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+ -128:sc= 0.00231 (180deg=-0.0102) USER MOD Set 1.2: A 95 TYR OH : rot 160:sc= 0.00443 USER MOD Set 1.3: A 99 CYS SG : rot 127:sc= -0.384 USER MOD Single : A 12 ASN : amide:sc= -1.96! C(o=-2!,f=-1.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -108:sc= -2.8! (180deg=-6.07!) USER MOD Single : A 27 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.24) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) 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=-0.00292 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0577 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= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -28:sc= 0.0155 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.00465 K(o=0.0046,f=-0.57) USER MOD Single : A 67 HIS : no HD1:sc= -9.67! C(o=-9.7!,f=-10!) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.444 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -151:sc= -0.274 USER MOD Single : A 77 HIS : no HD1:sc= -0.047 X(o=-0.047,f=-0.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.28) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.0902 (180deg=-0.603) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= -0.0515 (180deg=-0.349) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.207 F(o=-3.4!,f=-0.21) USER MOD Single : A 93 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.014) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.798 USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.049 (180deg=-0.345) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 161:sc= -0.0374 (180deg=-0.323) 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= -0.145 K(o=-0.14,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 6.690 -10.505 -7.709 1.00 0.00 N ATOM 138 CA ASN A 12 6.424 -9.255 -8.411 1.00 0.00 C ATOM 139 C ASN A 12 7.483 -8.208 -8.079 1.00 0.00 C ATOM 140 O ASN A 12 7.926 -7.459 -8.948 1.00 0.00 O ATOM 141 CB ASN A 12 5.036 -8.726 -8.045 1.00 0.00 C ATOM 142 CG ASN A 12 4.733 -7.393 -8.703 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.190 -7.342 -9.806 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.085 -6.306 -8.026 1.00 0.00 N ATOM 0 HA ASN A 12 6.459 -9.454 -9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.282 -9.455 -8.343 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.965 -8.618 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.907 -5.381 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.533 -6.396 -7.114 1.00 0.00 H new ATOM 151 N GLY A 13 7.887 -8.164 -6.812 1.00 0.00 N ATOM 152 CA GLY A 13 8.891 -7.207 -6.387 1.00 0.00 C ATOM 153 C GLY A 13 8.742 -6.820 -4.929 1.00 0.00 C ATOM 154 O GLY A 13 9.705 -6.393 -4.291 1.00 0.00 O ATOM 0 H GLY A 13 7.537 -8.774 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.883 -7.630 -6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.821 -6.313 -7.006 1.00 0.00 H new ATOM 158 N PHE A 14 7.533 -6.967 -4.399 1.00 0.00 N ATOM 159 CA PHE A 14 7.261 -6.628 -3.007 1.00 0.00 C ATOM 160 C PHE A 14 8.224 -7.353 -2.072 1.00 0.00 C ATOM 161 O PHE A 14 8.991 -8.216 -2.500 1.00 0.00 O ATOM 162 CB PHE A 14 5.817 -6.983 -2.646 1.00 0.00 C ATOM 163 CG PHE A 14 4.815 -5.963 -3.107 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.534 -4.849 -2.332 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.155 -6.117 -4.316 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.613 -3.910 -2.754 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.233 -5.181 -4.743 1.00 0.00 C ATOM 168 CZ PHE A 14 2.962 -4.075 -3.961 1.00 0.00 C ATOM 0 H PHE A 14 6.725 -7.319 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 14 7.405 -5.554 -2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.568 -7.949 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.738 -7.095 -1.565 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.041 -4.714 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.364 -6.979 -4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.402 -3.047 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.725 -5.314 -5.687 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.243 -3.341 -4.293 1.00 0.00 H new ATOM 178 N LYS A 15 8.178 -6.997 -0.793 1.00 0.00 N ATOM 179 CA LYS A 15 9.045 -7.613 0.205 1.00 0.00 C ATOM 180 C LYS A 15 8.337 -7.714 1.552 1.00 0.00 C ATOM 181 O LYS A 15 7.323 -7.055 1.783 1.00 0.00 O ATOM 182 CB LYS A 15 10.337 -6.807 0.355 1.00 0.00 C ATOM 183 CG LYS A 15 11.101 -6.635 -0.946 1.00 0.00 C ATOM 184 CD LYS A 15 12.452 -5.978 -0.717 1.00 0.00 C ATOM 185 CE LYS A 15 13.398 -6.898 0.039 1.00 0.00 C ATOM 186 NZ LYS A 15 14.823 -6.629 -0.300 1.00 0.00 N ATOM 0 H LYS A 15 7.549 -6.285 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 15 9.289 -8.620 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.097 -5.823 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.981 -7.301 1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.244 -7.608 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.514 -6.030 -1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.894 -5.709 -1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.318 -5.053 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.249 -6.770 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.159 -7.936 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.436 -7.277 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.971 -6.776 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.059 -5.646 -0.054 1.00 0.00 H new ATOM 200 N VAL A 16 8.878 -8.543 2.439 1.00 0.00 N ATOM 201 CA VAL A 16 8.300 -8.729 3.765 1.00 0.00 C ATOM 202 C VAL A 16 8.843 -7.700 4.750 1.00 0.00 C ATOM 203 O VAL A 16 10.028 -7.707 5.081 1.00 0.00 O ATOM 204 CB VAL A 16 8.582 -10.142 4.307 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.259 -10.219 5.791 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.790 -11.180 3.526 1.00 0.00 C ATOM 0 H VAL A 16 9.716 -9.097 2.263 1.00 0.00 H new ATOM 0 HA VAL A 16 7.223 -8.596 3.663 1.00 0.00 H new ATOM 0 HB VAL A 16 9.643 -10.356 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.465 -11.225 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.875 -9.503 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.206 -9.985 5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.001 -12.173 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.724 -10.971 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.076 -11.141 2.475 1.00 0.00 H new ATOM 216 N GLY A 17 7.967 -6.815 5.217 1.00 0.00 N ATOM 217 CA GLY A 17 8.378 -5.793 6.161 1.00 0.00 C ATOM 218 C GLY A 17 7.969 -4.401 5.722 1.00 0.00 C ATOM 219 O GLY A 17 7.812 -3.503 6.549 1.00 0.00 O ATOM 0 H GLY A 17 6.981 -6.788 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.941 -6.006 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.461 -5.829 6.282 1.00 0.00 H new ATOM 223 N MET A 18 7.797 -4.220 4.417 1.00 0.00 N ATOM 224 CA MET A 18 7.405 -2.927 3.870 1.00 0.00 C ATOM 225 C MET A 18 5.920 -2.666 4.102 1.00 0.00 C ATOM 226 O MET A 18 5.095 -3.573 3.989 1.00 0.00 O ATOM 227 CB MET A 18 7.717 -2.866 2.373 1.00 0.00 C ATOM 228 CG MET A 18 6.796 -3.727 1.525 1.00 0.00 C ATOM 229 SD MET A 18 6.963 -3.394 -0.240 1.00 0.00 S ATOM 230 CE MET A 18 8.662 -3.889 -0.518 1.00 0.00 C ATOM 0 H MET A 18 7.923 -4.953 3.719 1.00 0.00 H new ATOM 0 HA MET A 18 7.977 -2.155 4.385 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.645 -1.832 2.037 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.747 -3.183 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.012 -4.779 1.714 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.763 -3.554 1.827 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.277 -3.004 -0.682 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.030 -4.431 0.353 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.714 -4.534 -1.395 1.00 0.00 H new ATOM 240 N LYS A 19 5.586 -1.422 4.428 1.00 0.00 N ATOM 241 CA LYS A 19 4.200 -1.042 4.676 1.00 0.00 C ATOM 242 C LYS A 19 3.576 -0.420 3.431 1.00 0.00 C ATOM 243 O LYS A 19 4.282 0.061 2.544 1.00 0.00 O ATOM 244 CB LYS A 19 4.122 -0.057 5.845 1.00 0.00 C ATOM 245 CG LYS A 19 4.642 -0.624 7.154 1.00 0.00 C ATOM 246 CD LYS A 19 5.149 0.473 8.075 1.00 0.00 C ATOM 247 CE LYS A 19 6.197 -0.052 9.044 1.00 0.00 C ATOM 248 NZ LYS A 19 5.637 -1.084 9.960 1.00 0.00 N ATOM 0 H LYS A 19 6.256 -0.660 4.527 1.00 0.00 H new ATOM 0 HA LYS A 19 3.641 -1.943 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.692 0.837 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.086 0.253 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.847 -1.180 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.447 -1.331 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.575 1.281 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.314 0.895 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.030 -0.477 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.597 0.775 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.855 -0.829 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.606 -1.136 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.059 -2.009 9.740 1.00 0.00 H new ATOM 262 N LEU A 20 2.249 -0.432 3.371 1.00 0.00 N ATOM 263 CA LEU A 20 1.529 0.132 2.235 1.00 0.00 C ATOM 264 C LEU A 20 0.050 0.310 2.561 1.00 0.00 C ATOM 265 O LEU A 20 -0.431 -0.172 3.586 1.00 0.00 O ATOM 266 CB LEU A 20 1.687 -0.768 1.008 1.00 0.00 C ATOM 267 CG LEU A 20 0.845 -2.044 0.998 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.557 -2.482 -0.430 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.548 -3.153 1.767 1.00 0.00 C ATOM 0 H LEU A 20 1.650 -0.826 4.096 1.00 0.00 H new ATOM 0 HA LEU A 20 1.955 1.112 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.438 -0.186 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.737 -1.049 0.921 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.105 -1.834 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.043 -3.392 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.011 -1.694 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.497 -2.674 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.934 -4.054 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.512 -3.362 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.702 -2.839 2.799 1.00 0.00 H new ATOM 281 N GLU A 21 -0.666 1.004 1.682 1.00 0.00 N ATOM 282 CA GLU A 21 -2.091 1.244 1.877 1.00 0.00 C ATOM 283 C GLU A 21 -2.925 0.286 1.031 1.00 0.00 C ATOM 284 O GLU A 21 -2.599 0.016 -0.124 1.00 0.00 O ATOM 285 CB GLU A 21 -2.441 2.691 1.522 1.00 0.00 C ATOM 286 CG GLU A 21 -1.899 3.708 2.513 1.00 0.00 C ATOM 287 CD GLU A 21 -2.305 5.128 2.171 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.437 5.318 1.677 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.493 6.049 2.397 1.00 0.00 O ATOM 0 H GLU A 21 -0.283 1.410 0.828 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.322 1.069 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.050 2.918 0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.525 2.791 1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.257 3.462 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.811 3.641 2.539 1.00 0.00 H new ATOM 296 N GLY A 22 -4.004 -0.226 1.616 1.00 0.00 N ATOM 297 CA GLY A 22 -4.867 -1.149 0.903 1.00 0.00 C ATOM 298 C GLY A 22 -6.338 -0.878 1.154 1.00 0.00 C ATOM 299 O GLY A 22 -6.689 -0.027 1.971 1.00 0.00 O ATOM 0 H GLY A 22 -4.295 -0.018 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.665 -1.079 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.632 -2.169 1.206 1.00 0.00 H new ATOM 303 N VAL A 23 -7.200 -1.602 0.447 1.00 0.00 N ATOM 304 CA VAL A 23 -8.641 -1.435 0.596 1.00 0.00 C ATOM 305 C VAL A 23 -9.244 -2.574 1.411 1.00 0.00 C ATOM 306 O VAL A 23 -8.718 -3.686 1.426 1.00 0.00 O ATOM 307 CB VAL A 23 -9.343 -1.370 -0.773 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.827 -1.670 -0.628 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.127 -0.009 -1.418 1.00 0.00 C ATOM 0 H VAL A 23 -6.926 -2.310 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.798 -0.493 1.121 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.905 -2.129 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.306 -1.619 