USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 366 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 24 GLN : amide:sc= -0.438 X(o=-1.1,f=-0.65) USER MOD Set 1.2: A 54 SER OG : rot -155:sc= -0.67 USER MOD Set 2.1: A 26 CYS SG : rot 163:sc= 0.174 USER MOD Set 2.2: A 28 HIS : no HE2:sc= -0.541 X(o=0.74,f=0.64) USER MOD Set 2.3: A 45 CYS SG : rot -42:sc= -2.5! USER MOD Set 2.4: A 48 CYS SG : rot 79:sc= 2.07 USER MOD Set 2.5: A 50 THR OG1 : rot 110:sc= 1.54! USER MOD Set 3.1: A 41 ASN : amide:sc= -1.76! K(o=-3.8!,f=0.39) USER MOD Set 3.2: A 42 ASN : amide:sc= -2.04! K(o=-3.8!,f=0) USER MOD Set 4.1: A 11 CYS SG : rot 159:sc= -2.6! USER MOD Set 4.2: A 14 CYS SG : rot 141:sc= 0.109 USER MOD Set 4.3: A 31 CYS SG : rot 180:sc= -0.253 USER MOD Set 4.4: A 34 CYS SG : rot 141:sc= 0.0133 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 1.03 (180deg=0.996) USER MOD Single : A 30 SER OG : rot -76:sc= 0.319 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 0.908 (180deg=0.709) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 38 HIS : no HE2:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 1.02 (180deg=0.721) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 3.106 -9.039 -12.106 1.00 0.00 N ATOM 130 CA LEU A 10 2.816 -9.341 -10.708 1.00 0.00 C ATOM 131 C LEU A 10 1.304 -9.236 -10.458 1.00 0.00 C ATOM 132 O LEU A 10 0.609 -8.433 -11.088 1.00 0.00 O ATOM 133 CB LEU A 10 3.610 -8.371 -9.788 1.00 0.00 C ATOM 134 CG LEU A 10 5.164 -8.512 -9.876 1.00 0.00 C ATOM 135 CD1 LEU A 10 5.885 -7.374 -9.118 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.632 -9.910 -9.373 1.00 0.00 C ATOM 0 HA LEU A 10 3.128 -10.360 -10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.337 -7.347 -10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.302 -8.537 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 10 5.439 -8.426 -10.927 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.964 -7.507 -9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.603 -6.414 -9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.598 -7.398 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.717 -9.978 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.329 -10.043 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.177 -10.688 -9.986 1.00 0.00 H new ATOM 148 N CYS A 11 0.808 -10.093 -9.566 1.00 0.00 N ATOM 149 CA CYS A 11 -0.577 -10.052 -9.090 1.00 0.00 C ATOM 150 C CYS A 11 -0.841 -8.675 -8.433 1.00 0.00 C ATOM 151 O CYS A 11 -0.175 -8.360 -7.455 1.00 0.00 O ATOM 152 CB CYS A 11 -0.792 -11.190 -8.071 1.00 0.00 C ATOM 153 SG CYS A 11 -2.491 -11.343 -7.436 1.00 0.00 S ATOM 0 H CYS A 11 1.360 -10.842 -9.149 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.271 -10.187 -9.920 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.508 -12.133 -8.537 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.118 -11.035 -7.229 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.672 -12.541 -6.965 1.00 0.00 H new ATOM 158 N PRO A 12 -1.795 -7.832 -8.953 1.00 0.00 N ATOM 159 CA PRO A 12 -2.054 -6.449 -8.413 1.00 0.00 C ATOM 160 C PRO A 12 -2.496 -6.456 -6.927 1.00 0.00 C ATOM 161 O PRO A 12 -2.441 -5.439 -6.241 1.00 0.00 O ATOM 162 CB PRO A 12 -3.182 -5.911 -9.344 1.00 0.00 C ATOM 163 CG PRO A 12 -3.823 -7.140 -9.918 1.00 0.00 C ATOM 164 CD PRO A 12 -2.691 -8.127 -10.104 1.00 0.00 C ATOM 0 HA PRO A 12 -1.157 -5.830 -8.416 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.903 -5.312 -8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.776 -5.273 -10.129 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.585 -7.537 -9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.315 -6.922 -10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.047 -9.157 -10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.183 -7.983 -11.058 1.00 0.00 H new ATOM 172 N ILE A 13 -2.928 -7.640 -6.468 1.00 0.00 N ATOM 173 CA ILE A 13 -3.394 -7.891 -5.100 1.00 0.00 