ATOM 761 N SER A 52 -6.376 -8.118 14.063 1.00 0.00 N ATOM 762 CA SER A 52 -5.800 -9.452 14.189 1.00 0.00 C ATOM 763 C SER A 52 -5.281 -9.948 12.843 1.00 0.00 C ATOM 764 O SER A 52 -5.799 -9.576 11.790 1.00 0.00 O ATOM 765 CB SER A 52 -6.839 -10.430 14.740 1.00 0.00 C ATOM 766 OG SER A 52 -6.221 -11.459 15.493 1.00 0.00 O ATOM 0 H SER A 52 -7.262 -7.994 14.553 1.00 0.00 H new ATOM 0 HA SER A 52 -4.962 -9.395 14.884 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.551 -9.894 15.367 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.405 -10.867 13.917 1.00 0.00 H new ATOM 0 HG SER A 52 -6.906 -12.070 15.836 1.00 0.00 H new ATOM 772 N ASP A 53 -4.255 -10.791 12.886 1.00 0.00 N ATOM 773 CA ASP A 53 -3.665 -11.340 11.670 1.00 0.00 C ATOM 774 C ASP A 53 -4.409 -12.596 11.226 1.00 0.00 C ATOM 775 O ASP A 53 -3.813 -13.515 10.663 1.00 0.00 O ATOM 776 CB ASP A 53 -2.187 -11.661 11.895 1.00 0.00 C ATOM 777 CG ASP A 53 -1.980 -13.014 12.547 1.00 0.00 C ATOM 778 OD1 ASP A 53 -2.172 -13.116 13.777 1.00 0.00 O ATOM 779 OD2 ASP A 53 -1.628 -13.971 11.827 1.00 0.00 O ATOM 0 H ASP A 53 -3.815 -11.109 13.749 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.750 -10.591 10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.664 -11.638 10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.742 -10.888 12.521 1.00 0.00 H new ATOM 784 N CYS A 54 -5.712 -12.628 11.482 1.00 0.00 N ATOM 785 CA CYS A 54 -6.537 -13.771 11.110 1.00 0.00 C ATOM 786 C CYS A 54 -7.250 -13.519 9.785 1.00 0.00 C ATOM 787 O CYS A 54 -7.393 -14.425 8.963 1.00 0.00 O ATOM 788 CB CYS A 54 -7.561 -14.066 12.206 1.00 0.00 C ATOM 789 SG CYS A 54 -6.852 -14.790 13.704 1.00 0.00 S ATOM 0 H CYS A 54 -6.220 -11.875 11.946 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.884 -14.636 10.992 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.072 -13.140 12.470 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.316 -14.745 11.810 1.00 0.00 H new ATOM 0 HG CYS A 54 -7.796 -15.001 14.573 1.00 0.00 H new ATOM 795 N TYR A 55 -7.697 -12.284 9.586 1.00 0.00 N ATOM 796 CA TYR A 55 -8.399 -11.914 8.363 1.00 0.00 C ATOM 797 C TYR A 55 -7.413 -11.527 7.265 1.00 0.00 C ATOM 798 O TYR A 55 -7.670 -10.617 6.476 1.00 0.00 O ATOM 799 CB TYR A 55 -9.360 -10.755 8.633 1.00 0.00 C ATOM 800 CG TYR A 55 -10.145 -10.906 9.916 1.00 0.00 C ATOM 801 CD1 TYR A 55 -11.364 -11.572 9.933 1.00 0.00 C ATOM 802 CD2 TYR A 55 -9.668 -10.382 11.111 1.00 0.00 C ATOM 803 CE1 TYR A 55 -12.085 -11.712 11.103 1.00 0.00 C ATOM 804 CE2 TYR A 55 -10.381 -10.518 12.286 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.590 -11.183 12.277 1.00 0.00 C ATOM 806 OH TYR A 55 -12.305 -11.321 13.445 1.00 0.00 O ATOM 0 H TYR A 55 -7.586 -11.523 10.256 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.970 -12.779 8.025 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.793 -9.825 8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.056 -10.669 7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.755 -11.987 9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.723 -9.859 11.121 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.031 -12.233 11.099 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.994 -10.106 13.207 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.817 -10.893 14.180 1.00 0.00 H new ATOM 816 N ASP A 56 -6.284 -12.226 7.219 1.00 0.00 N ATOM 817 CA ASP A 56 -5.259 -11.958 6.217 1.00 0.00 C ATOM 818 C ASP A 56 -5.773 -12.274 4.816 1.00 0.00 C ATOM 819 O ASP A 56 -6.365 -13.328 4.584 1.00 0.00 O ATOM 820 CB ASP A 56 -4.002 -12.779 6.510 1.00 0.00 C ATOM 821 CG ASP A 56 -4.296 -14.261 6.637 1.00 0.00 C ATOM 822 OD1 ASP A 56 -4.556 -14.906 5.600 1.00 0.00 O ATOM 823 OD2 ASP A 56 -4.264 -14.776 7.774 1.00 0.00 O ATOM 0 H ASP A 56 -6.056 -12.982 7.864 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.010 -10.898 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.275 -12.623 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.545 -12.422 7.433 1.00 0.00 H new ATOM 828 N PHE A 57 -5.544 -11.353 3.886 1.00 0.00 N ATOM 829 CA PHE A 57 -5.986 -11.532 2.508 1.00 0.00 C ATOM 830 C PHE A 57 -4.869 -11.181 1.529 1.00 0.00 C ATOM 831 O PHE A 57 -4.044 -10.308 1.799 1.00 0.00 O ATOM 832 CB PHE A 57 -7.216 -10.667 2.228 1.00 0.00 C ATOM 833 CG PHE A 57 -7.002 -9.209 2.516 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.455 -8.372 1.556 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.347 -8.674 3.747 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.256 -7.030 1.818 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.152 -7.332 4.014 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.604 -6.509 3.049 1.00 0.00 C ATOM 0 H PHE A 57 -5.055 -10.475 4.061 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.250 -12.581 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.502 -10.784 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.050 -11.029 2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.181 -8.774 0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.773 -9.313 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.829 -6.389 1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.428 -6.927 4.976 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.448 -5.461 3.257 1.00 0.00 H new ATOM 848 N TRP A 58 -4.851 -11.866 0.392 1.00 0.00 N ATOM 849 CA TRP A 58 -3.835 -11.627 -0.628 1.00 0.00 C ATOM 850 C TRP A 58 -4.414 -10.839 -1.798 1.00 0.00 C ATOM 851 O TRP A 58 -5.485 -11.166 -2.310 1.00 0.00 O ATOM 852 CB TRP A 58 -3.260 -12.955 -1.126 1.00 0.00 C ATOM 853 CG TRP A 58 -2.469 -13.686 -0.084 1.00 0.00 C ATOM 854 CD1 TRP A 58 -2.949 -14.257 1.060 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.057 -13.924 -0.091 1.00 0.00 C ATOM 856 NE1 TRP A 58 -1.921 -14.835 1.764 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.750 -14.646 1.079 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.023 -13.600 -0.973 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.547 -15.045 1.388 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.265 -13.997 -0.665 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.540 -14.714 0.507 1.00 0.00 C ATOM 0 H TRP A 58 -5.527 -12.591 0.152 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.035 -11.039 -0.178 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.077 -13.592 -1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.623 -12.766 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.985 -14.254 1.366 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.014 -15.326 2.653 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.226 -13.049 -1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.762 -15.596 2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.072 -13.750 -1.339 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.556 -15.011 0.719 1.00 0.00 H new ATOM 872 N VAL A 59 -3.699 -9.800 -2.217 1.00 0.00 N ATOM 873 CA VAL A 59 -4.142 -8.966 -3.329 1.00 0.00 C ATOM 874 C VAL A 59 -3.236 -9.142 -4.543 1.00 0.00 C ATOM 875 O VAL A 59 -2.197 -9.796 -4.465 1.00 0.00 O ATOM 876 CB VAL A 59 -4.171 -7.477 -2.936 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.989 -7.275 -1.669 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.757 -6.945 -2.758 1.00 0.00 C ATOM 0 H VAL A 59 -2.811 -9.515 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.152 -9.287 