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.957 -2.669 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.283 -0.937 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.630 0.019 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.536 0.768 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.060 0.162 -1.559 1.00 0.00 H new ATOM 319 N ASP A 24 -10.352 -2.288 2.086 1.00 0.00 N ATOM 320 CA ASP A 24 -11.030 -3.288 2.902 1.00 0.00 C ATOM 321 C ASP A 24 -12.034 -4.080 2.069 1.00 0.00 C ATOM 322 O ASP A 24 -12.723 -3.539 1.204 1.00 0.00 O ATOM 323 CB ASP A 24 -11.740 -2.620 4.080 1.00 0.00 C ATOM 324 CG ASP A 24 -11.815 -3.522 5.297 1.00 0.00 C ATOM 325 OD1 ASP A 24 -10.872 -3.492 6.117 1.00 0.00 O ATOM 326 OD2 ASP A 24 -12.816 -4.256 5.431 1.00 0.00 O ATOM 0 H ASP A 24 -10.800 -1.371 2.084 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.279 -3.978 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.215 -1.702 4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.748 -2.336 3.779 1.00 0.00 H new ATOM 331 N PRO A 25 -12.119 -5.392 2.335 1.00 0.00 N ATOM 332 CA PRO A 25 -13.036 -6.286 1.620 1.00 0.00 C ATOM 333 C PRO A 25 -14.496 -6.020 1.971 1.00 0.00 C ATOM 334 O PRO A 25 -15.396 -6.686 1.462 1.00 0.00 O ATOM 335 CB PRO A 25 -12.616 -7.678 2.097 1.00 0.00 C ATOM 336 CG PRO A 25 -11.993 -7.450 3.431 1.00 0.00 C ATOM 337 CD PRO A 25 -11.329 -6.103 3.353 1.00 0.00 C ATOM 0 HA PRO A 25 -12.975 -6.154 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.474 -8.347 2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.911 -8.138 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.744 -7.470 4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.267 -8.230 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.353 -5.587 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.282 -6.187 3.062 1.00 0.00 H new ATOM 345 N GLU A 26 -14.722 -5.042 2.843 1.00 0.00 N ATOM 346 CA GLU A 26 -16.073 -4.689 3.260 1.00 0.00 C ATOM 347 C GLU A 26 -16.562 -3.444 2.527 1.00 0.00 C ATOM 348 O GLU A 26 -17.766 -3.231 2.375 1.00 0.00 O ATOM 349 CB GLU A 26 -16.119 -4.455 4.772 1.00 0.00 C ATOM 350 CG GLU A 26 -15.718 -3.049 5.182 1.00 0.00 C ATOM 351 CD GLU A 26 -15.868 -2.810 6.672 1.00 0.00 C ATOM 352 OE1 GLU A 26 -15.997 -3.802 7.421 1.00 0.00 O ATOM 353 OE2 GLU A 26 -15.858 -1.634 7.090 1.00 0.00 O ATOM 0 H GLU A 26 -13.987 -4.481 3.274 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.732 -5.520 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.128 -4.655 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.458 -5.170 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.682 -2.872 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.329 -2.328 4.639 1.00 0.00 H new ATOM 360 N HIS A 27 -15.620 -2.622 2.075 1.00 0.00 N ATOM 361 CA HIS A 27 -15.954 -1.397 1.357 1.00 0.00 C ATOM 362 C HIS A 27 -14.792 -0.952 0.473 1.00 0.00 C ATOM 363 O HIS A 27 -13.653 -0.863 0.930 1.00 0.00 O ATOM 364 CB HIS A 27 -16.315 -0.286 2.343 1.00 0.00 C ATOM 365 CG HIS A 27 -17.755 -0.298 2.757 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.161 -0.188 4.070 1.00 0.00 N ATOM 367 CD2 HIS A 27 -18.886 -0.406 2.022 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.480 -0.229 4.125 1.00 0.00 C ATOM 369 NE2 HIS A 27 -19.945 -0.361 2.896 1.00 0.00 N ATOM 0 H HIS A 27 -14.620 -2.782 2.193 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.815 -1.601 0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.689 -0.381 3.230 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.083 0.679 1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -18.945 -0.508 0.948 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.077 -0.165 5.023 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -20.930 -0.420 2.638 1.00 0.00 H new ATOM 378 N GLN A 28 -15.090 -0.674 -0.792 1.00 0.00 N ATOM 379 CA GLN A 28 -14.070 -0.239 -1.738 1.00 0.00 C ATOM 380 C GLN A 28 -13.835 1.264 -1.633 1.00 0.00 C ATOM 381 O GLN A 28 -13.377 1.899 -2.583 1.00 0.00 O ATOM 382 CB GLN A 28 -14.480 -0.604 -3.166 1.00 0.00 C ATOM 383 CG GLN A 28 -14.234 -2.063 -3.515 1.00 0.00 C ATOM 384 CD GLN A 28 -14.570 -2.382 -4.959 1.00 0.00 C ATOM 385 OE1 GLN A 28 -15.636 -2.924 -5.255 1.00 0.00 O ATOM 386 NE2 GLN A 28 -13.661 -2.047 -5.867 1.00 0.00 N ATOM 0 H GLN A 28 -16.029 -0.742 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.140 -0.752 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.538 -0.380 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.930 0.026 -3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.188 -2.306 -3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.832 -2.696 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.791 -1.600 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.832 -2.237 -6.854 1.00 0.00 H new ATOM 395 N SER A 29 -14.152 1.828 -0.472 1.00 0.00 N ATOM 396 CA SER A 29 -13.979 3.258 -0.244 1.00 0.00 C ATOM 397 C SER A 29 -13.125 3.511 0.996 1.00 0.00 C ATOM 398 O SER A 29 -12.644 4.622 1.216 1.00 0.00 O ATOM 399 CB SER A 29 -15.339 3.939 -0.087 1.00 0.00 C ATOM 400 OG SER A 29 -15.965 3.556 1.125 1.00 0.00 O ATOM 0 H SER A 29 -14.530 1.317 0.325 1.00 0.00 H new ATOM 0 HA SER A 29 -13.467 3.679 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.212 5.021 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.980 3.677 -0.929 1.00 0.00 H new ATOM 0 HG SER A 29 -16.832 4.006 1.202 1.00 0.00 H new ATOM 406 N VAL A 30 -12.941 2.470 1.802 1.00 0.00 N ATOM 407 CA VAL A 30 -12.145 2.578 3.019 1.00 0.00 C ATOM 408 C VAL A 30 -10.751 1.994 2.818 1.00 0.00 C ATOM 409 O VAL A 30 -10.594 0.790 2.618 1.00 0.00 O ATOM 410 CB VAL A 30 -12.825 1.859 4.200 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.949 1.926 5.441 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.196 2.460 4.471 1.00 0.00 C ATOM 0 H VAL A 30 -13.332 1.543 1.634 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.061 3.640 3.249 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.960 0.810 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.445 1.413 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.992 1.445 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.780 2.968 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.662 1.940 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.088 3.517 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.821 2.354 3.585 1.00 0.00 H new ATOM 422 N TYR A 31 -9.742 2.856 2.871 1.00 0.00 N ATOM 423 CA TYR A 31 -8.360 2.427 2.692 1.00 0.00 C ATOM 424 C TYR A 31 -7.679 2.209 4.040 1.00 0.00 C ATOM 425 O TYR A 31 -7.532 3.141 4.832 1.00 0.00 O ATOM 426 CB TYR A 31 -7.584 3.463 1.877 1.00 0.00 C ATOM 427 CG TYR A 31 -8.042 3.569 0.440 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.693 2.601 -0.495 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.824 4.636 0.016 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.108 2.695 -1.809 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.245 4.737 -1.295 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.884 3.764 -2.204 1.00 0.00 C ATOM 433 OH TYR A 31 -9.301 3.860 -3.512 1.00 0.00 O ATOM 0 H TYR A 31 -9.855 3.856 3.036 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.367 1.481 2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.684 4.438 2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.525 3.207 1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.087 1.761 -0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.108 5.400 0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.826 1.935 -2.523 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.853 5.573 -1.607 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.840 4.671 -3.625 1.00 0.00 H new ATOM 443 N CYS A 32 -7.264 0.973 4.292 1.00 0.00 N ATOM 444 CA CYS A 32 -6.597 0.631 5.544 1.00 0.00 C ATOM 445 C CYS A 32 -5.137 0.263 5.300 1.00 0.00 C ATOM 446 O CYS A 32 -4.788 -0.266 4.245 1.00 0.00 O ATOM 447 CB CYS A 32 -7.320 -0.529 6.230 1.00 0.00 C ATOM 448 SG CYS A 32 -9.010 -0.144 6.746 1.00 0.00 S ATOM 0 H CYS A 32 -7.377 0.191 3.647 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.628 1.505 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.344 -1.381 5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.745 -0.835 7.104 1.00 0.00 H new ATOM 0 HG CYS A 32 -9.539 -1.187 7.314 1.00 0.00 H new ATOM 454 N VAL A 33 -4.288 0.549 6.282 1.00 0.00 N ATOM 455 CA VAL A 33 -2.866 0.249 6.174 1.00 0.00 C ATOM 456 C VAL A 33 -2.596 -1.232 6.417 1.00 0.00 C ATOM 457 O VAL A 33 -3.157 -1.833 7.334 1.00 0.00 O ATOM 458 CB VAL A 33 -2.039 1.081 7.172 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.653 1.011 8.562 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.594 0.606 7.194 1.00 0.00 C ATOM 0 H VAL A 33 -4.561 0.988 7.161 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.565 0.508 5.159 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.050 2.122 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.056 1.605 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.669 1.404 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.675 -0.026 8.898 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.025 1.205 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.560 -0.442 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.161 0.713 6.200 1.00 0.00 H new ATOM 470 N LEU A 34 -1.734 -1.814 5.591 1.00 0.00 N ATOM 471 CA LEU A 34 -1.388 -3.226 5.717 1.00 0.00 C ATOM 472 C LEU A 34 0.125 -3.420 5.695 1.00 0.00 C ATOM 473 O LEU A 34 0.874 -2.507 5.346 1.00 0.00 O ATOM 474 CB LEU A 34 -2.033 -4.031 4.588 1.00 0.00 C ATOM 475 CG LEU A 34 -3.518 -3.764 4.336 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.868 -4.028 2.880 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.377 -4.619 5.256 1.00 0.00 C ATOM 0 H LEU A 34 -1.262 -1.331 4.827 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.768 -3.584 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.487 -3.829 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.907 -5.091 4.807 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.721 -2.715 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.928 -3.833 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.277 -3.373 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.649 -5.068 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.430 -4.416 5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.171 -5.673 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.146 -4.381 6.294 1.00 0.00 H new ATOM 489 N THR A 35 0.568 -4.616 6.070 1.00 0.00 N ATOM 490 CA THR A 35 1.991 -4.931 6.093 1.00 0.00 C ATOM 491 C THR A 35 2.264 -6.287 5.452 1.00 0.00 C ATOM 492 O THR A 35 1.617 -7.282 5.781 1.00 0.00 O ATOM 493 CB THR A 35 2.542 -4.934 7.531 1.00 0.00 C ATOM 494 OG1 THR A 35 2.292 -3.670 8.155 1.00 0.00 O ATOM 495 CG2 THR A 35 4.036 -5.222 7.537 1.00 0.00 C ATOM 0 H THR A 35 -0.038 -5.382 6.362 1.00 0.00 H new ATOM 0 HA THR A 35 2.497 -4.154 5.520 1.00 0.00 H new ATOM 0 HB THR A 35 2.034 -5.720 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.644 -3.681 9.069 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.403 -5.219 8.563 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.220 -6.198 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.557 -4.455 6.963 1.00 0.00 H new ATOM 503 N VAL A 36 3.227 -6.321 4.537 1.00 0.00 N ATOM 504 CA VAL A 36 3.588 -7.556 3.852 1.00 0.00 C ATOM 505 C VAL A 36 3.905 -8.665 4.848 1.00 0.00 C ATOM 506 O VAL A 36 4.883 -8.585 5.591 1.00 0.00 O ATOM 507 CB VAL A 36 4.802 -7.351 2.926 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.923 -8.503 1.941 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.693 -6.022 2.193 1.00 0.00 C ATOM 0 H VAL A 36 3.772 -5.507 4.253 1.00 0.00 H new ATOM 0 HA VAL A 36 2.727 -7.847 3.251 1.00 0.00 H new ATOM 0 HB VAL A 36 5.704 -7.331 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.786 -8.341 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.050 -9.437 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.020 -8.558 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.559 -5.893 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.783 -6.011 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.659 -5.209 2.918 1.00 0.00 H new ATOM 519 N