C ATOM 174 C ILE A 13 -2.221 -8.241 -4.153 1.00 0.00 C ATOM 175 O ILE A 13 -2.116 -7.703 -3.053 1.00 0.00 O ATOM 176 CB ILE A 13 -4.445 -9.063 -5.136 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.609 -8.716 -6.134 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.989 -9.400 -3.721 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.598 -9.837 -6.393 1.00 0.00 C ATOM 0 H ILE A 13 -2.963 -8.472 -7.057 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.857 -6.984 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.938 -9.959 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.154 -7.856 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.171 -8.413 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.711 -10.214 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.164 -9.703 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.475 -8.520 -3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.360 -9.495 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.074 -10.694 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.072 -10.128 -5.455 1.00 0.00 H new ATOM 191 N CYS A 14 -1.329 -9.143 -4.611 1.00 0.00 N ATOM 192 CA CYS A 14 -0.271 -9.743 -3.763 1.00 0.00 C ATOM 193 C CYS A 14 1.047 -8.944 -3.850 1.00 0.00 C ATOM 194 O CYS A 14 1.757 -8.804 -2.852 1.00 0.00 O ATOM 195 CB CYS A 14 -0.039 -11.210 -4.180 1.00 0.00 C ATOM 196 SG CYS A 14 -1.443 -12.324 -3.854 1.00 0.00 S ATOM 0 H CYS A 14 -1.319 -9.477 -5.575 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.606 -9.710 -2.726 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.191 -11.239 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.838 -11.589 -3.654 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.570 -13.162 -4.840 1.00 0.00 H new ATOM 201 N TYR A 15 1.356 -8.462 -5.072 1.00 0.00 N ATOM 202 CA TYR A 15 2.558 -7.656 -5.422 1.00 0.00 C ATOM 203 C TYR A 15 3.861 -8.505 -5.487 1.00 0.00 C ATOM 204 O TYR A 15 4.639 -8.352 -6.412 1.00 0.00 O ATOM 205 CB TYR A 15 2.755 -6.409 -4.497 1.00 0.00 C ATOM 206 CG TYR A 15 1.611 -5.374 -4.555 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.589 -4.370 -5.534 1.00 0.00 C ATOM 208 CD2 TYR A 15 0.568 -5.388 -3.622 1.00 0.00 C ATOM 209 CE1 TYR A 15 0.566 -3.434 -5.578 1.00 0.00 C ATOM 210 CE2 TYR A 15 -0.448 -4.454 -3.665 1.00 0.00 C ATOM 211 CZ TYR A 15 -0.442 -3.477 -4.640 1.00 0.00 C ATOM 212 OH TYR A 15 -1.459 -2.543 -4.679 1.00 0.00 O ATOM 0 H TYR A 15 0.754 -8.627 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 15 2.358 -7.284 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.865 -6.751 -3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.687 -5.915 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.382 -4.325 -6.266 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.558 -6.145 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.560 -2.674 -6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.245 -4.488 -2.937 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.089 -2.715 -3.948 1.00 0.00 H new ATOM 222 N ALA A 16 4.087 -9.389 -4.511 1.00 0.00 N ATOM 223 CA ALA A 16 5.333 -10.186 -4.408 1.00 0.00 C ATOM 224 C ALA A 16 5.372 -11.367 -5.413 1.00 0.00 C ATOM 225 O ALA A 16 6.445 -11.748 -5.891 1.00 0.00 O ATOM 226 CB ALA A 16 5.493 -10.692 -2.972 1.00 0.00 C ATOM 0 H ALA A 16 3.417 -9.579 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 16 6.168 -9.535 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.408 -11.279 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.546 -9.843 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.639 -11.316 -2.709 1.00 0.00 H new ATOM 232 N HIS A 17 4.192 -11.939 -5.715 1.00 0.00 N ATOM 233 CA HIS A 17 4.051 -13.135 -6.577 1.00 0.00 C ATOM 234 C HIS A 17 3.338 -12.743 -7.892 1.00 0.00 C ATOM 235 O HIS A 17 2.555 -11.784 -7.891 1.00 0.00 O ATOM 236 CB HIS A 17 3.256 -14.246 -5.826 1.00 0.00 C ATOM 237 CG HIS A 17 4.002 -14.933 -4.706 