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.647 -6.916 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.998 -6.217 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.011 -7.616 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.545 -7.847 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.797 -5.892 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.252 -7.508 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.207 -7.053 -3.693 1.00 0.00 H new ATOM 888 N ASN A 60 -3.638 -8.553 -5.664 1.00 0.00 N ATOM 889 CA ASN A 60 -2.863 -8.645 -6.896 1.00 0.00 C ATOM 890 C ASN A 60 -1.613 -7.774 -6.818 1.00 0.00 C ATOM 891 O ASN A 60 -1.698 -6.567 -6.590 1.00 0.00 O ATOM 892 CB ASN A 60 -3.717 -8.225 -8.094 1.00 0.00 C ATOM 893 CG ASN A 60 -5.089 -8.872 -8.080 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.266 -9.967 -7.547 1.00 0.00 O ATOM 895 ND2 ASN A 60 -6.068 -8.194 -8.669 1.00 0.00 N ATOM 0 H ASN A 60 -4.496 -8.007 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.554 -9.682 -7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.829 -7.141 -8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.201 -8.493 -9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.013 -8.578 -8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.875 -7.289 -9.098 1.00 0.00 H new ATOM 902 N ALA A 61 -0.453 -8.393 -7.010 1.00 0.00 N ATOM 903 CA ALA A 61 0.814 -7.675 -6.964 1.00 0.00 C ATOM 904 C ALA A 61 0.712 -6.335 -7.686 1.00 0.00 C ATOM 905 O ALA A 61 1.264 -5.332 -7.234 1.00 0.00 O ATOM 906 CB ALA A 61 1.923 -8.520 -7.573 1.00 0.00 C ATOM 0 H ALA A 61 -0.365 -9.391 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 61 1.054 -7.479 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.863 -7.971 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.021 -9.450 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.680 -8.746 -8.611 1.00 0.00 H new ATOM 912 N ASP A 62 0.003 -6.327 -8.810 1.00 0.00 N ATOM 913 CA ASP A 62 -0.172 -5.110 -9.594 1.00 0.00 C ATOM 914 C ASP A 62 -1.601 -4.589 -9.477 1.00 0.00 C ATOM 915 O ASP A 62 -2.201 -4.167 -10.466 1.00 0.00 O ATOM 916 CB ASP A 62 0.171 -5.370 -11.062 1.00 0.00 C ATOM 917 CG ASP A 62 1.662 -5.524 -11.290 1.00 0.00 C ATOM 918 OD1 ASP A 62 2.444 -4.948 -10.506 1.00 0.00 O ATOM 919 OD2 ASP A 62 2.046 -6.220 -12.253 1.00 0.00 O ATOM 0 H ASP A 62 -0.459 -7.149 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 62 0.505 -4.352 -9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.340 -6.273 -11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.204 -4.547 -11.671 1.00 0.00 H new ATOM 924 N ALA A 63 -2.140 -4.623 -8.263 1.00 0.00 N ATOM 925 CA ALA A 63 -3.498 -4.153 -8.017 1.00 0.00 C ATOM 926 C ALA A 63 -3.548 -2.630 -7.947 1.00 0.00 C ATOM 927 O ALA A 63 -2.531 -1.975 -7.718 1.00 0.00 O ATOM 928 CB ALA A 63 -4.042 -4.760 -6.732 1.00 0.00 C ATOM 0 H ALA A 63 -1.657 -4.971 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.123 -4.473 -8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.057 -4.400 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.052 -5.847 -6.819 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.408 -4.468 -5.895 1.00 0.00 H new ATOM 934 N LEU A 64 -4.737 -2.073 -8.148 1.00 0.00 N ATOM 935 CA LEU A 64 -4.920 -0.626 -8.109 1.00 0.00 C ATOM 936 C LEU A 64 -5.285 -0.161 -6.702 1.00 0.00 C ATOM 937 O LEU A 64 -4.689 0.778 -6.174 1.00 0.00 O ATOM 938 CB LEU A 64 -6.008 -0.202 -9.097 1.00 0.00 C ATOM 939 CG LEU A 64 -5.833 -0.687 -10.536 1.00 0.00 C ATOM 940 CD1 LEU A 64 -7.144 -0.576 -11.300 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.738 0.105 -11.236 1.00 0.00 C ATOM 0 H LEU A 64 -5.589 -2.601 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.978 -0.158 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.968 -0.563 -8.727 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.059 0.887 -9.105 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.537 -1.736 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.000 -0.926 -12.322 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.903 -1.187 -10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.470 0.464 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.627 -0.254 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.005 1.162 -11.249 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.797 -0.025 -10.702 1.00 0.00 H new ATOM 953 N ASP A 65 -6.264 -0.827 -6.101 1.00 0.00 N ATOM 954 CA ASP A 65 -6.707 -0.484 -4.754 1.00 0.00 C ATOM 955 C ASP A 65 -5.514 -0.223 -3.840 1.00 0.00 C ATOM 956 O ASP A 65 -5.524 0.714 -3.041 1.00 0.00 O ATOM 957 CB ASP A 65 -7.571 -1.606 -4.177 1.00 0.00 C ATOM 958 CG ASP A 65 -6.990 -2.981 -4.445 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.077 -3.448 -5.600 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.446 -3.589 -3.499 1.00 0.00 O ATOM 0 H ASP A 65 -6.766 -1.607 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.302 0.427 -4.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.677 -1.463 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.571 -1.548 -4.606 1.00 0.00 H new ATOM 965 N ILE A 66 -4.487 -1.059 -3.962 1.00 0.00 N ATOM 966 CA ILE A 66 -3.287 -0.918 -3.147 1.00 0.00 C ATOM 967 C ILE A 66 -2.467 0.292 -3.581 1.00 0.00 C ATOM 968 O ILE A 66 -2.416 0.630 -4.764 1.00 0.00 O ATOM 969 CB ILE A 66 -2.404 -2.177 -3.224 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.920 -2.401 -4.659 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.169 -3.393 -2.722 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.691 -3.278 -4.752 1.00 0.00 C ATOM 0 H ILE A 66 -4.463 -1.840 -4.617 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.618 -0.779 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.533 -2.031 -2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.724 -2.854 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.703 -1.435 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.531 -4.275 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.468 -3.232 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.056 -3.544 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.405 -3.393 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.128 -2.816 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.909 -4.257 -4.325 1.00 0.00 H new ATOM 984 N HIS A 67 -1.824 0.941 -2.616 1.00 0.00 N ATOM 985 CA HIS A 67 -1.002 2.113 -2.898 1.00 0.00 C ATOM 986 C HIS A 67 0.130 2.240 -1.883 1.00 0.00 C ATOM 987 O HIS A 67 0.024 1.797 -0.740 1.00 0.00 O ATOM 988 CB HIS A 67 -1.860 3.378 -2.883 1.00 0.00 C ATOM 989 CG HIS A 67 -2.750 3.513 -4.080 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.267 3.632 -5.367 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.099 3.545 -4.182 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.282 3.733 -6.207 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.404 3.683 -5.513 1.00 0.00 N ATOM 0 H HIS A 67 -1.856 0.676 -1.632 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.565 1.990 -3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.474 3.380 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.207 4.249 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.805 3.475 -3.367 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.207 3.839 -7.279 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.345 3.738 -5.903 1.00 0.00 H new ATOM 1002 N