ALA A 37 3.071 -9.700 4.858 1.00 0.00 N ATOM 520 CA ALA A 37 3.264 -10.827 5.762 1.00 0.00 C ATOM 521 C ALA A 37 3.840 -12.031 5.024 1.00 0.00 C ATOM 522 O ALA A 37 4.442 -12.914 5.633 1.00 0.00 O ATOM 523 CB ALA A 37 1.949 -11.197 6.433 1.00 0.00 C ATOM 0 H ALA A 37 2.256 -9.781 4.250 1.00 0.00 H new ATOM 0 HA ALA A 37 3.979 -10.527 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.108 -12.040 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.578 -10.344 7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.218 -11.472 5.673 1.00 0.00 H new ATOM 529 N GLU A 38 3.649 -12.059 3.708 1.00 0.00 N ATOM 530 CA GLU A 38 4.149 -13.156 2.888 1.00 0.00 C ATOM 531 C GLU A 38 4.143 -12.777 1.410 1.00 0.00 C ATOM 532 O GLU A 38 3.347 -11.944 0.974 1.00 0.00 O ATOM 533 CB GLU A 38 3.303 -14.412 3.107 1.00 0.00 C ATOM 534 CG GLU A 38 4.072 -15.707 2.904 1.00 0.00 C ATOM 535 CD GLU A 38 5.400 -15.717 3.636 1.00 0.00 C ATOM 536 OE1 GLU A 38 5.392 -15.832 4.880 1.00 0.00 O ATOM 537 OE2 GLU A 38 6.448 -15.611 2.965 1.00 0.00 O ATOM 0 H GLU A 38 3.152 -11.335 3.188 1.00 0.00 H new ATOM 0 HA GLU A 38 5.176 -13.361 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.898 -14.395 4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.454 -14.392 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.465 -16.544 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.247 -15.858 1.839 1.00 0.00 H new ATOM 544 N VAL A 39 5.037 -13.393 0.643 1.00 0.00 N ATOM 545 CA VAL A 39 5.136 -13.121 -0.786 1.00 0.00 C ATOM 546 C VAL A 39 5.321 -14.410 -1.579 1.00 0.00 C ATOM 547 O VAL A 39 6.167 -15.241 -1.244 1.00 0.00 O ATOM 548 CB VAL A 39 6.305 -12.168 -1.096 1.00 0.00 C ATOM 549 CG1 VAL A 39 6.349 -11.843 -2.582 1.00 0.00 C ATOM 550 CG2 VAL A 39 6.191 -10.898 -0.267 1.00 0.00 C ATOM 0 H VAL A 39 5.703 -14.084 0.988 1.00 0.00 H new ATOM 0 HA VAL A 39 4.201 -12.646 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 39 7.237 -12.666 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.181 -11.168 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.482 -12.763 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.415 -11.365 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.025 -10.236 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.253 -10.395 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.213 -11.152 0.793 1.00 0.00 H new ATOM 560 N CYS A 40 4.526 -14.571 -2.630 1.00 0.00 N ATOM 561 CA CYS A 40 4.601 -15.759 -3.472 1.00 0.00 C ATOM 562 C CYS A 40 3.791 -15.573 -4.751 1.00 0.00 C ATOM 563 O CYS A 40 2.927 -14.700 -4.829 1.00 0.00 O ATOM 564 CB CYS A 40 4.096 -16.984 -2.708 1.00 0.00 C ATOM 565 SG CYS A 40 4.678 -18.561 -3.373 1.00 0.00 S ATOM 0 H CYS A 40 3.821 -13.893 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 40 5.645 -15.914 -3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.408 -16.904 -1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.006 -16.979 -2.715 1.00 0.00 H new ATOM 0 HG CYS A 40 4.200 -19.536 -2.659 1.00 0.00 H new ATOM 571 N GLY A 41 4.078 -16.398 -5.753 1.00 0.00 N ATOM 572 CA GLY A 41 3.369 -16.306 -7.016 1.00 0.00 C ATOM 573 C GLY A 41 3.164 -14.873 -7.463 1.00 0.00 C ATOM 574 O GLY A 41 4.010 -14.012 -7.219 1.00 0.00 O ATOM 0 H GLY A 41 4.789 -17.128 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.926 -16.846 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.400 -16.796 -6.922 1.00 0.00 H new ATOM 578 N TYR A 42 2.039 -14.615 -8.120 1.00 0.00 N ATOM 579 CA TYR A 42 1.727 -13.276 -8.606 1.00 0.00 C ATOM 580 C TYR A 42 0.831 -12.533 -7.619 1.00 0.00 C ATOM 581 O TYR A 42 0.007 -11.708 -8.013 1.00 0.00 O ATOM 582 CB TYR A 42 1.045 -13.353 -9.973 1.00 0.00 C ATOM 583 CG TYR A 42 1.182 -12.088 -10.790 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.367 -11.788 -11.450 1.00 0.00 C ATOM 585 CD2 TYR A 42 0.126 -11.191 -10.900 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.497 -10.633 -12.196 1.00 0.00 C ATOM 587 CE2 TYR A 42 0.246 -10.035 -11.646 1.00 0.00 C ATOM 588 CZ TYR A 42 1.433 -9.760 -12.292 1.00 0.00 C ATOM 589 OH TYR A 42 1.557 -8.608 -13.034 1.00 0.00 O ATOM 0 H TYR A 42 1.328 -15.316 -8.328 1.00 0.00 H new ATOM 0 HA TYR A 42 2.663 -12.726 -8.705 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.468 -14.186 -10.535 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.013 -13.570 -9.830 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.201 -12.470 -11.378 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.804 -11.402 -10.393 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.426 -10.414 -12.701 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.585 -9.350 -11.723 1.00 0.00 H new ATOM 0 HH TYR A 42 0.717 -8.105 -12.999 1.00 0.00 H new ATOM 599 N ARG A 43 1.000 -12.833 -6.336 1.00 0.00 N ATOM 600 CA ARG A 43 0.207 -12.195 -5.292 1.00 0.00 C ATOM 601 C ARG A 43 1.059 -11.913 -4.057 1.00 0.00 C ATOM 602 O ARG A 43 2.185 -12.399 -3.945 1.00 0.00 O ATOM 603 CB ARG A 43 -0.983 -13.079 -4.913 1.00 0.00 C ATOM 604 CG ARG A 43 -2.171 -12.936 -5.850 1.00 0.00 C ATOM 605 CD ARG A 43 -3.341 -13.799 -5.402 1.00 0.00 C ATOM 606 NE ARG A 43 -3.128 -15.211 -5.708 1.00 0.00 N ATOM 607 CZ ARG A 43 -4.075 -16.137 -5.599 1.00 0.00 C ATOM 608 NH1 ARG A 43 -5.291 -15.801 -5.192 1.00 0.00 N ATOM 609 NH2 ARG A 43 -3.805 -17.401 -5.896 1.00 0.00 N ATOM 0 H ARG A 43 1.679 -13.514 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.163 -11.246 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.662 -14.121 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.299 -12.833 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.482 -11.892 -5.889 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.875 -13.218 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.490 -13.679 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.253 -13.456 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.202 -15.502 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.502 -14.830 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.016 -16.514 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.870 -17.663 -6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.532 -18.111 -5.812 1.00 0.00 H new ATOM 623 N ILE A 44 0.514 -11.126 -3.136 1.00 0.00 N ATOM 624 CA ILE A 44 1.224 -10.781 -1.911 1.00 0.00 C ATOM 625 C ILE A 44 0.288 -10.812 -0.706 1.00 0.00 C ATOM 626 O ILE A 44 -0.832 -10.304 -0.763 1.00 0.00 O ATOM 627 CB ILE A 44 1.871 -9.387 -2.009 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.812 -8.330 -2.326 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.964 -9.384 -3.067 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.338 -6.913 -2.275 1.00 0.00 C ATOM 0 H ILE A 44 -0.416 -10.715 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 44 2.007 -11.527 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 44 2.323 -9.144 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.404 -8.522 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.011 -8.429 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.412 -8.392 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.730 -10.113 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.535 -9.645 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.533 -6.217 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.719 -6.702 -1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.142 -6.797 -3.002 1.00 0.00 H new ATOM 642 N LYS A 45 0.757 -11.409 0.384 1.00 0.00 N ATOM 643 CA LYS A 45 -0.035 -11.504 1.605 1.00 0.00 C ATOM 644 C LYS A 45 -0.104 -10.155 2.315 1.00 0.00 C ATOM 645 O LYS A 45 0.908 -9.469 2.466 1.00 0.00 O ATOM 646 CB LYS A 45 0.560 -12.556 2.543 1.00 0.00 C ATOM 647 CG LYS A 45 -0.300 -12.840 3.762 1.00 0.00 C ATOM 648 CD LYS A 45 0.162 -14.090 4.492 1.00 0.00 C ATOM 649 CE LYS A 45 -0.925 -14.637 5.405 1.00 0.00 C ATOM 650 NZ LYS A 45 -0.619 -16.019 5.865 1.00 0.00 N ATOM 0 H LYS A 45 1.682 -11.835 0.447 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.047 -11.802 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.707 -13.483 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.544 -12.222 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.264 -11.987 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.339 -12.960 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.446 -14.852 3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.051 -13.862 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.036 -13.983 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.879 -14.633 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.383 -16.356 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.538 -16.649 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.278 -16.019 6.391 1.00 0.00 H new ATOM 664 N LEU A 46 -1.302 -9.781 2.750 1.00 0.00 N ATOM 665 CA LEU A 46 -1.502 -8.515 3.446 1.00 0.00 C ATOM 666 C LEU A 46 -1.896 -8.750 4.901 1.00 0.00 C ATOM 667 O LEU A 46 -2.836 -9.492 5.189 1.00 0.00 O ATOM 668 CB LEU A 46 -2.579 -7.688 2.741 1.00 0.00 C ATOM 669 CG LEU A 46 -2.187 -7.088 1.390 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.227 -5.924 1.581 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.567 -8.151 0.495 1.00 0.00 C ATOM 0 H LEU A 46 -2.150 -10.336 2.633 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.561 -7.966 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.456 -8.319 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.877 -6.876 3.404 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.088 -6.713 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.959 -5.510 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.706 -5.153 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.327 -6.274 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.294 -7.707 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.676 -8.556 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.287 -8.953 0.331 1.00 0.00 H new ATOM 683 N HIS A 47 -1.173 -8.111 5.815 1.00 0.00 N ATOM 684 CA HIS A 47 -1.449 -8.248 7.241 1.00 0.00 C ATOM 685 C HIS A 47 -1.858 -6.908 7.846 1.00 0.00 C ATOM 686 O HIS A 47 -1.090 -5.947 7.828 1.00 0.00 O ATOM 687 CB HIS A 47 -0.222 -8.796 7.969 1.00 0.00 C ATOM 688 CG HIS A 47 -0.171 -8.426 9.419 1.00 0.00 C ATOM 689 ND1 HIS A 47 -0.599 -9.266 10.426 1.00 0.00 N ATOM 690 CD2 HIS A 47 0.263 -7.299 10.031 1.00 0.00 C ATOM 691 CE1 HIS A 47 -0.432 -8.670 11.594 1.00 0.00 C ATOM 692 NE2 HIS A 47 0.089 -7.476 11.381 1.00 0.00 N ATOM 0 H HIS A 47 -0.392 -7.493 5.594 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.276 -8.948 7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.212 -9.882 7.879 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.678 -8.427 7.476 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.670 -6.424 9.547 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.680 -9.089 12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.324 -6.795 12.103 1.00 0.00 H new ATOM 701 N PHE A 48 -3.074 -6.852 8.380 1.00 0.00 N ATOM 702 CA PHE A 48 -3.586 -5.630 8.990 1.00 0.00 C ATOM 703 C PHE A 48 -2.683 -5.172 10.131 1.00 0.00 C ATOM 704 O PHE A 48 -2.296 -5.967 10.988 1.00 0.00 O ATOM 705 CB PHE A 48 -5.009 -5.850 9.507 1.00 0.00 C ATOM 706 CG PHE A 48 -6.067 -5.617 8.466 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.461 -4.331 8.136 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.668 -6.685 7.819 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.435 -4.114 7.180 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.642 -6.474 6.862 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.026 -5.187 6.541 1.00 0.00 C ATOM 0 H PHE A 48 -3.723 -7.639 8.403 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.601 -4.852 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.097 -6.870 9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.188 -5.184 10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.002 -3.488 8.631 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.372 -7.694 8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.734 -3.106 6.932 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.103 -7.315 6.365 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.786 -5.020 5.792 1.00 0.00 H new ATOM 721 N ASP A 49 -2.351 -3.886 10.135 1.00 0.00 N ATOM 722 CA ASP