1.00 0.00 C ATOM 238 ND1 HIS A 17 4.154 -16.300 -4.634 1.00 0.00 N ATOM 239 CD2 HIS A 17 4.605 -14.438 -3.602 1.00 0.00 C ATOM 240 CE1 HIS A 17 4.818 -16.613 -3.542 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.106 -15.500 -2.898 1.00 0.00 N ATOM 0 H HIS A 17 3.301 -11.584 -5.367 1.00 0.00 H new ATOM 0 HA HIS A 17 5.039 -13.528 -6.818 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.347 -13.805 -5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.947 -15.000 -6.550 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.678 -13.396 -3.326 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.082 -17.612 -3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.619 -15.440 -2.018 1.00 0.00 H new ATOM 250 N PRO A 18 3.576 -13.485 -9.031 1.00 0.00 N ATOM 251 CA PRO A 18 3.037 -13.119 -10.365 1.00 0.00 C ATOM 252 C PRO A 18 1.550 -13.503 -10.568 1.00 0.00 C ATOM 253 O PRO A 18 0.835 -13.862 -9.617 1.00 0.00 O ATOM 254 CB PRO A 18 3.972 -13.900 -11.317 1.00 0.00 C ATOM 255 CG PRO A 18 4.291 -15.155 -10.565 1.00 0.00 C ATOM 256 CD PRO A 18 4.397 -14.734 -9.112 1.00 0.00 C ATOM 0 HA PRO A 18 3.028 -12.041 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.483 -14.117 -12.267 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.874 -13.332 -11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.511 -15.904 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.223 -15.597 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.014 -15.506 -8.445 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.432 -14.549 -8.825 1.00 0.00 H new ATOM 264 N ILE A 19 1.098 -13.358 -11.822 1.00 0.00 N ATOM 265 CA ILE A 19 -0.258 -13.723 -12.264 1.00 0.00 C ATOM 266 C ILE A 19 -0.279 -15.190 -12.744 1.00 0.00 C ATOM 267 O ILE A 19 0.683 -15.674 -13.346 1.00 0.00 O ATOM 268 CB ILE A 19 -0.732 -12.748 -13.411 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.866 -11.282 -12.870 1.00 0.00 C ATOM 270 CG2 ILE A 19 -2.056 -13.219 -14.075 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.126 -10.224 -13.929 1.00 0.00 C ATOM 0 H ILE A 19 1.674 -12.977 -12.572 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.948 -13.627 -11.426 1.00 0.00 H new ATOM 0 HB ILE A 19 0.034 -12.765 -14.186 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.677 -11.253 -12.143 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.049 -11.023 -12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.341 -12.516 -14.858 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.913 -14.208 -14.510 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.844 -13.264 -13.323 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.203 -9.246 -13.455 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.304 -10.217 -14.645 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.058 -10.450 -14.448 1.00 0.00 H new ATOM 283 N SER A 20 -1.397 -15.882 -12.450 1.00 0.00 N ATOM 284 CA SER A 20 -1.619 -17.292 -12.824 1.00 0.00 C ATOM 285 C SER A 20 -3.092 -17.528 -13.230 1.00 0.00 C ATOM 286 O SER A 20 -3.536 -18.679 -13.346 1.00 0.00 O ATOM 287 CB SER A 20 -1.224 -18.204 -11.635 1.00 0.00 C ATOM 288 OG SER A 20 0.105 -17.949 -11.204 1.00 0.00 O ATOM 0 H SER A 20 -2.180 -15.473 -11.940 1.00 0.00 H new ATOM 0 HA SER A 20 -0.997 -17.536 -13.685 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.914 -18.043 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.318 -19.249 -11.930 1.00 0.00 H new ATOM 0 HG SER A 20 0.324 -18.538 -10.452 1.00 0.00 H new ATOM 294 N ALA A 21 -3.838 -16.423 -13.453 1.00 0.00 N ATOM 295 CA ALA A 21 -5.283 -16.457 -13.756 1.00 0.00 C ATOM 296 C ALA A 21 -5.713 -15.196 -14.525 1.00 0.00 C ATOM 297 O ALA A 21 -5.311 -14.090 -14.175 1.00 0.00 O ATOM 298 CB ALA A 21 -6.096 -16.584 -12.455 1.00 0.00 C ATOM 0 H ALA A 21 -3.451 -15.479 -13.427 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.478 -17.326 -14.385 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.160 -16.608 -12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.818 -17.504 -11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.887 -15.730 -11.810 1.00 0.00 H new ATOM 304 N VAL A 22 -6.535 -15.396 -15.563 1.00 0.00 N ATOM 305 CA VAL A 22 -7.189 -14.327 -16.326 1.00 0.00 C ATOM 306 C VAL A 22 -8.709 -14.541 -16.258 1.00 0.00 C ATOM 307 O VAL A 22 -9.213 -15.640 -16.532 1.00 0.00 O ATOM 308 CB VAL A 22 -6.685 -14.263 -17.827 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.728 -15.649 -18.525 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.477 -13.199 -18.634 1.00 0.00 C ATOM 0 H VAL A 22 -6.769 -16.329 -15.903 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.927 -13.367 -15.882 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.638 -13.960 -17.800 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.373 -15.551 -19.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.089 -16.348 -17.985 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.752 -16.022 -18.530 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.112 -13.175 -19.661 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.537 -13.455 -18.632 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.339 -12.219 -18.177 1.00 0.00 H new ATOM 320 N PHE A 23 -9.427 -13.486 -15.845 1.00 0.00 N ATOM 321 CA PHE A 23 -10.887 -13.513 -15.682 1.00 0.00 C ATOM 322 C PHE A 23 -11.520 -13.021 -16.983 1.00 0.00 C ATOM 323 O PHE A 23 -11.714 -11.811 -17.197 1.00 0.00 O ATOM 324 CB PHE A 23 -11.323 -12.658 -14.448 1.00 0.00 C ATOM 325 CG PHE A 23 -10.436 -12.906 -13.228 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.163 -14.204 -12.808 1.00 0.00 C ATOM 327 CD2 PHE A 23 -9.840 -11.850 -12.537 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.322 -14.445 -11.753 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.003 -12.097 -11.470 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.745 -13.392 -11.081 1.00 0.00 C ATOM 0 H PHE A 23 -9.008 -12.585 -15.614 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.231 -14.528 -15.484 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.288 -11.601 -14.711 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.358 -12.890 -14.195 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.622 -15.036 -13.322 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.036 -10.832 -12.840 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.112 -15.460 -11.449 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.549 -11.274 -10.939 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.088 -13.582 -10.246 1.00 0.00 H new ATOM 340 N GLN A 24 -11.745 -13.987 -17.878 1.00 0.00 N ATOM 341 CA GLN A 24 -12.293 -13.746 -19.211 1.00 0.00 C ATOM 342 C GLN A 24 -13.784 -13.368 -19.158 1.00 0.00 C ATOM 343 O GLN A 24 -14.498 -13.765 -18.222 1.00 0.00 O ATOM 344 CB GLN A 24 -12.098 -14.998 -20.106 1.00 0.00 C ATOM 345 CG GLN A 24 -10.651 -15.252 -20.553 1.00 0.00 C ATOM 346 CD GLN A 24 -10.487 -16.459 -21.491 1.00 0.00 C ATOM 347 OE1 GLN A 24 -9.619 -16.473 -22.368 1.00 0.00 O ATOM 348 NE2 GLN A 24 -11.306 -17.491 -21.309 1.00 0.00 N ATOM 0 H GLN A 24 -11.548 -14.970 -17.692 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.750 -12.904 -19.640 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.455 -15.874 -19.564 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.724 -14.895 -20.992 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.276 -14.361 -21.056 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.031 -15.405 -19.670 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.016 -17.456 -20.577 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.224 -18.318 -21.901 1.00 0.00 H new ATOM 357 N PRO A 25 -14.288 -12.580 -20.166 1.00 0.00 N ATOM 358 CA PRO A 25 -13.484 -11.884 -21.216 1.00 0.00 C ATOM 359 C PRO A 25 -13.108 -10.437 -20.816 1.00 0.00 C ATOM 360 O PRO A 25 -12.907 -9.582 -21.684 1.00 0.00 O ATOM 361 CB