PRO A 68 1.241 2.858 -2.310 1.00 0.00 N ATOM 1003 CA PRO A 68 2.415 3.057 -1.455 1.00 0.00 C ATOM 1004 C PRO A 68 2.158 4.072 -0.346 1.00 0.00 C ATOM 1005 O PRO A 68 1.363 4.997 -0.509 1.00 0.00 O ATOM 1006 CB PRO A 68 3.476 3.582 -2.425 1.00 0.00 C ATOM 1007 CG PRO A 68 2.701 4.215 -3.528 1.00 0.00 C ATOM 1008 CD PRO A 68 1.437 3.411 -3.661 1.00 0.00 C ATOM 0 HA PRO A 68 2.705 2.141 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.134 4.303 -1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.107 2.774 -2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.478 5.257 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.269 4.206 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.596 4.033 -3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.539 2.623 -4.407 1.00 0.00 H new ATOM 1016 N VAL A 69 2.837 3.892 0.783 1.00 0.00 N ATOM 1017 CA VAL A 69 2.684 4.794 1.919 1.00 0.00 C ATOM 1018 C VAL A 69 2.609 6.246 1.462 1.00 0.00 C ATOM 1019 O VAL A 69 3.239 6.631 0.478 1.00 0.00 O ATOM 1020 CB VAL A 69 3.846 4.640 2.918 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.731 5.669 4.032 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.877 3.229 3.485 1.00 0.00 C ATOM 0 H VAL A 69 3.498 3.130 0.935 1.00 0.00 H new ATOM 0 HA VAL A 69 1.751 4.524 2.414 1.00 0.00 H new ATOM 0 HB VAL A 69 4.783 4.815 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.560 5.545 4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.762 6.672 3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.789 5.528 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.704 3.138 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.938 3.023 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.011 2.514 2.674 1.00 0.00 H new ATOM 1032 N GLY A 70 1.834 7.049 2.184 1.00 0.00 N ATOM 1033 CA GLY A 70 1.692 8.451 1.838 1.00 0.00 C ATOM 1034 C GLY A 70 0.871 8.657 0.580 1.00 0.00 C ATOM 1035 O GLY A 70 1.186 9.520 -0.240 1.00 0.00 O ATOM 0 H GLY A 70 1.302 6.754 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.221 8.981 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.680 8.890 1.699 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.182 7.863 0.427 1.00 0.00 N ATOM 1040 CA TRP A 71 -1.049 7.962 -0.742 1.00 0.00 C ATOM 1041 C TRP A 71 -2.249 8.857 -0.456 1.00 0.00 C ATOM 1042 O TRP A 71 -2.553 9.769 -1.226 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.524 6.572 -1.169 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.251 6.569 -2.479 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.694 6.566 -3.726 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.670 6.570 -2.672 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.681 6.566 -4.682 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -3.902 6.568 -4.061 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.767 6.572 -1.806 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.185 6.568 -4.602 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.040 6.572 -2.344 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.241 6.569 -3.731 1.00 0.00 C ATOM 0 H TRP A 71 -0.456 7.144 1.097 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.473 8.407 -1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.663 5.907 -1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.179 6.167 -0.397 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.634 6.564 -3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.529 6.565 -5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.622 6.574 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.341 6.567 -5.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.895 6.574 -1.684 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.248 6.567 -4.120 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.928 8.592 0.655 1.00 0.00 N ATOM 1064 CA CYS A 72 -4.096 9.374 1.042 1.00 0.00 C ATOM 1065 C CYS A 72 -3.823 10.868 0.897 1.00 0.00 C ATOM 1066 O CYS A 72 -4.661 11.615 0.392 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.495 9.054 2.484 1.00 0.00 C ATOM 1068 SG CYS A 72 -3.189 9.360 3.696 1.00 0.00 S ATOM 0 H CYS A 72 -2.689 7.842 1.303 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.918 9.107 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.369 9.650 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.793 8.007 2.543 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.622 9.062 4.885 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.647 11.295 1.344 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.265 12.700 1.265 1.00 0.00 C ATOM 1076 C GLU A 73 -1.876 13.079 -0.161 1.00 0.00 C ATOM 1077 O GLU A 73 -2.163 14.184 -0.622 1.00 0.00 O ATOM 1078 CB GLU A 73 -1.103 12.990 2.217 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.902 14.470 2.499 1.00 0.00 C ATOM 1080 CD GLU A 73 0.505 14.788 2.968 1.00 0.00 C ATOM 1081 OE1 GLU A 73 1.466 14.341 2.308 1.00 0.00 O ATOM 1082 OE2 GLU A 73 0.644 15.485 3.995 1.00 0.00 O ATOM 0 H GLU A 73 -1.942 10.689 1.764 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.125 13.301 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.277 12.470 3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.186 12.582 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.118 15.041 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.615 14.792 3.258 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.220 12.155 -0.854 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.791 12.390 -2.227 1.00 0.00 C ATOM 1091 C LYS A 74 -1.983 12.712 -3.123 1.00 0.00 C ATOM 1092 O LYS A 74 -2.027 13.764 -3.762 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.050 11.165 -2.768 1.00 0.00 C ATOM 1094 CG LYS A 74 0.563 11.381 -4.141 1.00 0.00 C ATOM 1095 CD LYS A 74 -0.406 11.006 -5.250 1.00 0.00 C ATOM 1096 CE LYS A 74 0.126 11.413 -6.616 1.00 0.00 C ATOM 1097 NZ LYS A 74 -0.241 12.815 -6.958 1.00 0.00 N ATOM 0 H LYS A 74 -0.974 11.236 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.116 13.246 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.738 10.889 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.742 10.324 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.855 12.425 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.471 10.785 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.582 9.930 -5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.367 11.489 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.211 11.308 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.269 10.738 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.140 13.055 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.277 12.910 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.157 13.461 -6.247 1.00 0.00 H new ATOM 1111 N THR A 75 -2.950 11.801 -3.163 1.00 0.00 N ATOM 1112 CA THR A 75 -4.143 11.988 -3.980 1.00 0.00 C ATOM 1113 C THR A 75 -5.137 12.919 -3.294 1.00 0.00 C ATOM 1114 O THR A 75 -5.649 13.855 -3.907 1.00 0.00 O ATOM 1115 CB THR A 75 -4.836 10.645 -4.278 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.281 10.042 -3.058 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.892 9.698 -5.003 1.00 0.00 C ATOM 0 H THR A 75 -2.931 10.926 -2.639 1.00 0.00 H new ATOM 0 HA THR A 75 -3.817 12.436 -4.919 1.00 0.00 H new ATOM 0 HB THR A 75 -5.695 10.839 -4.921 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.480 9.095 