A 49 -1.494 -3.321 11.171 1.00 0.00 C ATOM 723 C ASP A 49 -2.114 -3.510 12.552 1.00 0.00 C ATOM 724 O ASP A 49 -1.433 -3.395 13.570 1.00 0.00 O ATOM 725 CB ASP A 49 -1.252 -1.834 10.907 1.00 0.00 C ATOM 726 CG ASP A 49 -0.269 -1.600 9.776 1.00 0.00 C ATOM 727 OD1 ASP A 49 -0.581 -1.986 8.630 1.00 0.00 O ATOM 728 OD2 ASP A 49 0.810 -1.029 10.037 1.00 0.00 O ATOM 0 H ASP A 49 -2.662 -3.215 9.433 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.540 -3.847 11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.199 -1.352 10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.876 -1.363 11.815 1.00 0.00 H new ATOM 733 N GLY A 50 -3.411 -3.800 12.578 1.00 0.00 N ATOM 734 CA GLY A 50 -4.101 -4.000 13.840 1.00 0.00 C ATOM 735 C GLY A 50 -4.823 -5.331 13.901 1.00 0.00 C ATOM 736 O GLY A 50 -4.394 -6.245 14.607 1.00 0.00 O ATOM 0 H GLY A 50 -3.996 -3.900 11.749 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.382 -3.943 14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.819 -3.194 13.990 1.00 0.00 H new ATOM 740 N TYR A 51 -5.921 -5.442 13.163 1.00 0.00 N ATOM 741 CA TYR A 51 -6.706 -6.671 13.140 1.00 0.00 C ATOM 742 C TYR A 51 -5.798 -7.896 13.093 1.00 0.00 C ATOM 743 O TYR A 51 -4.778 -7.901 12.404 1.00 0.00 O ATOM 744 CB TYR A 51 -7.650 -6.675 11.937 1.00 0.00 C ATOM 745 CG TYR A 51 -8.457 -5.404 11.796 1.00 0.00 C ATOM 746 CD1 TYR A 51 -9.680 -5.260 12.440 1.00 0.00 C ATOM 747 CD2 TYR A 51 -7.998 -4.349 11.018 1.00 0.00 C ATOM 748 CE1 TYR A 51 -10.421 -4.101 12.313 1.00 0.00 C ATOM 749 CE2 TYR A 51 -8.731 -3.185 10.887 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.942 -3.066 11.537 1.00 0.00 C ATOM 751 OH TYR A 51 -10.677 -1.910 11.408 1.00 0.00 O ATOM 0 H TYR A 51 -6.288 -4.696 12.572 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.296 -6.713 14.056 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.067 -6.828 11.029 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.332 -7.521 12.024 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.057 -6.067 13.050 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.051 -4.440 10.506 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.371 -4.006 12.819 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.358 -2.374 10.280 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.198 -1.281 10.829 1.00 0.00 H new ATOM 761 N SER A 52 -6.179 -8.935 13.830 1.00 0.00 N ATOM 762 CA SER A 52 -5.399 -10.166 13.876 1.00 0.00 C ATOM 763 C SER A 52 -5.023 -10.624 12.470 1.00 0.00 C ATOM 764 O SER A 52 -5.719 -10.321 11.500 1.00 0.00 O ATOM 765 CB SER A 52 -6.186 -11.267 14.591 1.00 0.00 C ATOM 766 OG SER A 52 -6.468 -10.904 15.931 1.00 0.00 O ATOM 0 H SER A 52 -7.023 -8.949 14.403 1.00 0.00 H new ATOM 0 HA SER A 52 -4.482 -9.966 14.431 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.118 -11.457 14.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.615 -12.195 14.575 1.00 0.00 H new ATOM 0 HG SER A 52 -6.973 -11.623 16.365 1.00 0.00 H new ATOM 772 N ASP A 53 -3.920 -11.356 12.368 1.00 0.00 N ATOM 773 CA ASP A 53 -3.451 -11.858 11.082 1.00 0.00 C ATOM 774 C ASP A 53 -4.473 -12.807 10.464 1.00 0.00 C ATOM 775 O ASP A 53 -4.615 -12.872 9.242 1.00 0.00 O ATOM 776 CB ASP A 53 -2.108 -12.571 11.247 1.00 0.00 C ATOM 777 CG ASP A 53 -2.067 -13.448 12.484 1.00 0.00 C ATOM 778 OD1 ASP A 53 -1.703 -12.934 13.563 1.00 0.00 O ATOM 779 OD2 ASP A 53 -2.398 -14.646 12.372 1.00 0.00 O ATOM 0 H ASP A 53 -3.333 -11.615 13.161 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.321 -11.007 10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.913 -13.182 10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.311 -11.830 11.304 1.00 0.00 H new ATOM 784 N CYS A 54 -5.181 -13.541 11.315 1.00 0.00 N ATOM 785 CA CYS A 54 -6.188 -14.489 10.852 1.00 0.00 C ATOM 786 C CYS A 54 -7.075 -13.861 9.782 1.00 0.00 C ATOM 787 O CYS A 54 -7.635 -14.559 8.937 1.00 0.00 O ATOM 788 CB CYS A 54 -7.045 -14.967 12.025 1.00 0.00 C ATOM 789 SG CYS A 54 -8.207 -16.286 11.601 1.00 0.00 S ATOM 0 H CYS A 54 -5.076 -13.498 12.329 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.673 -15.344 10.415 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.389 -15.318 12.821 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.603 -14.119 12.422 1.00 0.00 H new ATOM 0 HG CYS A 54 -8.533 -16.191 10.346 1.00 0.00 H new ATOM 795 N TYR A 55 -7.198 -12.539 9.825 1.00 0.00 N ATOM 796 CA TYR A 55 -8.020 -11.816 8.861 1.00 0.00 C ATOM 797 C TYR A 55 -7.163 -11.237 7.740 1.00 0.00 C ATOM 798 O TYR A 55 -7.457 -10.167 7.208 1.00 0.00 O ATOM 799 CB TYR A 55 -8.793 -10.695 9.558 1.00 0.00 C ATOM 800 CG TYR A 55 -9.410 -11.112 10.874 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.441 -12.043 10.917 1.00 0.00 C ATOM 802 CD2 TYR A 55 -8.962 -10.576 12.075 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.008 -12.426 12.116 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.523 -10.954 13.280 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.546 -11.879 13.295 1.00 0.00 C ATOM 806 OH TYR A 55 -11.107 -12.259 14.493 1.00 0.00 O ATOM 0 H TYR A 55 -6.739 -11.946 10.517 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.728 -12.521 8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.120 -9.855 9.732 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.581 -10.341 8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.805 -12.474 9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.161 -9.851 12.067 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.809 -13.150 12.131 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.163 -10.528 14.205 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.667 -11.781 15.227 1.00 0.00 H new ATOM 816 N ASP A 56 -6.102 -11.954 7.385 1.00 0.00 N ATOM 817 CA ASP A 56 -5.202 -11.514 6.326 1.00 0.00 C ATOM 818 C ASP A 56 -5.611 -12.110 4.983 1.00 0.00 C ATOM 819 O ASP A 56 -6.048 -13.259 4.909 1.00 0.00 O ATOM 820 CB ASP A 56 -3.761 -11.908 6.655 1.00 0.00 C ATOM 821 CG ASP A 56 -3.229 -11.188 7.878 1.00 0.00 C ATOM 822 OD1 ASP A 56 -3.845 -10.182 8.289 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.197 -11.630 8.425 1.00 0.00 O ATOM 0 H ASP A 56 -5.845 -12.842 7.815 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.267 -10.428 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.710 -12.984 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.122 -11.686 5.800 1.00 0.00 H new ATOM 828 N PHE A 57 -5.467 -11.322 3.923 1.00 0.00 N ATOM 829 CA PHE A 57 -5.824 -11.771 2.582 1.00 0.00 C ATOM 830 C PHE A 57 -4.710 -11.454 1.588 1.00 0.00 C ATOM 831 O PHE A 57 -3.790 -10.695 1.892 1.00 0.00 O ATOM 832 CB PHE A 57 -7.128 -11.111 2.130 1.00 0.00 C ATOM 833 CG PHE A 57 -7.132 -9.618 2.291 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.256 -8.828 1.564 1.00 0.00 C ATOM 835 CD2 PHE A 57 -8.011 -9.004 3.169 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.257 -7.453 1.709 1.00 0.00 C ATOM 837 CE2 PHE A 57 -8.017 -7.630 3.317 1.00 0.00 C ATOM 838 CZ PHE A 57 -7.138 -6.854 2.588 1.00 0.00 C ATOM 0 H PHE A 57 -5.106 -10.369 3.966 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.964 -12.852 2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.306 -11.356 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.956 -11.532 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.564 -9.292 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.699 -9.606 3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.570 -6.848 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.709 -7.163 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.139 -5.780 2.705 1.00 0.00 H new ATOM 848 N TRP A 58 -4.801 -12.042 0.401 1.00 0.00 N ATOM 849 CA TRP A 58 -3.800 -11.824 -0.638 1.00 0.00 C ATOM 850 C TRP A 58 -4.374 -10.990 -1.779 1.00 0.00 C ATOM 851 O TRP A 58 -5.442 -11.296 -2.308 1.00 0.00 O ATOM 852 CB TRP A 58 -3.292 -13.163 -1.175 1.00 0.00 C ATOM 853 CG TRP A 58 -2.506 -13.946 -0.167 1.00 0.00 C ATOM 854 CD1 TRP A 58 -2.936 -14.370 1.058 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.153 -14.397 -0.298 1.00 0.00 C ATOM 856 NE1 TRP A 58 -1.932 -15.057 1.697 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.828 -15.089 0.886 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.186 -14.286 -1.300 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.423 -15.664 1.092 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.056 -14.857 -1.094 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.351 -15.540 0.094 1.00 0.00 C ATOM 0 H TRP A 58 -5.557 -12.673 0.134 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.966 -11.278 -0.196 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.142 -13.760 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.669 -12.983 -2.051 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.920 -14.192 1.465 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.998 -15.475 2.625 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.405 -13.763 -2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.653 -16.189 2.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.812 -14.775 -1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.330 -15.977 0.224 1.00 0.00 H new ATOM 872 N VAL A 59 -3.657 -9.936 -2.154 1.00 0.00 N ATOM 873 CA VAL A 59 -4.094 -9.058 -3.233 1.00 0.00 C ATOM 874 C VAL A 59 -3.212 -9.223 -4.466 1.00 0.00 C ATOM 875 O VAL A 59 -2.124 -9.792 -4.392 1.00 0.00 O ATOM 876 CB VAL A 59 -4.078 -7.581 -2.798 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.841 -7.400 -1.494 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.647 -7.082 -2.661 1.00 0.00 C ATOM 0 H VAL A 59 -2.770 -9.669 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.116 -9.344 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.574 -6.988 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.819 -6.350 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.875 -7.717 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.376 -8.003 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.654 -6.036 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.124 -7.677 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.136 -7.174 -3.619 1.00 0.00 H new ATOM 888 N ASN A 60 -3.690 -8.720 -5.600 1.00 0.00 N ATOM 889 CA ASN A 60 -2.946 -8.811 -6.851 1.00 0.00 C ATOM 890 C ASN A 60 -1.702 -7.928 -6.809 1.00 0.00 C ATOM 891 O ASN A 60 -1.786 -6.734 -6.526 1.00 0.00 O ATOM 892 CB ASN A 60 -3.834 -8.405 -8.028 1.00 0.00 C ATOM 893 CG ASN A 60 -5.146 -9.165 -8.052 1.00 0.00 C ATOM 894 OD1 ASN A 60 -6.096 -8.807 -7.356 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.203 -10.220 -8.856 1.00 0.00 N ATOM 0 H ASN A 60 -4.589 -8.245 -5.678 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.631 -9.846 -6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.038 -7.336 -7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.299 -8.581 -8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.060 -10.771 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.390 -10.480 -9.415 1.00 0.00 H new ATOM 902 N ALA A 61 -0.549 -8.526 -7.092 1.00 0.00 N ATOM 903 CA ALA A 61 0.711 -7.794 -7.090 1.00 0.00 C ATOM 904 C ALA A 61 0.604 -6.513 -7.911 1.00 0.00 C ATOM 905 O ALA A 61 1.332 -5.549 -7.673 1.00 0.00 O ATOM 906 CB ALA A 61 1.833 -8.673 -7.623 1.00 0.00 C ATOM 0 H ALA A 61 -0.462 -9.515 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 61 0.939 -7.516 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.768 -8.113 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.934 -9.556 -6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.602 -8.980 -8.643 1.00 0.00 H new ATOM 912 N ASP A 62 -0.306 -6.511 -8.878 1.00 0.00 N ATOM 913 CA ASP A 62 -0.509 -5.348 -9.734 1.00 0.00 C ATOM 914 C ASP A 62 -1.903 -4.762 -9.535 1.00 0.00 C ATOM 915 O ASP A 62 -2.515 -4.257 -10.475 1.00 0.00 O ATOM 916 CB ASP A 62 -0.307 -5.728 -11.202 1.00 0.00 C ATOM 917 CG ASP A 62 -0.047 -4.521 -12.082 1.00 0.00 C ATOM 918 OD1 ASP A 62 1.125 -4.101 -12.184 1.00 0.00 O ATOM 919 OD2 ASP A 62 -1.016 -3.996 -12.669 1.00 0.00 O ATOM 0 H ASP A 62 -0.915 -7.302 -9.089 1.00 0.00 H new ATOM 0 HA ASP A 62 0.226 -4.592 -9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.531 -6.420 -11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.191 -6.254 -11.563 1.00 0.00 H new ATOM 924 N ALA A 63 -2.399 -4.834 -8.304 1.00 0.00 N ATOM 925 CA ALA A 63 -3.720 -4.310 -7.981 1.00 0.00 C ATOM 926 C ALA A 63 -3.717 -2.785 -7.962 1.00 0.00 C ATOM 927 O ALA A 63 -2.710 -2.160 -7.625 1.00 0.00 O ATOM 928 CB ALA A 63 -4.191 -4.855 -6.641 1.00 0.00 C ATOM 0 H ALA A 63 -1.906 -5.250 -7.514 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.412 -4.636 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.179 -4.455 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.242 -5.943 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.490 -4.558 -5.861 1.00 0.00 H new ATOM 934 N LEU A 64 -4.848 -2.191 -8.326 1.00 0.00 N ATOM 935 CA LEU A 64 -4.975 -0.738 -8.352 1.00 0.00 C ATOM 936 C LEU A 64 -5.468 -0.211 -7.008 1.00 0.00 C ATOM 937 O LEU A 64 -5.284 0.963 -6.685 1.00 0.00 O ATOM 938 CB LEU A 64 -5.934 -0.310 -9.463 1.00 0.00 C ATOM 939 CG LEU A 64 -5.724 -0.975 -10.824 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.888 -0.668 -11.753 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.411 -0.520 -11.443 1.00 0.00 C ATOM 0 H LEU A 64 -5.690 -2.693 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.990 -0.315 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.953 -0.514 -9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.851 0.769 -9.592 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.678 -2.054 -10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.721 -1.149 -12.717 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.812 -1.044 -11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.966 0.410 -11.895 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.278 -1.003 -12.411 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.427 0.562 -11.577 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.585 -0.792 -10.785 1.00 0.00 H new ATOM 953 N ASP A 65 -6.093 -1.086 -6.228 1.00 0.00 N ATOM 954 CA ASP A 65 -6.609 -0.710 -4.917 1.00 0.00 C ATOM 955 C ASP A 65 -5.472 -0.338 -3.971 1.00 0.00 C ATOM 956 O ASP A 65 -5.546 0.666 -3.262 1.00 0.00 O ATOM 957 CB ASP A 65 -7.430 -1.855 -4.322 1.00 0.00 C ATOM 958 CG ASP A 65 -6.873 -3.217 -4.685 1.00 0.00 C ATOM 959 OD1 ASP A 65 -5.941 -3.680 -3.995 1.00 0.00 O ATOM 960 OD2 ASP A 65 -7.369 -3.820 -5.660 1.00 0.00 O ATOM 0 H ASP A 65 -6.255 -2.061 -6.481 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.252 0.161 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.456 -1.754 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.459 -1.781 -4.674 1.00 0.00 H new ATOM 965 N ILE A 66 -4.423 -1.153 -3.966 1.00 0.00 N ATOM 966 CA ILE A 66 -3.271 -0.908 -3.107 1.00 0.00 C ATOM 967 C ILE A 66 -2.481 0.308 -3.580 1.00 0.00 C ATOM 968 O ILE A 66 -2.456 0.621 -4.770 1.00 0.00 O ATOM 969 CB ILE A 66 -2.333 -2.129 -3.062 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.921 -2.536 -4.479 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.008 -3.290 -2.347 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.915 -3.665 -4.514 1.00 0.00 C ATOM 0 H ILE A 66 -4.347 -1.988 -4.547 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.658 -0.720 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.435 -1.858 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.809 -2.834 -5.036 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.501 -1.670 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.332 -4.145 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.255 -2.995 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.920 -3.563 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.669 -3.901 -5.549 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.011 -3.363 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.340 -4.546 -4.032 1.00 0.00 H new ATOM 984 N HIS A 67 -1.835 0.989 -2.639 1.00 0.00 N ATOM 985 CA HIS A 67 -1.041 2.170 -2.959 1.00 0.00 C ATOM 986 C HIS A 67 0.139 2.307 -2.002 1.00 0.00 C ATOM 987 O HIS A 67 0.090 1.874 -0.851 1.00 0.00 O ATOM 988 CB HIS A 67 -1.911 3.427 -2.898 1.00 0.00 C ATOM 989 CG HIS A 67 -2.769 3.621 -4.110 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.257 3.921 -5.354 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.112 3.555 -4.263 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.248 4.033 -6.220 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.384 3.814 -5.584 1.00 0.00 N ATOM 0 H HIS A 67 -1.846 0.743 -1.649 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.653 2.054 -3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.549 3.375 -2.016 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.268 4.298 -2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.835 3.339 -3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.146 4.264 -7.270 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.313 3.834 -6.005 1.00 0.00 H new ATOM 1002 N PRO A 68 1.227 2.923 -2.489 1.00 0.00 N ATOM 1003 CA PRO A 68 2.441 3.131 -1.693 1.00 0.00 C ATOM 1004 C PRO A 68 2.238 4.155 -0.582 1.00 0.00 C ATOM 1005 O PRO A 68 1.401 5.051 -0.695 1.00 0.00 O ATOM 1006 CB PRO A 68 3.453 3.648 -2.719 1.00 0.00 C ATOM 1007 CG PRO A 68 2.623 4.271 -3.788 1.00 0.00 C ATOM 1008 CD PRO A 68 1.356 3.464 -3.852 1.00 0.00 C ATOM 0 HA PRO A 68 2.756 2.220 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.134 4.373 -2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.065 2.837 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.410 5.315 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.144 4.256 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.499 4.082 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.423 2.669 -4.595 1.00 0.00 H new ATOM 1016 N VAL A 69 3.009 4.017 0.492 1.00 0.00 N ATOM 1017 CA VAL A 69 2.915 4.932 1.623 1.00 0.00 C ATOM 1018 C VAL A 69 2.808 6.378 1.154 1.00 0.00 C ATOM 1019 O VAL A 69 3.405 6.761 0.149 1.00 0.00 O ATOM 1020 CB VAL A 69 4.131 4.796 2.558 1.00 0.00 C ATOM 1021 CG1 VAL A 69 4.059 5.819 3.681 1.00 0.00 C ATOM 1022 CG2 VAL A 69 4.218 3.384 3.117 1.00 0.00 C ATOM 0 H VAL A 69 3.706 3.280 0.602 1.00 0.00 H new ATOM 0 HA VAL A 69 2.012 4.664 2.172 1.00 0.00 H new ATOM 0 HB VAL A 69 5.035 4.990 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.927 5.707 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.049 6.824 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.149 5.660 4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.083 3.306 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.312 3.159 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.321 2.674 2.297 1.00 0.00 H new ATOM 1032 N GLY A 70 2.042 7.178 1.889 1.00 0.00 N ATOM 1033 CA GLY A 70 1.870 8.575 1.533 1.00 0.00 C ATOM 1034 C GLY A 70 1.135 8.751 0.219 1.00 0.00 C ATOM 1035 O GLY A 70 1.461 9.640 -0.568 1.00 0.00 O ATOM 0 H GLY A 70 1.537 6.884 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.320 9.084 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.847 9.053 1.466 1.00 0.00 H new ATOM 1039 N TRP A 71 0.143 7.902 -0.021 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.639 7.967 -1.250 1.00 0.00 C ATOM 1041 C TRP A 71 -1.865 8.855 -1.069 1.00 0.00 C ATOM 1042 O TRP A 71 -2.143 9.723 -1.898 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.069 6.564 -1.681 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.071 6.566 -2.796 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.826 6.811 -4.117 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.476 6.313 -2.686 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.995 6.725 -4.835 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.021 6.420 -3.980 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.326 6.004 -1.621 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.376 6.230 -4.235 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -5.671 5.816 -1.875 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.186 5.928 -3.173 1.00 0.00 C ATOM 0 H TRP A 71 -0.139 7.160 0.619 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.011 8.401 -2.028 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.189 6.002 -1.994 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.492 6.042 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.857 7.039 -4.536 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -3.084 6.866 -5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.938 5.914 -0.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.774 6.318 -5.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.337 5.579 -1.059 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.242 5.773 -3.339 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.595 8.633 0.019 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.793 9.414 0.308 1.00 0.00 C ATOM 1065 C CYS A 72 -3.604 10.871 -0.100 1.00 0.00 C ATOM 1066 O CYS A 72 -4.501 11.485 -0.676 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.136 9.328 1.796 1.00 0.00 C ATOM 1068 SG CYS A 72 -2.804 9.869 2.893 1.00 0.00 S ATOM 0 H CYS A 72 -2.379 7.919 0.715 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.617 8.998 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.021 9.935 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.396 8.298 2.039 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.190 9.762 4.130 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.431 11.418 0.206 1.00 0.00 N ATOM 1075 CA GLU A 73 -2.127 12.805 -0.127 1.00 0.00 C ATOM 1076 C GLU A 73 -1.788 12.947 -1.608 1.00 0.00 C ATOM 1077 O GLU A 73 -2.169 13.924 -2.254 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.962 13.313 0.725 1.00 0.00 C ATOM 1079 CG GLU A 73 -1.286 13.405 2.206 1.00 0.00 C ATOM 1080 CD GLU A 73 -0.188 14.082 3.003 1.00 0.00 C ATOM 1081 OE1 GLU A 73 0.096 15.267 2.735 1.00 0.00 O ATOM 1082 OE2 GLU A 73 0.387 13.424 3.896 1.00 0.00 O ATOM 0 H GLU A 73 -1.677 10.923 0.683 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.012 13.405 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.107 12.650 0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.662 14.297 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.217 13.956 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.451 12.403 2.601 1.00 0.00 H new ATOM 1089 N LYS A 74 -1.068 11.966 -2.141 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.677 11.979 -3.546 1.00 0.00 C ATOM 1091 C LYS A 74 -1.876 12.271 -4.442 1.00 0.00 C ATOM 1092 O LYS A 74 -1.787 13.070 -5.375 1.00 0.00 O ATOM 1093 CB LYS A 74 -0.051 10.637 -3.935 1.00 0.00 C ATOM 1094 CG LYS A 74 0.158 10.474 -5.430 1.00 0.00 C ATOM 1095 CD LYS A 74 1.454 11.123 -5.886 1.00 0.00 C ATOM 1096 CE LYS A 74 1.357 11.615 -7.322 1.00 0.00 C ATOM 1097 NZ LYS A 74 2.685 12.021 -7.860 1.00 0.00 N ATOM 0 H LYS A 74 -0.743 11.151 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 74 0.059 12.771 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.909 10.533 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.690 9.830 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.172 9.414 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.681 10.918 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.694 11.959 -5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.271 10.406 -5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.937 10.828 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.671 12.461 -7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.576 12.350 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.075 12.790 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.332 11.207 -7.838 1.00 0.00 H new ATOM 1111 N THR A 75 -2.998 11.621 -4.152 1.00 0.00 N ATOM 1112 CA THR A 75 -4.215 11.812 -4.931 1.00 0.00 C ATOM 1113 C THR A 75 -5.182 12.751 -4.219 1.00 0.00 C ATOM 1114 O THR A 75 -5.640 13.738 -4.793 1.00 0.00 O ATOM 1115 CB THR A 75 -4.925 10.472 -5.202 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.328 9.872 -3.966 1.00 0.00 O ATOM 1117 CG2 THR A 75 -4.012 9.520 -5.960 1.00 0.00 C ATOM 0 H THR A 75 -3.089 10.957 -3.383 1.00 0.00 H new ATOM 0 HA THR A 75 -3.916 12.255 -5.881 1.00 0.00 H new ATOM 0 HB THR A 75 -5.806 10.670 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.335 8.897 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.535 8.581 -6.140 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.731 9.967 -6.913 