PRO A 25 -14.441 -11.923 -22.453 1.00 0.00 C ATOM 362 CG PRO A 25 -15.748 -12.491 -21.941 1.00 0.00 C ATOM 363 CD PRO A 25 -15.709 -12.380 -20.435 1.00 0.00 C ATOM 0 HA PRO A 25 -12.519 -12.357 -21.397 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.584 -10.926 -22.869 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.029 -12.544 -23.248 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.596 -11.939 -22.348 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.866 -13.530 -22.250 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.060 -11.409 -20.086 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.328 -13.135 -19.952 1.00 0.00 H new ATOM 371 N CYS A 26 -12.980 -10.193 -19.497 1.00 0.00 N ATOM 372 CA CYS A 26 -12.710 -8.850 -18.944 1.00 0.00 C ATOM 373 C CYS A 26 -11.231 -8.455 -19.114 1.00 0.00 C ATOM 374 O CYS A 26 -10.918 -7.302 -19.426 1.00 0.00 O ATOM 375 CB CYS A 26 -13.107 -8.781 -17.456 1.00 0.00 C ATOM 376 SG CYS A 26 -12.816 -7.141 -16.735 1.00 0.00 S ATOM 0 H CYS A 26 -13.061 -10.920 -18.786 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.317 -8.140 -19.505 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.161 -9.038 -17.352 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.541 -9.526 -16.897 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.487 -7.029 -15.628 1.00 0.00 H new ATOM 381 N GLY A 27 -10.329 -9.426 -18.897 1.00 0.00 N ATOM 382 CA GLY A 27 -8.886 -9.194 -19.041 1.00 0.00 C ATOM 383 C GLY A 27 -8.188 -8.768 -17.759 1.00 0.00 C ATOM 384 O GLY A 27 -6.962 -8.625 -17.756 1.00 0.00 O ATOM 0 H GLY A 27 -10.575 -10.377 -18.622 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.418 -10.107 -19.409 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.727 -8.427 -19.799 1.00 0.00 H new ATOM 388 N HIS A 28 -8.966 -8.521 -16.676 1.00 0.00 N ATOM 389 CA HIS A 28 -8.399 -8.375 -15.316 1.00 0.00 C ATOM 390 C HIS A 28 -7.786 -9.709 -14.894 1.00 0.00 C ATOM 391 O HIS A 28 -8.384 -10.771 -15.112 1.00 0.00 O ATOM 392 CB HIS A 28 -9.452 -7.915 -14.268 1.00 0.00 C ATOM 393 CG HIS A 28 -9.698 -6.425 -14.210 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.950 -5.936 -13.965 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.824 -5.392 -14.314 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.812 -4.617 -13.918 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.542 -4.247 -14.121 1.00 0.00 N ATOM 0 H HIS A 28 -9.980 -8.420 -16.719 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.639 -7.595 -15.352 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.397 -8.414 -14.483 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.131 -8.252 -13.282 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -11.809 -6.472 -13.844 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.765 -5.462 -14.511 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.624 -3.928 -13.738 1.00 0.00 H new ATOM 405 N LYS A 29 -6.586 -9.642 -14.315 1.00 0.00 N ATOM 406 CA LYS A 29 -5.768 -10.819 -14.018 1.00 0.00 C ATOM 407 C LYS A 29 -5.160 -10.715 -12.611 1.00 0.00 C ATOM 408 O LYS A 29 -4.903 -9.616 -12.109 1.00 0.00 O ATOM 409 CB LYS A 29 -4.623 -10.939 -15.057 1.00 0.00 C ATOM 410 CG LYS A 29 -5.064 -10.973 -16.534 1.00 0.00 C ATOM 411 CD LYS A 29 -3.875 -10.936 -17.505 1.00 0.00 C ATOM 412 CE LYS A 29 -4.301 -10.721 -18.967 1.00 0.00 C ATOM 413 NZ LYS A 29 -3.125 -10.495 -19.840 1.00 0.00 N ATOM 0 H LYS A 29 -6.151 -8.762 -14.037 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.407 -11.701 -14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.942 -10.099 -14.919 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.057 -11.846 -14.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.648 -11.875 -16.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.718 -10.124 -16.734 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.196 -10.137 -17.209 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.320 -11.871 -17.428 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.856 -11.591 -19.318 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.974 -9.866 -19.