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.404 8.756 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.578 10.147 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.016 9.510 -4.381 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.406 12.655 -2.019 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.338 13.479 -1.272 1.00 0.00 C ATOM 1127 C GLY A 76 -7.554 12.703 -0.808 1.00 0.00 C ATOM 1128 O GLY A 76 -8.690 13.113 -1.049 1.00 0.00 O ATOM 0 H GLY A 76 -4.995 11.885 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.830 13.904 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.659 14.314 -1.894 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.318 11.578 -0.141 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.404 10.741 0.357 1.00 0.00 C ATOM 1134 C HIS A 77 -8.327 10.597 1.874 1.00 0.00 C ATOM 1135 O HIS A 77 -7.256 10.722 2.467 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.357 9.362 -0.301 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.503 8.476 0.081 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -9.571 7.812 1.287 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -10.631 8.149 -0.592 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -10.690 7.112 1.339 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.352 7.301 0.212 1.00 0.00 N ATOM 0 H HIS A 77 -6.384 11.225 0.067 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.348 11.224 0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.349 9.485 -1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.423 8.871 -0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.911 8.491 -1.577 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.009 6.491 2.163 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -12.253 6.885 -0.023 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.471 10.335 2.497 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.535 10.173 3.945 1.00 0.00 C ATOM 1152 C LYS A 78 -9.177 8.747 4.349 1.00 0.00 C ATOM 1153 O LYS A 78 -10.001 7.836 4.247 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.934 10.524 4.456 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.958 10.955 5.913 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.566 12.415 6.069 1.00 0.00 C ATOM 1157 CE LYS A 78 -10.414 12.798 7.533 1.00 0.00 C ATOM 1158 NZ LYS A 78 -9.131 12.304 8.105 1.00 0.00 N ATOM 0 H LYS A 78 -10.367 10.230 2.021 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.810 10.852 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.346 11.325 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.585 9.659 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.956 10.799 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.276 10.330 6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.628 12.599 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.322 13.047 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.462 13.882 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.248 12.389 8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.010 12.684 9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.145 11.265 8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.340 12.618 7.506 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.946 8.559 4.810 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.479 7.242 5.232 1.00 0.00 C ATOM 1174 C LEU A 79 -8.080 6.858 6.580 1.00 0.00 C ATOM 1175 O LEU A 79 -8.298 7.712 7.440 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.952 7.223 5.317 1.00 0.00 C ATOM 1177 CG LEU A 79 -5.339 6.083 6.131 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.603 4.745 5.458 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.845 6.304 6.317 1.00 0.00 C ATOM 0 H LEU A 79 -7.252 9.301 4.901 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.804 6.513 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.552 7.175 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.620 8.168 5.746 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.809 6.070 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.159 3.945 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.678 4.584 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.161 4.745 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.425 5.483 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.359 6.344 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.679 7.244 6.844 1.00 0.00 H new ATOM 1191 N HIS A 80 -8.344 5.568 6.759 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.917 5.070 8.004 1.00 0.00 C ATOM 1193 C HIS A 80 -7.870 4.320 8.822 1.00 0.00 C ATOM 1194 O HIS A 80 -7.143 3.467 8.313 1.00 0.00 O ATOM 1195 CB HIS A 80 -10.105 4.153 7.713 1.00 0.00 C ATOM 1196 CG HIS A 80 -11.295 4.873 7.157 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -11.377 5.986 6.389 1.00 0.00 N flip ATOM 1198 CD2 HIS A 80 -12.593 4.462 7.373 1.00 0.00 C flip ATOM 1199 CE1 HIS A 80 -12.710 6.223 6.158 1.00 0.00 C flip ATOM 1200 NE2 HIS A 80 -13.423 5.289 6.762 1.00 0.00 N flip ATOM 0 H HIS A 80 -8.170 4.848 6.057 1.00 0.00 H new ATOM 0 HA HIS A 80 -9.262 5.926 8.584 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.794 3.382 7.007 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.395 3.645 8.633 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.886 3.598 7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.110 7.040 5.577 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -14.441 5.218 6.757 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.789 4.645 10.121 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.834 4.014 11.037 1.00 0.00 C ATOM 1211 C PRO A 81 -7.180 2.556 11.322 1.00 0.00 C ATOM 1212 O PRO A 81 -8.308 2.109 11.114 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.958 4.852 12.312 1.00 0.00 C ATOM 1214 CG PRO A 81 -8.330 5.429 12.254 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.624 5.652 10.796 1.00 0.00 C ATOM 0 HA PRO A 81 -5.826 3.991 10.622 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.824 4.239 13.203 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.200 5.635 12.346 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.058 4.751 12.700 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.384 6.365 12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.682 5.511 10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.364 6.664 10.484 1.00 0.00 H new ATOM 1223 N PRO A 82 -6.189 1.796 11.811 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.366 0.378 12.136 1.00 0.00 C ATOM 1225 C PRO A 82 -7.259 0.169 13.355 1.00 0.00 C ATOM 1226 O PRO A 82 -7.887 1.108 13.845 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.941 -0.099 12.429 1.00 0.00 C ATOM 1228 CG PRO A 82 -4.212 1.127 12.859 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.820 2.263 12.084 1.00 0.00 C ATOM 0 HA PRO A 82 -6.855 -0.167 11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.931 -0.860 13.209 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.482 -0.543 11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.316 1.287 13.932 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.145 1.040 12.652 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.819 3.188 12.660 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.271 2.460 11.163 1.00 0.00 H new ATOM 1237 N LYS A 83 -7.311 -1.067 13.840 1.00 0.00 N ATOM 1238 CA LYS A 83 -8.125 -1.399 15.002 1.00 0.00 C ATOM 1239 C LYS A 83 -7.652 -0.634 16.234 1.00 0.00 C ATOM 1240 O LYS A 83 -6.472 -0.663 16.580 1.00 0.00 O ATOM 1241 CB LYS A 83 -8.074 -2.905 15.273 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.763 -3.368 15.884 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.811 -3.332 17.402 1.00 0.00 C ATOM 1244 CE LYS A 83 -5.415 -3.361 18.006 1.00 0.00 C ATOM 1245 NZ LYS A 83 -4.721 -2.052 17.860 1.00 0.00 N ATOM 0 H LYS A 83 -6.798 -1.856 13.445 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.154 -1.109 14.789 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.892 -3.173 15.942 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.238 -3.440 14.338 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.543 -4.382 15.550 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.951 -2.733 15.530 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.331 -2.432 17.729 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.385 -4.183 17.769 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.482 -3.621 19.062 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.826 -4.140 17.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.730 -2.213 17.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.193 -1.489 17.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.754 -1.539 18.764 1.00 0.00 H new ATOM 1259 N GLY A 84 -8.583 0.049 16.894 1.00 0.00 N ATOM 1260 CA GLY A 84 -8.241 0.811 18.081 1.00 0.00 C ATOM 1261 C GLY A 84 -7.256 1.926 17.791 1.00 0.00 C ATOM 1262 O GLY A 84 -6.300 2.130 18.540 1.00 0.00 O ATOM 0 H GLY A 84 -9.567 0.088 16.628 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.149 1.235 18.511 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.817 0.141 18.829 1.00 0.00 H new ATOM 1266 N TYR A 85 -7.488 2.650 16.702 1.00 0.00 N ATOM 1267 CA TYR A 85 -6.612 3.748 16.312 1.00 0.00 C ATOM 1268 C TYR A 85 -7.407 4.875 15.661 1.00 0.00 C ATOM 1269 O TYR A 85 -8.449 4.643 15.048 1.00 0.00 O ATOM 1270 CB TYR A 85 -5.532 3.249 15.350 1.00 0.00 C ATOM 1271 CG TYR A 85 -4.273 2.780 16.044 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -3.280 3.681 16.408 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -4.076 1.436 16.335 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -2.128 3.257 17.042 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.928 1.003 16.969 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.957 1.917 17.321 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.811 1.490 17.951 1.00 0.00 O ATOM 0 H TYR A 85 -8.276 2.496 16.073 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.136 4.137 17.212 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.937 2.429 14.756 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.277 4.050 14.656 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.411 4.731 16.192 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.834 0.717 16.061 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.366 3.971 17.318 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.791 -0.046 17.188 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.848 0.519 18.075 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.907 6.098 15.798 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.568 7.264 15.223 1.00 0.00 C ATOM 1289 C LYS A 86 -6.655 7.968 14.224 1.00 0.00 C ATOM 1290 O LYS A 86 -5.447 8.065 14.435 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.980 8.239 16.328 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.963 7.649 17.325 1.00 0.00 C ATOM 1293 CD LYS A 86 -10.375 7.622 16.766 1.00 0.00 C ATOM 1294 CE LYS A 86 -11.216 6.541 17.429 1.00 0.00 C ATOM 1295 NZ LYS A 86 -10.936 5.194 16.860 1.00 0.00 N ATOM 0 H LYS A 86 -6.046 6.308 16.302 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.460 6.923 14.697 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.088 8.568 16.861 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.424 9.124 15.873 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.655 6.637 17.586 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.946 8.234 18.244 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.846 8.594 16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.339 7.448 15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.016 6.531 18.500 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.273 6.776 17.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.728 4.902 16.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.062 5.230 16.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.822 4.508 17.633 1.00 0.00 H new ATOM 1309 N GLU A 87 -7.243 8.460 13.137 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.481 9.156 12.106 1.00 0.00 C ATOM 1311 C GLU A 87 -5.645 10.279 12.713 1.00 0.00 C ATOM 1312 O GLU A 87 -4.591 10.635 12.186 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.422 9.723 11.042 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.403 10.750 11.582 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.640 10.114 12.187 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -10.303 9.323 11.484 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -9.944 10.406 13.362 1.00 0.00 O ATOM 0 H GLU A 87 -8.243 8.390 12.948 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.808 8.437 11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.828 10.181 10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.980 8.904 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.906 11.359 12.337 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.701 11.421 10.776 1.00 0.00 H new ATOM 1324 N GLU A 88 -6.124 10.832 13.823 1.00 0.00 N ATOM 1325 CA GLU A 88 -5.421 11.915 14.500 1.00 0.00 C ATOM 1326 C GLU A 88 -4.301 11.370 15.382 1.00 0.00 C ATOM 1327 O GLU A 88 -3.288 12.035 15.598 1.00 0.00 O ATOM 1328 CB GLU A 88 -6.397 12.737 15.345 1.00 0.00 C ATOM 1329 CG GLU A 88 -7.270 11.893 16.258 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.903 12.704 17.372 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -7.162 13.167 18.264 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -9.140 12.876 17.351 1.00 0.00 O ATOM 0 H GLU A 88 -6.995 10.548 14.272 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.980 12.559 13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.833 13.447 15.950 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.036 13.321 14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.054 11.419 15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.669 11.093 16.692 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.493 10.156 15.889 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.501 9.523 16.749 1.00 0.00 C ATOM 1341 C GLU A 89 -2.696 8.482 15.976 1.00 0.00 C ATOM 1342 O GLU A 89 -2.281 7.464 16.530 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.181 8.866 17.953 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.868 9.856 18.878 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.996 11.054 19.202 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.891 10.854 19.748 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -4.419 12.192 18.909 1.00 0.00 O ATOM 0 H GLU A 89 -5.326 9.592 15.719 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.819 10.296 17.103 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.916 8.145 17.596 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.436 