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.115 9.329 -5.370 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.489 12.437 -2.964 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.400 13.264 -2.194 1.00 0.00 C ATOM 1127 C GLY A 76 -7.561 12.473 -1.626 1.00 0.00 C ATOM 1128 O GLY A 76 -8.696 12.605 -2.087 1.00 0.00 O ATOM 0 H GLY A 76 -5.123 11.625 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.854 13.738 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.784 14.063 -2.828 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.279 11.646 -0.624 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.310 10.829 0.006 1.00 0.00 C ATOM 1134 C HIS A 77 -8.152 10.831 1.524 1.00 0.00 C ATOM 1135 O HIS A 77 -7.170 11.349 2.056 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.250 9.396 -0.523 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.053 9.184 -1.770 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.390 9.507 -1.868 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -8.699 8.680 -2.975 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -10.824 9.209 -3.080 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -9.818 8.706 -3.771 1.00 0.00 N ATOM 0 H HIS A 77 -6.346 11.524 -0.231 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.281 11.259 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.211 9.134 -0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.609 8.717 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.719 8.324 -3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -11.831 9.353 -3.444 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.864 8.388 -4.739 1.00 0.00 H new ATOM 1150 N LYS A 78 -9.125 10.247 2.216 1.00 0.00 N ATOM 1151 CA LYS A 78 -9.094 10.180 3.672 1.00 0.00 C ATOM 1152 C LYS A 78 -8.738 8.774 4.144 1.00 0.00 C ATOM 1153 O LYS A 78 -9.581 7.876 4.145 1.00 0.00 O ATOM 1154 CB LYS A 78 -10.448 10.596 4.251 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.607 12.098 4.408 1.00 0.00 C ATOM 1156 CD LYS A 78 -10.123 12.570 5.769 1.00 0.00 C ATOM 1157 CE LYS A 78 -11.089 12.170 6.874 1.00 0.00 C ATOM 1158 NZ LYS A 78 -12.183 13.166 7.042 1.00 0.00 N ATOM 0 H LYS A 78 -9.945 9.813 1.791 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.327 10.869 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.241 10.221 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.579 10.122 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.047 12.608 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.655 12.369 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.139 12.147 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.008 13.654 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.518 11.194 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.544 12.067 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.820 12.857 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.776 14.092 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.719 13.246 6.154 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.485 8.589 4.547 1.00 0.00 N ATOM 1173 CA LEU A 79 -7.018 7.292 5.024 1.00 0.00 C ATOM 1174 C LEU A 79 -7.610 6.970 6.392 1.00 0.00 C ATOM 1175 O LEU A 79 -7.895 7.868 7.184 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.490 7.275 5.099 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.874 6.189 5.981 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.166 4.809 5.411 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.374 6.403 6.122 1.00 0.00 C ATOM 0 H LEU A 79 -6.775 9.321 4.553 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.349 6.531 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.098 7.160 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.153 8.245 5.463 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.325 6.254 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.720 4.049 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.244 4.656 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.744 4.732 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.953 5.621 6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.907 6.366 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.186 7.376 6.576 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.789 5.681 6.664 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.344 5.239 7.939 1.00 0.00 C ATOM 1193 C HIS A 80 -7.296 4.491 8.758 1.00 0.00 C ATOM 1194 O HIS A 80 -6.569 3.638 8.249 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.561 4.344 7.706 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.714 5.054 7.066 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -11.941 5.201 7.678 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.821 5.662 5.862 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.754 5.866 6.877 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.098 6.159 5.768 1.00 0.00 N ATOM 0 H HIS A 80 -7.558 4.925 6.019 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.654 6.122 8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.268 3.504 7.077 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.885 3.930 8.661 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.046 5.742 5.114 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.780 6.126 7.092 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.478 6.671 4.972 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.215 4.818 10.056 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.259 4.189 10.972 1.00 0.00 C ATOM 1211 C PRO A 81 -6.605 2.732 11.260 1.00 0.00 C ATOM 1212 O PRO A 81 -7.732 2.282 11.048 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.383 5.029 12.246 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.755 5.605 12.187 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.050 5.826 10.730 1.00 0.00 C ATOM 0 HA PRO A 81 -5.252 4.166 10.556 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.248 4.417 13.138 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.626 5.812 12.279 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.482 4.927 12.634 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.809 6.541 12.742 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.108 5.685 10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.791 6.837 10.416 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.615 1.974 11.754 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.791 0.556 12.083 1.00 0.00 C ATOM 1225 C PRO A 82 -6.688 0.350 13.298 1.00 0.00 C ATOM 1226 O PRO A 82 -7.350 1.280 13.760 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.367 0.082 12.382 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.641 1.310 12.812 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.247 2.443 12.032 1.00 0.00 C ATOM 0 HA PRO A 82 -6.276 0.007 11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.359 -0.677 13.164 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.905 -0.363 11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.750 1.472 13.884 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.574 1.224 12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.249 3.370 12.606 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.695 2.638 11.113 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.707 -0.875 13.813 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.522 -1.204 14.976 1.00 0.00 C ATOM 1239 C LYS A 83 -7.003 -0.493 16.222 1.00 0.00 C ATOM 1240 O LYS A 83 -5.823 -0.588 16.557 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.531 -2.717 15.206 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.338 -3.219 16.001 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.595 -3.152 17.497 1.00 0.00 C ATOM 1244 CE LYS A 83 -7.263 -4.420 18.005 1.00 0.00 C ATOM 1245 NZ LYS A 83 -6.388 -5.613 17.839 1.00 0.00 N ATOM 0 H LYS A 83 -6.167 -1.657 13.443 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.540 -0.866 14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.447 -2.991 15.730 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.552 -3.223 14.241 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.116 -4.247 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.459 -2.623 15.755 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.652 -3.000 18.023 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.226 -2.292 17.721 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.517 -4.300 19.058 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.198 -4.578 17.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.653 -6.338 18.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.503 -5.997 16.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.396 -5.339 17.986 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.894 0.218 16.907 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.507 0.933 18.109 1.00 0.00 C ATOM 1261 C GLY A 84 -6.577 2.094 17.818 1.00 0.00 C ATOM 1262 O GLY A 84 -5.693 2.405 18.617 1.00 0.00 O ATOM 0 H GLY A 84 -8.877 0.311 16.651 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.401 1.304 18.611 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.018 0.243 18.797 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.775 2.737 16.673 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.944 3.867 16.277 1.00 0.00 C ATOM 1268 C TYR A 85 -6.789 4.972 15.650 1.00 0.00 C ATOM 1269 O TYR A 85 -7.723 4.703 14.894 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.865 3.414 15.292 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.585 2.965 15.960 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.593 3.879 16.291 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.367 1.625 16.258 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.422 3.473 16.901 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.200 1.210 16.869 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.230 2.138 17.189 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.065 1.729 17.796 1.00 0.00 O ATOM 0 H TYR A 85 -7.504 2.495 16.002 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.466 4.264 17.172 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.257 2.595 14.689 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.641 4.234 14.610 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.740 4.925 16.068 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.123 0.896 16.007 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.661 4.197 17.151 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.047 0.165 17.095 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.089 0.758 17.930 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.454 6.217 15.970 1.00 0.00 N ATOM 1288 CA LYS A 86 -7.180 7.365 15.438 1.00 0.00 C ATOM 1289 C LYS A 86 -6.267 8.234 14.578 1.00 0.00 C ATOM 1290 O LYS A 86 -5.095 8.426 14.899 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.766 8.198 16.581 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.545 9.413 16.110 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.764 9.013 15.295 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.721 10.181 15.114 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.341 10.595 16.403 1.00 0.00 N ATOM 0 H LYS A 86 -5.685 6.457 16.595 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.993 6.993 14.814 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.422 7.567 17.181 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.956 8.526 17.233 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.860 10.001 16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.897 10.051 15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.446 8.647 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.281 8.191 15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.185 11.026 14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.503 9.903 14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.208 11.136 16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.576 9.750 16.