8.308 18.520 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.793 10.199 18.414 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.144 9.351 19.804 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.480 8.745 14.691 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.726 7.831 13.840 1.00 0.00 C ATOM 1356 C PHE A 90 -0.920 8.599 12.797 1.00 0.00 C ATOM 1357 O PHE A 90 -1.481 9.305 11.960 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.673 6.848 13.147 1.00 0.00 C ATOM 1359 CG PHE A 90 -2.003 6.012 12.095 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -1.077 5.043 12.447 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -2.298 6.195 10.754 1.00 0.00 C ATOM 1362 CE1 PHE A 90 -0.459 4.271 11.481 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.684 5.426 9.784 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.762 4.464 10.148 1.00 0.00 C ATOM 0 H PHE A 90 -2.816 9.583 14.216 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.033 7.274 14.471 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.113 6.190 13.896 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.492 7.405 12.691 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.835 4.889 13.488 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.016 6.947 10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.260 3.518 11.769 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.925 5.577 8.742 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.279 3.864 9.391 1.00 0.00 H new ATOM 1374 N ASN A 91 0.400 8.457 12.856 1.00 0.00 N ATOM 1375 CA ASN A 91 1.285 9.138 11.918 1.00 0.00 C ATOM 1376 C ASN A 91 2.229 8.147 11.243 1.00 0.00 C ATOM 1377 O ASN A 91 2.879 7.342 11.910 1.00 0.00 O ATOM 1378 CB ASN A 91 2.093 10.219 12.639 1.00 0.00 C ATOM 1379 CG ASN A 91 1.374 11.553 12.671 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.480 11.770 13.490 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.761 12.456 11.777 1.00 0.00 N ATOM 0 H ASN A 91 0.880 7.877 13.543 1.00 0.00 H new ATOM 0 HA ASN A 91 0.669 9.606 11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.298 9.895 13.659 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.056 10.340 12.143 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.313 13.372 11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.506 12.233 11.117 1.00 0.00 H new ATOM 1388 N TRP A 92 2.299 8.214 9.919 1.00 0.00 N ATOM 1389 CA TRP A 92 3.164 7.323 9.154 1.00 0.00 C ATOM 1390 C TRP A 92 4.616 7.460 9.598 1.00 0.00 C ATOM 1391 O TRP A 92 5.173 6.552 10.214 1.00 0.00 O ATOM 1392 CB TRP A 92 3.045 7.623 7.659 1.00 0.00 C ATOM 1393 CG TRP A 92 1.979 6.821 6.975 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.774 7.278 6.522 1.00 0.00 C ATOM 1395 CD2 TRP A 92 2.022 5.423 6.669 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.066 6.248 5.952 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.809 5.100 6.029 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.967 4.414 6.870 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.519 3.810 5.593 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.678 3.134 6.437 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.463 2.841 5.803 1.00 0.00 C ATOM 0 H TRP A 92 1.768 8.875 9.353 1.00 0.00 H new ATOM 0 HA TRP A 92 2.842 6.298 9.339 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.834 8.684 7.524 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.003 7.425 7.179 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.429 8.298 6.600 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.863 6.326 5.538 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.907 4.631 7.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.418 3.582 5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.401 2.346 6.590 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.268 1.831 5.474 1.00 0.00 H new ATOM 1412 N GLN A 93 5.223 8.599 9.282 1.00 0.00 N ATOM 1413 CA GLN A 93 6.611 8.853 9.650 1.00 0.00 C ATOM 1414 C GLN A 93 6.886 8.402 11.080 1.00 0.00 C ATOM 1415 O GLN A 93 7.812 7.631 11.333 1.00 0.00 O ATOM 1416 CB GLN A 93 6.937 10.340 9.499 1.00 0.00 C ATOM 1417 CG GLN A 93 5.931 11.255 10.178 1.00 0.00 C ATOM 1418 CD GLN A 93 6.077 12.702 9.750 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.285 13.588 10.579 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.968 12.949 8.450 1.00 0.00 N ATOM 0 H GLN A 93 4.776 9.361 8.772 1.00 0.00 H new ATOM 0 HA GLN A 93 7.250 8.279 8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.927 10.530 9.914 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.983 10.588 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.922 10.912 9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.054 11.186 11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.795 12.184 7.798 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.057 13.904 8.103 1.00 0.00 H new ATOM 1429 N THR A 94 6.076 8.889 12.015 1.00 0.00 N ATOM 1430 CA THR A 94 6.233 8.537 13.421 1.00 0.00 C ATOM 1431 C THR A 94 6.146 7.029 13.624 1.00 0.00 C ATOM 1432 O THR A 94 6.848 6.465 14.463 1.00 0.00 O ATOM 1433 CB THR A 94 5.165 9.223 14.294 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.106 10.621 13.988 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.472 9.035 15.772 1.00 0.00 C ATOM 0 H THR A 94 5.305 9.528 11.824 1.00 0.00 H new ATOM 0 HA THR A 94 7.220 8.885 13.725 1.00 0.00 H new ATOM 0 HB THR A 94 4.201 8.763 14.078 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.424 11.049 14.546 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.704 9.528 16.369 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.487 7.971 16.008 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.445 9.471 16.000 1.00 0.00 H new ATOM 1443 N TYR A 95 5.282 6.382 12.850 1.00 0.00 N ATOM 1444 CA TYR A 95 5.103 4.938 12.946 1.00 0.00 C ATOM 1445 C TYR A 95 6.230 4.200 12.230 1.00 0.00 C ATOM 1446 O TYR A 95 6.532 3.048 12.545 1.00 0.00 O ATOM 1447 CB TYR A 95 3.753 4.530 12.353 1.00 0.00 C ATOM 1448 CG TYR A 95 3.559 3.033 12.264 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.148 2.179 13.189 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.786 2.472 11.255 1.00 0.00 C ATOM 1451 CE1 TYR A 95 3.974 0.811 13.110 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.605 1.105 11.169 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.201 0.279 12.099 1.00 0.00 C ATOM 1454 OH TYR A 95 3.024 -1.083 12.018 1.00 0.00 O ATOM 0 H TYR A 95 4.695 6.834 12.149 1.00 0.00 H new ATOM 0 HA TYR A 95 5.127 4.664 14.001 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.955 4.956 12.961 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.659 4.960 11.356 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.752 2.592 13.983 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.318 3.116 10.525 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.441 0.161 13.836 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.000 0.686 10.378 1.00 0.00 H new ATOM 0 HH TYR A 95 2.068 -1.293 12.074 1.00 0.00 H new ATOM 1464 N LEU A 96 6.849 4.872 11.266 1.00 0.00 N ATOM 1465 CA LEU A 96 7.944 4.282 10.504 1.00 0.00 C ATOM 1466 C LEU A 96 9.279 4.503 11.209 1.00 0.00 C ATOM 1467 O LEU A 96 10.239 3.765 10.987 1.00 0.00 O ATOM 1468 CB LEU A 96 7.992 4.880 9.097 1.00 0.00 C ATOM 1469 CG LEU A 96 