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.673 11.188 16.935 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.814 8.759 13.486 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.049 9.608 12.581 1.00 0.00 C ATOM 1311 C GLU A 87 -5.145 10.558 13.362 1.00 0.00 C ATOM 1312 O GLU A 87 -3.953 10.671 13.077 1.00 0.00 O ATOM 1313 CB GLU A 87 -6.990 10.408 11.678 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.069 11.161 12.438 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.246 11.537 11.560 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -9.018 11.903 10.388 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -10.395 11.465 12.044 1.00 0.00 O ATOM 0 H GLU A 87 -7.784 8.611 13.207 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.424 8.965 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.404 11.119 11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.464 9.729 10.969 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.420 10.547 13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.640 12.065 12.871 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.722 11.240 14.346 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.969 12.181 15.166 1.00 0.00 C ATOM 1326 C GLU A 88 -3.916 11.456 15.999 1.00 0.00 C ATOM 1327 O GLU A 88 -2.807 11.955 16.188 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.913 12.961 16.084 1.00 0.00 C ATOM 1329 CG GLU A 88 -5.194 13.888 17.050 1.00 0.00 C ATOM 1330 CD GLU A 88 -6.020 15.107 17.412 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -6.650 15.688 16.504 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -6.036 15.480 18.604 1.00 0.00 O ATOM 0 H GLU A 88 -6.708 11.158 14.595 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.462 12.879 14.500 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.598 13.548 15.472 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.518 12.255 16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.946 13.339 17.958 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.252 14.211 16.606 1.00 0.00 H new ATOM 1339 N GLU A 89 -4.272 10.275 16.495 1.00 0.00 N ATOM 1340 CA GLU A 89 -3.359 9.482 17.309 1.00 0.00 C ATOM 1341 C GLU A 89 -2.601 8.473 16.450 1.00 0.00 C ATOM 1342 O GLU A 89 -2.484 7.300 16.808 1.00 0.00 O ATOM 1343 CB GLU A 89 -4.126 8.753 18.414 1.00 0.00 C ATOM 1344 CG GLU A 89 -5.007 9.668 19.248 1.00 0.00 C ATOM 1345 CD GLU A 89 -5.476 9.014 20.533 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -4.644 8.372 21.209 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -6.673 9.143 20.863 1.00 0.00 O ATOM 0 H GLU A 89 -5.186 9.847 16.347 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.638 10.160 17.765 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.745 7.977 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.414 8.252 19.069 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.456 10.577 19.488 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.874 9.967 18.659 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.089 8.937 15.315 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.345 8.076 14.404 1.00 0.00 C ATOM 1356 C PHE A 90 -0.767 8.882 13.244 1.00 0.00 C ATOM 1357 O PHE A 90 -1.387 9.829 12.763 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.248 6.963 13.867 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.540 6.006 12.951 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.494 5.226 13.417 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.920 5.888 11.624 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.159 4.344 12.577 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -1.271 5.007 10.779 1.00 0.00 C ATOM 1364 CZ PHE A 90 -0.229 4.235 11.256 1.00 0.00 C ATOM 0 H PHE A 90 -2.176 9.905 15.004 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.521 7.629 14.959 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.666 6.408 14.707 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.086 7.412 13.333 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.185 5.308 14.449 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.732 6.491 11.245 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.972 3.741 12.953 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.578 4.922 9.747 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.281 3.548 10.597 1.00 0.00 H new ATOM 1374 N ASN A 91 0.426 8.498 12.801 1.00 0.00 N ATOM 1375 CA ASN A 91 1.089 9.185 11.699 1.00 0.00 C ATOM 1376 C ASN A 91 2.116 8.276 11.030 1.00 0.00 C ATOM 1377 O ASN A 91 2.956 7.675 11.699 1.00 0.00 O ATOM 1378 CB ASN A 91 1.769 10.460 12.200 1.00 0.00 C ATOM 1379 CG ASN A 91 1.808 11.549 11.145 1.00 0.00 C ATOM 1380 OD1 ASN A 91 2.198 11.181 9.930 1.00 0.00 O flip ATOM 1381 ND2 ASN A 91 1.490 12.706 11.419 1.00 0.00 N flip ATOM 0 H ASN A 91 0.953 7.715 13.188 1.00 0.00 H new ATOM 0 HA ASN A 91 0.331 9.451 10.962 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.240 10.829 13.079 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.786 10.226 12.514 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.196 12.943 12.367 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.520 13.427 10.699 1.00 0.00 H new ATOM 1388 N TRP A 92 2.042 8.181 9.708 1.00 0.00 N ATOM 1389 CA TRP A 92 2.966 7.346 8.948 1.00 0.00 C ATOM 1390 C TRP A 92 4.396 7.528 9.443 1.00 0.00 C ATOM 1391 O TRP A 92 4.961 6.636 10.075 1.00 0.00 O ATOM 1392 CB TRP A 92 2.882 7.682 7.458 1.00 0.00 C ATOM 1393 CG TRP A 92 1.865 6.863 6.722 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.706 7.312 6.155 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.916 5.454 6.473 1.00 0.00 C ATOM 1396 NE1 TRP A 92 0.033 6.267 5.570 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.755 5.117 5.750 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.830 4.446 6.789 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.486 3.813 5.341 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.561 3.152 6.382 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.398 2.845 5.664 1.00 0.00 C ATOM 0 H TRP A 92 1.352 8.672 9.139 1.00 0.00 H new ATOM 0 HA TRP A 92 2.680 6.304 9.095 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.639 8.738 7.344 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.860 7.529 7.002 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.368 8.338 6.165 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.859 6.336 5.081 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.730 4.673 7.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.411 3.574 4.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.260 2.364 6.622 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.218 1.825 5.359 1.00 0.00 H new ATOM 1412 N GLN A 93 4.976 8.688 9.152 1.00 0.00 N ATOM 1413 CA GLN A 93 6.341 8.985 9.569 1.00 0.00 C ATOM 1414 C GLN A 93 6.556 8.617 11.033 1.00 0.00 C ATOM 1415 O GLN A 93 7.553 7.986 11.386 1.00 0.00 O ATOM 1416 CB GLN A 93 6.652 10.467 9.352 1.00 0.00 C ATOM 1417 CG GLN A 93 5.574 11.398 9.883 1.00 0.00 C ATOM 1418 CD GLN A 93 5.587 12.754 9.203 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.706 13.789 9.860 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.465 12.754 7.881 1.00 0.00 N ATOM 0 H GLN A 93 4.522 9.437 8.629 1.00 0.00 H new ATOM 0 HA GLN A 93 7.018 8.386 8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.598 10.706 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.785 10.650 8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.597 10.935 9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.712 11.532 10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.369 11.872 7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.467 13.636 7.369 1.00 0.00 H new ATOM 1429 N THR A 94 5.615 9.014 11.883 1.00 0.00 N ATOM 1430 CA THR A 94 5.702 8.727 13.309 1.00 0.00 C ATOM 1431 C THR A 94 5.679 7.226 13.570 1.00 0.00 C ATOM 1432 O THR A 94 6.254 6.747 14.548 1.00 0.00 O ATOM 1433 CB THR A 94 4.549 9.390 14.087 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.513 10.794 13.808 1.00 0.00 O ATOM 1435 CG2 THR A 94 4.709 9.169 15.583 1.00 0.00 C ATOM 0 H THR A 94 4.783 9.536 11.608 1.00 0.00 H new ATOM 0 HA THR A 94 6.649 9.139 13.657 1.00 0.00 H new ATOM 0 HB THR A 94 3.613 8.933 13.766 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.776 11.207 14.305 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.884 9.646 16.112 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.706 8.100 15.795 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.652 9.603 15.916 1.00 0.00 H new ATOM 1443 N TYR A 95 5.013 6.487 12.690 1.00 0.00 N ATOM 1444 CA TYR A 95 4.914 5.039 12.827 1.00 0.00 C ATOM 1445 C TYR A 95 6.081 4.345 12.131 1.00 0.00 C ATOM 1446 O TYR A 95 6.410 3.198 12.438 1.00 0.00 O ATOM 1447 CB TYR A 95 3.590 4.540 12.245 1.00 0.00 C ATOM 1448 CG TYR A 95 3.429 3.038 12.308 1.00 0.00 C ATOM 1449 CD1 TYR A 95 3.753 2.332 13.460 1.00 0.00 C ATOM 1450 CD2 TYR A 95 2.952 2.325 11.215 1.00 0.00 C ATOM 1451 CE1 TYR A 95 3.608 0.959 13.521 1.00 0.00 C ATOM 1452 CE2 TYR A 95 2.803 0.952 11.267 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.133 0.274 12.422 1.00 0.00 C ATOM 1454 OH TYR A 95 2.986 -1.093 12.479 1.00 0.00 O ATOM 0 H TYR A 95 4.534 6.867 11.874 1.00 0.00 H new ATOM 0 HA TYR A 95 4.951 4.797 13.889 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.766 5.008 12.784 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.515 4.862 11.206 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.125 2.865 14.323 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.693 2.853 10.309 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.865 0.425 14.424 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.430 0.413 10.408 1.00 0.00 H new ATOM 0 HH TYR A 95 2.362 -1.384 11.782 1.00 0.00 H new ATOM 1464 N LEU A 96 6.705 5.049 11.193 1.00 0.00 N ATOM 1465 CA LEU A 96 7.837 4.503 10.453 1.00 0.00 C ATOM 1466 C LEU A 96 9.149 4.789 11.176 1.00 0.00 C ATOM 1467 O LEU A 96 10.191 4.224 10.842 1.00 0.00 O ATOM 1468 CB LEU A 96 7.880 5.091 9.041 1.00 0.00 C ATOM 1469 CG LEU A 96 6.611 4.923 8.205 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.465 6.072 7.220 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.627 3.589 7.473 1.00 0.00 C ATOM 0 H LEU A 96 6.446 5.999 10.927 1.00 0.00 H new ATOM 0 HA LEU A 96 7.709 3.423 10.386 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.101 6.155 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.709 4.632 8.503 1.00 0.00 H new ATOM 0 HG LEU A 96 5.752 4.936 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.556 5.935 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.407 7.014 7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.327 6.092 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.716 3.487 6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.493 3.547 6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.683 2.777 8.198 1.00 0.00 H new ATOM 1483 N LYS A 97 9.092 5.669 12.169 1.00 0.00 N ATOM 1484 CA LYS A 97 10.274 6.029 12.943 1.00 0.00 C ATOM 1485 C LYS A 97 10.429 5.117 14.156 1.00 0.00 C ATOM 1486 O LYS A 97 11.545 4.789 14.560 1.00 0.00 O ATOM 1487 CB LYS A 97 10.187 7.488 13.397 1.00 0.00 C ATOM 1488 CG LYS A 97 9.490 7.669 14.735 1.00 0.00 C ATOM 1489 CD LYS A 97 10.473 7.590 15.891 1.00 0.00 C ATOM 1490 CE LYS A 97 9.907 8.231 17.148 1.00 0.00 C ATOM 1491 NZ LYS A 97 9.787 9.709 17.011 1.00 0.00 N ATOM 0 H LYS A 97 8.238 6.147 12.457 1.00 0.00 H new ATOM 0 HA LYS A 97 11.148 5.905 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.194 7.900 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.656 8.064 12.639 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.981 8.633 14.754 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.724 6.902 14.854 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.717 6.547 16.092 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.402 8.088 15.614 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.927 7.805 17.363 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.550 7.996 17.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.747 10.143 17.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.611 10.078 16.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.919 9.940 16.487 1.00 0.00 H new ATOM 1505 N THR A 98 9.302 4.709 14.732 1.00 0.00 N ATOM 1506 CA THR A 98 9.313 3.834 15.897 1.00 0.00 C ATOM 1507 C THR A 98 9.452 2.373 15.487 1.00 0.00 C ATOM 1508 O THR A 98 10.028 1.565 16.217 1.00 0.00 O ATOM 1509 CB THR A 98 8.033 4.001 16.737 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.252 3.517 18.066 1.00 0.00 O ATOM 1511 CG2 THR A 98 6.870 3.251 16.104 1.00 0.00 C ATOM 0 H THR A 98 8.370 4.971 14.410 1.00 0.00 H new ATOM 0 HA THR A 98 10.174 4.122 16.500 1.00 0.00 H new ATOM 0 HB THR A 98 7.785 5.062 16.774 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.434 3.628 18.594 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.977 3.383 16.714 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.687 3.642 15.103 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.113 2.190 16.041 1.00 0.00 H new ATOM 1519 N CYS A 99 8.921 2.039 14.316 1.00 0.00 N ATOM 1520 CA CYS A 99 8.986 0.673 13.808 1.00 0.00 C ATOM 1521 C CYS A 99 10.322 0.411 13.120 1.00 0.00 C ATOM 1522 O CYS A 99 10.660 -0.731 12.810 1.00 0.00 O ATOM 1523 CB CYS A 99 7.837 0.415 12.833 1.00 0.00 C ATOM 1524 SG CYS A 99 6.334 -0.220 13.613 1.00 0.00 S ATOM 0 H CYS A 99 8.441 2.695 13.700 1.00 0.00 H new ATOM 0 HA CYS A 99 8.895 -0.008 14.654 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.600 1.344 12.314 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.169 -0.296 12.077 1.00 0.00 H new ATOM 0 HG CYS A 99 5.323 0.526 13.278 1.00 0.00 H new ATOM 1530 N LYS A 100 11.078 1.478 12.883 1.00 0.00 N ATOM 1531 CA LYS A 100 12.377 1.365 12.231 1.00 0.00 C ATOM 1532 C LYS A 100 12.252 0.654 10.887 1.00 0.00 C ATOM 1533 O LYS A 100 13.093 -0.170 10.530 1.00 0.00 O ATOM 1534 CB LYS A 100 13.358 0.610 13.130 1.00 0.00 C ATOM 1535 CG LYS A 100 13.086 0.792 14.614 1.00 0.00 C ATOM 1536 CD LYS A 100 12.949 2.260 14.980 1.00 0.00 C ATOM 1537 CE LYS A 100 12.926 2.458 16.488 1.00 0.00 C ATOM 1538 NZ LYS A 100 14.223 2.083 17.117 1.00 0.00 N ATOM 0 H LYS A 100 10.813 2.431 13.133 1.00 0.00 H new ATOM 0 HA LYS A 100 12.756 2.372 12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.315 -0.452 12.889 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.371 0.946 12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.173 0.262 14.885 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.897 0.346 15.191 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.778 2.822 14.551 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.033 2.661 14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.701 3.500 16.714 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.126 1.858 16.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.291 2.518 18.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.278 1.049 17.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.007 2.420 16.523 1.00 0.00 H new ATOM 1552 N ALA A 101 11.198 0.979 10.146 1.00 0.00 N ATOM 1553 CA ALA A 101 10.965 0.373 8.841 1.00 0.00 C ATOM 1554 C ALA A 101 10.954 1.429 7.740 1.00 0.00 C ATOM 1555 O ALA A 101 10.863 2.625 8.016 1.00 0.00 O ATOM 1556 CB ALA A 101 9.656 -0.402 8.845 1.00 0.00 C ATOM 0 H ALA A 101 10.492 1.659 10.427 1.00 0.00 H new ATOM 0 HA ALA A 101 11.783 -0.318 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.495 -0.849 7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.701 -1.188 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.833 0.275 9.075 1.00 0.00 H new ATOM 1562 N GLN A 102 11.048 0.978 6.494 1.00 0.00 N ATOM 1563 CA GLN A 102 11.050 1.885 5.352 1.00 0.00 C ATOM 1564 C GLN A 102 9.789 1.707 4.513 1.00 0.00 C ATOM 1565 O GLN A 102 9.455 0.595 4.106 1.00 0.00 O ATOM 1566 CB GLN A 102 12.290 1.648 4.488 1.00 0.00 C ATOM 1567 CG GLN A 102 12.315 0.282 3.822 1.00 0.00 C ATOM 1568 CD GLN A 102 13.623 0.004 3.108 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.688 -0.024 3.727 1.00 0.00 O ATOM 1570 NE2 GLN A 102 13.551 -0.203 1.798 1.00 0.00 N ATOM 0 H GLN A 102 11.124 -0.009 6.249 1.00 0.00 H new ATOM 0 HA GLN A 102 11.070 2.907 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.340 2.419 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 102 13.180 1.758 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.146 -0.488 4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.494 0.215 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.648 -0.171 1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.399 -0.394 1.265 1.00 0.00 H new ATOM 1579 N ALA A 103 9.093 2.810 4.259 1.00 0.00 N ATOM 1580 CA ALA A 103 7.870 2.775 3.467 1.00 0.00 C ATOM 1581 C ALA A 103 8.117 2.144 2.101 1.00 0.00 C ATOM 1582 O ALA A 103 9.075 2.492 1.411 1.00 0.00 O ATOM 1583 CB ALA A 103 7.304 4.179 3.307 1.00 0.00 C ATOM 0 H ALA A 103 9.355 3.738 4.590 1.00 0.00 H new ATOM 0 HA ALA A 103 7.142 2.159 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.391 4.138 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.080 4.595 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.036 4.811 2.804 1.00 0.00 H new ATOM 1589 N ALA A 104 7.249 1.215 1.717 1.00 0.00 N ATOM 1590 CA ALA A 104 7.373 0.536 0.433 1.00 0.00 C ATOM 1591 C ALA A 104 7.598 1.536 -0.696 1.00 0.00 C ATOM 1592 O ALA A 104 7.072 2.649 -0.686 1.00 0.00 O ATOM 1593 CB ALA A 104 6.135 -0.304 0.158 1.00 0.00 C ATOM 0 H ALA A 104 6.451 0.915 2.277 1.00 0.00 H new ATOM 0 HA ALA A 104 8.241 -0.122 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.242 -0.805 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.019 -1.050 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.256 0.340 0.136 1.00 0.00 H new ATOM 1599 N PRO A 105 8.398 1.132 -1.694 1.00 0.00 N ATOM 1600 CA PRO A 105 8.710 1.978 -2.850 1.00 0.00 C ATOM 1601 C PRO A 105 7.507 2.179 -3.765 1.00 0.00 C ATOM 1602 O PRO A 105 6.621 1.327 -3.838 1.00 0.00 O ATOM 1603 CB PRO A 105 9.809 1.197 -3.575 1.00 0.00 C ATOM 1604 CG PRO A 105 9.589 -0.222 -3.178 1.00 0.00 C ATOM 1605 CD PRO A 105 9.058 -0.182 -1.772 1.00 0.00 C ATOM 0 HA PRO A 105 9.008 2.983 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 105 9.737 1.322 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 105 10.800 1.542 -3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.881 -0.709 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.518 -0.790 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.357 -0.995 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.858 -0.274 -1.037 1.00 0.00 H new ATOM 1613 N LYS A 106 7.481 3.310 -4.461 1.00 0.00 N ATOM 1614 CA LYS A 106 6.387 3.622 -5.373 1.00 0.00 C ATOM 1615 C LYS A 106 6.522 2.838 -6.674 1.00 0.00 C ATOM 1616 O LYS A 106 5.565 2.714 -7.438 1.00 0.00 O ATOM 1617 CB LYS A 106 6.357 5.123 -5.671 1.00 0.00 C ATOM 1618 CG LYS A 106 7.599 5.627 -6.384 1.00 0.00 C ATOM 1619 CD LYS A 106 7.465 7.090 -6.773 1.00 0.00 C ATOM 1620 CE LYS A 106 8.824 7.731 -7.006 1.00 0.00 C ATOM 1621 NZ LYS A 106 9.435 7.285 -8.288 1.00 0.00 N ATOM 0 H LYS A 106 8.205 4.026 -4.411 1.00 0.00 H new ATOM 0 HA LYS A 106 5.453 3.334 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.482 5.346 -6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.240 5.668 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.467 5.500 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.776 5.027 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.862 7.173 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.937 7.630 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.718 8.816 -7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.490 7.481 -6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.360 7.744 -8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.560 6.253 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.812 7.546 -9.079 1.00 0.00 H new ATOM 1635 N SER A 107 7.716 2.308 -6.919 1.00 0.00 N ATOM 1636 CA SER A 107 7.977 1.537 -8.129 1.00 0.00 C ATOM 1637 C SER A 107 7.079 0.305 -8.192 1.00 0.00 C ATOM 1638 O SER A 107 6.732 -0.170 -9.275 1.00 0.00 O ATOM 1639 CB SER A 107 9.446 1.114 -8.183 1.00 0.00 C ATOM 1640 OG SER A 107 9.779 0.286 -7.082 1.00 0.00 O ATOM 0 H SER A 107 8.518 2.398 -6.296 1.00 0.00 H new ATOM 0 HA SER A 107 7.757 2.171 -8.988 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.640 0.582 -9.114 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.083 1.999 -8.182 1.00 0.00 H new ATOM 0 HG SER A 107 10.723 0.028 -7.140 1.00 0.00 H new ATOM 1646 N LEU A 108 6.706 -0.207 -7.025 1.00 0.00 N ATOM 1647 CA LEU A 108 5.847 -1.384 -6.946 1.00 0.00 C ATOM 1648 C LEU A 108 4.489 -1.111 -7.584 1.00 0.00 C ATOM 1649 O LEU A 108 3.811 -2.031 -8.043 1.00 0.00 O ATOM 1650 CB LEU A 108 5.663 -1.808 -5.488 1.00 0.00 C ATOM 1651 CG LEU A 108 6.859 -2.501 -4.834 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.762 -2.416 -3.318 1.00 0.00 C ATOM 1653 CD2 LEU A 108 6.947 -3.951 -5.284 1.00 0.00 C ATOM 0 H LEU A 108 6.984 0.174 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 108 6.329 -2.193 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.416 -0.923 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.805 -2.478 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 108 7.768 -1.988 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.622 -2.914 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.749 -1.370 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.846 -2.903 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.804 -4.428 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.035 -4.476 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.065 -3.989 -6.367 1.00 0.00 H new ATOM 1665 N PHE A 109 4.098 0.158 -7.610 1.00 0.00 N ATOM 1666 CA PHE A 109 2.820 0.553 -8.193 1.00 0.00 C ATOM 1667 C PHE A 109 3.030 1.492 -9.377 1.00 0.00 C ATOM 1668 O PHE A 109 2.571 2.633 -9.365 1.00 0.00 O ATOM 1669 CB PHE A 109 1.942 1.231 -7.139 1.00 0.00 C ATOM 1670 CG PHE A 109 2.151 0.696 -5.751 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.316 0.975 -5.055 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.182 -0.085 -5.142 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.511 0.483 -3.778 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.370 -0.579 -3.865 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.536 -0.294 -3.182 1.00 0.00 C ATOM 0 H PHE A 109 4.647 0.931 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 109 2.318 -0.346 -8.550 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.146 2.302 -7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.895 1.105 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.080 1.584 -5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.268 -0.311 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.424 0.706 -3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.607 -1.187 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.686 -0.678 -2.184 1.00 0.00 H new ATOM 1685 N GLU A 110 3.727 1.002 -10.397 1.00 0.00 N ATOM 1686 CA GLU A 110 3.998 1.797 -11.589 1.00 0.00 C ATOM 1687 C GLU A 110 2.894 1.618 -12.626 1.00 0.00 C ATOM 1688 O GLU A 110 2.923 2.233 -13.691 1.00 0.00 O ATOM 1689 CB GLU A 110 5.349 1.407 -12.193 1.00 0.00 C ATOM 1690 CG GLU A 110 5.735 2.236 -13.407 1.00 0.00 C ATOM 1691 CD GLU A 110 7.168 1.999 -13.843 1.00 0.00 C ATOM 1692 OE1 GLU A 110 7.992 1.613 -12.987 1.00 0.00 O ATOM 1693 OE2 GLU A 110 7.466 2.200 -15.039 1.00 0.00 O ATOM 0 H GLU A 110 4.114 0.059 -10.422 1.00 0.00 H new ATOM 0 HA GLU A 110 4.029 2.846 -11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.122 1.512 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.321 0.355 -12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.064 1.999 -14.233 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.599 3.293 -13.179 1.00 0.00 H new ATOM 1700 N ASN A 111 1.922 0.769 -12.307 1.00 0.00 N ATOM 1701 CA ASN A 111 0.808 0.507 -13.211 1.00 0.00 C ATOM 1702 C ASN A 111 -0.512 0.956 -12.592 1.00 0.00 C ATOM 1703 O ASN A 111 -1.429 0.154 -12.416 1.00 0.00 O ATOM 1704 CB ASN A 111 0.744 -0.982 -13.555 1.00 0.00 C ATOM 1705 CG ASN A 111 2.038 -1.493 -14.158 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.945 -0.716 -14.460 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.129 -2.806 -14.338 1.00 0.00 N ATOM 0 H ASN A 111 1.883 0.251 -11.429 1.00 0.00 H new ATOM 0 HA ASN A 111 0.972 1.077 -14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.517 -1.551 -12.653 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.073 -1.155 -14.255 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.975 -3.208 -14.741 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.353 -3.412 -14.073 1.00 0.00 H new