6.696 4.804 8.290 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.597 5.976 7.325 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.613 3.483 7.538 1.00 0.00 C ATOM 0 H LEU A 96 6.611 5.826 10.993 1.00 0.00 H new ATOM 0 HA LEU A 96 7.766 3.209 10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.284 5.927 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.776 4.373 8.535 1.00 0.00 H new ATOM 0 HG LEU A 96 5.856 4.859 8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.668 5.904 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.610 6.911 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.443 5.954 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.684 3.446 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.460 3.398 6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.636 2.657 8.249 1.00 0.00 H new ATOM 1483 N LYS A 97 9.331 5.521 12.060 1.00 0.00 N ATOM 1484 CA LYS A 97 10.546 5.838 12.801 1.00 0.00 C ATOM 1485 C LYS A 97 10.658 4.978 14.056 1.00 0.00 C ATOM 1486 O LYS A 97 11.752 4.568 14.445 1.00 0.00 O ATOM 1487 CB LYS A 97 10.563 7.320 13.183 1.00 0.00 C ATOM 1488 CG LYS A 97 9.806 7.627 14.463 1.00 0.00 C ATOM 1489 CD LYS A 97 10.709 7.534 15.681 1.00 0.00 C ATOM 1490 CE LYS A 97 10.076 8.192 16.897 1.00 0.00 C ATOM 1491 NZ LYS A 97 10.265 9.669 16.890 1.00 0.00 N ATOM 0 H LYS A 97 8.545 6.142 12.254 1.00 0.00 H new ATOM 0 HA LYS A 97 11.400 5.625 12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.597 7.646 13.295 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.132 7.902 12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.377 8.627 14.402 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.975 6.930 14.571 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.918 6.487 15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.664 8.012 15.464 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.011 7.962 16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.512 7.774 17.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.819 10.080 17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.281 9.889 16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.826 10.071 16.037 1.00 0.00 H new ATOM 1505 N THR A 98 9.519 4.705 14.685 1.00 0.00 N ATOM 1506 CA THR A 98 9.489 3.894 15.895 1.00 0.00 C ATOM 1507 C THR A 98 9.780 2.430 15.582 1.00 0.00 C ATOM 1508 O THR A 98 10.320 1.703 16.417 1.00 0.00 O ATOM 1509 CB THR A 98 8.126 3.994 16.605 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.202 3.385 17.899 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.037 3.320 15.784 1.00 0.00 C ATOM 0 H THR A 98 8.605 5.034 14.376 1.00 0.00 H new ATOM 0 HA THR A 98 10.264 4.283 16.556 1.00 0.00 H new ATOM 0 HB THR A 98 7.875 5.049 16.715 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.332 3.454 18.345 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.084 3.404 16.306 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.962 3.805 14.811 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.284 2.267 15.646 1.00 0.00 H new ATOM 1519 N CYS A 99 9.420 2.005 14.376 1.00 0.00 N ATOM 1520 CA CYS A 99 9.643 0.627 13.954 1.00 0.00 C ATOM 1521 C CYS A 99 10.774 0.547 12.934 1.00 0.00 C ATOM 1522 O CYS A 99 10.864 -0.409 12.163 1.00 0.00 O ATOM 1523 CB CYS A 99 8.362 0.040 13.359 1.00 0.00 C ATOM 1524 SG CYS A 99 7.295 -0.779 14.568 1.00 0.00 S ATOM 0 H CYS A 99 8.973 2.594 13.674 1.00 0.00 H new ATOM 0 HA CYS A 99 9.927 0.046 14.831 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.799 0.839 12.876 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.630 -0.676 12.582 1.00 0.00 H new ATOM 0 HG CYS A 99 6.237 -1.241 13.970 1.00 0.00 H new ATOM 1530 N LYS A 100 11.635 1.559 12.933 1.00 0.00 N ATOM 1531 CA LYS A 100 12.761 1.605 12.008 1.00 0.00 C ATOM 1532 C LYS A 100 12.414 0.914 10.693 1.00 0.00 C ATOM 1533 O LYS A 100 13.240 0.210 10.114 1.00 0.00 O ATOM 1534 CB LYS A 100 13.990 0.943 12.635 1.00 0.00 C ATOM 1535 CG LYS A 100 13.685 -0.373 13.328 1.00 0.00 C ATOM 1536 CD LYS A 100 13.219 -0.155 14.758 1.00 0.00 C ATOM 1537 CE LYS A 100 12.975 -1.475 15.473 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.246 -2.101 15.932 1.00 0.00 N ATOM 0 H LYS A 100 11.574 2.359 13.563 1.00 0.00 H new ATOM 0 HA LYS A 100 12.985 2.651 11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.735 0.771 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.434 1.629 13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.916 -0.909 12.771 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.576 -1.001 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.968 0.421 15.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.302 0.434 14.757 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.322 -1.309 16.330 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.454 -2.160 14.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.037 -2.998 16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.859 -2.283 15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.731 -1.459 16.591 1.00 0.00 H new ATOM 1552 N ALA A 101 11.187 1.122 10.227 1.00 0.00 N ATOM 1553 CA ALA A 101 10.732 0.522 8.979 1.00 0.00 C ATOM 1554 C ALA A 101 10.624 1.568 7.874 1.00 0.00 C ATOM 1555 O ALA A 101 10.470 2.758 8.148 1.00 0.00 O ATOM 1556 CB ALA A 101 9.393 -0.172 9.184 1.00 0.00 C ATOM 0 H ALA A 101 10.490 1.702 10.695 1.00 0.00 H new ATOM 0 HA ALA A 101 11.470 -0.219 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.065 -0.616 8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.500 -0.954 9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.654 0.555 9.519 1.00 0.00 H new ATOM 1562 N GLN A 102 10.706 1.116 6.627 1.00 0.00 N ATOM 1563 CA GLN A 102 10.619 2.015 5.482 1.00 0.00 C ATOM 1564 C GLN A 102 9.338 1.767 4.692 1.00 0.00 C ATOM 1565 O GLN A 102 8.775 0.674 4.732 1.00 0.00 O ATOM 1566 CB GLN A 102 11.836 1.836 4.573 1.00 0.00 C ATOM 1567 CG GLN A 102 11.865 0.499 3.851 1.00 0.00 C ATOM 1568 CD GLN A 102 13.213 0.202 3.225 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.405 0.380 2.022 1.00 0.00 O ATOM 1570 NE2 GLN A 102 14.157 -0.252 4.041 1.00 0.00 N ATOM 0 H GLN A 102 10.832 0.134 6.384 1.00 0.00 H new ATOM 0 HA GLN A 102 10.601 3.039 5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.849 2.638 3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.743 1.937 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.613 -0.295 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.099 0.493 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.954 -0.385 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.085 -0.468 3.677 1.00 0.00 H new ATOM 1579 N ALA A 103 8.884 2.789 3.974 1.00 0.00 N ATOM 1580 CA ALA A 103 7.671 2.681 3.173 1.00 0.00 C ATOM 1581 C ALA A 103 7.961 2.035 1.822 1.00 0.00 C ATOM 1582 O ALA A 103 8.932 2.385 1.152 1.00 0.00 O ATOM 1583 CB ALA A 103 7.042 4.053 2.981 1.00 0.00 C ATOM 0 H ALA A 103 9.338 3.701 3.931 1.00 0.00 H new ATOM 0 HA ALA A 103 6.967 2.043 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.137 3.958 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.790 4.477 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.748 4.709 2.471 1.00 0.00 H new ATOM 1589 N ALA A 104 7.113 1.091 1.429 1.00 0.00 N ATOM 1590 CA ALA A 104 7.277 0.398 0.158 1.00 0.00 C ATOM 1591 C ALA A 104 7.570 1.381 -0.970 1.00 0.00 C ATOM 1592 O ALA A 104 7.054 2.499 -1.001 1.00 0.00 O ATOM 1593 CB ALA A 104 6.035 -0.420 -0.162 1.00 0.00 C ATOM 0 H ALA A 104 6.305 0.789 1.973 1.00 0.00 H new ATOM 0 HA ALA A 104 8.129 -0.276 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.172 -0.932 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.871 -1.156 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.171 0.241 -0.227 1.00 0.00 H new ATOM 1599 N PRO A 105 8.419 0.959 -1.919 1.00 0.00 N ATOM 1600 CA PRO A 105 8.799 1.788 -3.066 1.00 0.00 C ATOM 1601 C PRO A 105 7.648 1.986 -4.046 1.00 0.00 C ATOM 1602 O PRO A 105 6.746 1.153 -4.137 1.00 0.00 O ATOM 1603 CB PRO A 105 9.928 0.989 -3.723 1.00 0.00 C ATOM 1604 CG PRO A 105 9.676 -0.423 -3.321 1.00 0.00 C ATOM 1605 CD PRO A 105 9.071 -0.361 -1.946 1.00 0.00 C ATOM 0 HA PRO A 105 9.090 2.794 -2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.913 1.101 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.905 1.330 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.001 -0.914 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.602 -0.998 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.354 -1.166 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.830 -0.450 -1.169 1.00 0.00 H new ATOM 1613 N LYS A 106 7.684 3.094 -4.779 1.00 0.00 N ATOM 1614 CA LYS A 106 6.645 3.402 -5.754 1.00 0.00 C ATOM 1615 C LYS A 106 6.752 2.487 -6.970 1.00 0.00 C ATOM 1616 O LYS A 106 5.748 2.161 -7.603 1.00 0.00 O ATOM 1617 CB LYS A 106 6.745 4.865 -6.192 1.00 0.00 C ATOM 1618 CG LYS A 106 8.031 5.192 -6.931 1.00 0.00 C ATOM 1619 CD LYS A 106 8.324 6.682 -6.907 1.00 0.00 C ATOM 1620 CE LYS A 106 8.828 7.129 -5.544 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.642 8.373 -5.634 1.00 0.00 N ATOM 0 H LYS A 106 8.423 3.794 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 106 5.677 3.237 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.897 5.102 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.668 5.505 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.861 4.650 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.955 4.852 -7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.068 6.920 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.420 7.236 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.980 7.297 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.427 6.334 -5.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.967 8.645 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.465 8.205 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.063 9.139 -6.034 1.00 0.00 H new ATOM 1635 N SER A 107 7.975 2.076 -7.290 1.00 0.00 N ATOM 1636 CA SER A 107 8.213 1.201 -8.432 1.00 0.00 C ATOM 1637 C SER A 107 7.232 0.032 -8.434 1.00 0.00 C ATOM 1638 O SER A 107 6.766 -0.400 -9.489 1.00 0.00 O ATOM 1639 CB SER A 107 9.650 0.676 -8.408 1.00 0.00 C ATOM 1640 OG SER A 107 9.868 -0.160 -7.285 1.00 0.00 O ATOM 0 H SER A 107 8.816 2.335 -6.775 1.00 0.00 H new ATOM 0 HA SER A 107 8.061 1.782 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.853 0.121 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.346 1.514 -8.382 1.00 0.00 H new ATOM 0 HG SER A 107 10.793 -0.484 -7.293 1.00 0.00 H new ATOM 1646 N LEU A 108 6.923 -0.475 -7.245 1.00 0.00 N ATOM 1647 CA LEU A 108 5.998 -1.594 -7.108 1.00 0.00 C ATOM 1648 C LEU A 108 4.634 -1.248 -7.696 1.00 0.00 C ATOM 1649 O LEU A 108 3.979 -2.090 -8.311 1.00 0.00 O ATOM 1650 CB LEU A 108 5.848 -1.980 -5.635 1.00 0.00 C ATOM 1651 CG LEU A 108 6.958 -2.856 -5.055 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.742 -3.074 -3.565 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.023 -4.189 -5.787 1.00 0.00 C ATOM 0 H LEU A 108 7.300 -0.129 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 108 6.407 -2.441 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.788 -1.066 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.899 -2.502 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 108 7.909 -2.342 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.542 -3.700 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.746 -2.112 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.783 -3.566 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.819 -4.800 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.071 -4.709 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.226 -4.014 -6.844 1.00 0.00 H new ATOM 1665 N PHE A 109 4.211 -0.002 -7.506 1.00 0.00 N ATOM 1666 CA PHE A 109 2.926 0.456 -8.018 1.00 0.00 C ATOM 1667 C PHE A 109 3.111 1.301 -9.275 1.00 0.00 C ATOM 1668 O PHE A 109 2.639 2.435 -9.348 1.00 0.00 O ATOM 1669 CB PHE A 109 2.186 1.265 -6.951 1.00 0.00 C ATOM 1670 CG PHE A 109 2.260 0.657 -5.580 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.409 0.776 -4.815 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.179 -0.033 -5.055 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.480 0.217 -3.554 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.244 -0.594 -3.793 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.395 -0.468 -3.041 1.00 0.00 C ATOM 0 H PHE A 109 4.741 0.708 -7.001 1.00 0.00 H new ATOM 0 HA PHE A 109 2.333 -0.422 -8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.602 2.272 -6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.140 1.362 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.259 1.312 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.276 -0.134 -5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.383 0.315 -2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.395 -1.130 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.447 -0.904 -2.054 1.00 0.00 H new ATOM 1685 N GLU A 110 3.803 0.740 -10.262 1.00 0.00 N ATOM 1686 CA GLU A 110 4.052 1.442 -11.515 1.00 0.00 C ATOM 1687 C GLU A 110 3.106 0.955 -12.609 1.00 0.00 C ATOM 1688 O GLU A 110 3.505 0.790 -13.761 1.00 0.00 O ATOM 1689 CB GLU A 110 5.504 1.244 -11.956 1.00 0.00 C ATOM 1690 CG GLU A 110 6.453 2.303 -11.420 1.00 0.00 C ATOM 1691 CD GLU A 110 6.390 3.597 -12.208 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.094 3.701 -13.234 1.00 0.00 O ATOM 1693 OE2 GLU A 110 5.636 4.505 -11.799 1.00 0.00 O ATOM 0 H GLU A 110 4.201 -0.198 -10.218 1.00 0.00 H new ATOM 0 HA GLU A 110 3.871 2.504 -11.349 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.844 0.263 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.548 1.247 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.213 2.506 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.472 1.917 -11.443 1.00 0.00 H new ATOM 1700 N ASN A 111 1.850 0.727 -12.239 1.00 0.00 N ATOM 1701 CA ASN A 111 0.847 0.259 -13.188 1.00 0.00 C ATOM 1702 C ASN A 111 -0.030 1.412 -13.667 1.00 0.00 C ATOM 1703 O ASN A 111 -0.131 1.670 -14.865 1.00 0.00 O ATOM 1704 CB ASN A 111 -0.022 -0.826 -12.548 1.00 0.00 C ATOM 1705 CG ASN A 111 0.539 -2.218 -12.763 1.00 0.00 C ATOM 1706 OD1 ASN A 111 -0.124 -3.086 -13.331 1.00 0.00 O ATOM 1707 ND2 ASN A 111 1.768 -2.438 -12.309 1.00 0.00 N ATOM 0 H ASN A 111 1.503 0.859 -11.289 1.00 0.00 H new ATOM 0 HA ASN A 111 1.366 -0.161 -14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.109 -0.634 -11.479 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.028 -0.774 -12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.198 -3.356 -12.425 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.282 -1.689 -11.844 1.00 0.00 H new