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.446 -10.253 -20.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.554 -9.714 -19.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.548 -11.360 -19.876 1.00 0.00 H new ATOM 427 N SER A 30 -4.926 -11.881 -12.004 1.00 0.00 N ATOM 428 CA SER A 30 -4.204 -12.027 -10.731 1.00 0.00 C ATOM 429 C SER A 30 -3.748 -13.489 -10.597 1.00 0.00 C ATOM 430 O SER A 30 -3.888 -14.268 -11.544 1.00 0.00 O ATOM 431 CB SER A 30 -5.095 -11.599 -9.535 1.00 0.00 C ATOM 432 OG SER A 30 -6.186 -12.474 -9.350 1.00 0.00 O ATOM 0 H SER A 30 -5.239 -12.772 -12.390 1.00 0.00 H new ATOM 0 HA SER A 30 -3.332 -11.373 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.494 -11.572 -8.626 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.466 -10.588 -9.702 1.00 0.00 H new ATOM 0 HG SER A 30 -6.870 -12.291 -10.027 1.00 0.00 H new ATOM 438 N CYS A 31 -3.177 -13.866 -9.447 1.00 0.00 N ATOM 439 CA CYS A 31 -2.825 -15.273 -9.190 1.00 0.00 C ATOM 440 C CYS A 31 -4.107 -16.063 -8.880 1.00 0.00 C ATOM 441 O CYS A 31 -5.041 -15.516 -8.278 1.00 0.00 O ATOM 442 CB CYS A 31 -1.814 -15.386 -8.039 1.00 0.00 C ATOM 443 SG CYS A 31 -2.493 -15.085 -6.374 1.00 0.00 S ATOM 0 H CYS A 31 -2.950 -13.227 -8.685 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.351 -15.693 -10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.375 -16.383 -8.060 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.005 -14.678 -8.217 1.00 0.00 H new ATOM 0 HG CYS A 31 -1.547 -15.210 -5.491 1.00 0.00 H new ATOM 448 N LYS A 32 -4.149 -17.339 -9.296 1.00 0.00 N ATOM 449 CA LYS A 32 -5.364 -18.179 -9.196 1.00 0.00 C ATOM 450 C LYS A 32 -5.731 -18.494 -7.724 1.00 0.00 C ATOM 451 O LYS A 32 -6.880 -18.818 -7.414 1.00 0.00 O ATOM 452 CB LYS A 32 -5.173 -19.469 -10.042 1.00 0.00 C ATOM 453 CG LYS A 32 -6.458 -20.312 -10.242 1.00 0.00 C ATOM 454 CD LYS A 32 -6.278 -21.475 -11.247 1.00 0.00 C ATOM 455 CE LYS A 32 -5.172 -22.467 -10.835 1.00 0.00 C ATOM 456 NZ LYS A 32 -5.111 -23.638 -11.737 1.00 0.00 N ATOM 0 H LYS A 32 -3.350 -17.819 -9.709 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.209 -17.622 -9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.782 -19.190 -11.021 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.418 -20.092 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.771 -20.718 -9.280 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.260 -19.661 -10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.221 -22.012 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.042 -21.065 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.209 -21.957 -10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.351 -22.805 -9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.573 -24.401 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.075 -23.969 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.641 -23.368 -12.625 1.00 0.00 H new ATOM 470 N ALA A 33 -4.743 -18.349 -6.827 1.00 0.00 N ATOM 471 CA ALA A 33 -4.944 -18.424 -5.366 1.00 0.00 C ATOM 472 C ALA A 33 -5.942 -17.343 -4.872 1.00 0.00 C ATOM 473 O ALA A 33 -6.788 -17.616 -4.006 1.00 0.00 O ATOM 474 CB ALA A 33 -3.593 -18.281 -4.658 1.00 0.00 C ATOM 0 H ALA A 33 -3.774 -18.175 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.377 -19.395 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.740 -18.336 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.929 -19.085 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.148 -17.320 -4.915 1.00 0.00 H new ATOM 480 N CYS A 34 -5.838 -16.126 -5.457 1.00 0.00 N ATOM 481 CA CYS A 34 -6.729 -14.982 -5.138 1.00 0.00 C ATOM 482 C CYS A 34 -8.199 -15.294 -5.473 1.00 0.00 C ATOM 483 O CYS A 34 -9.078 -15.066 -4.634 1.00 0.00 O ATOM 484 CB CYS A 34 -6.293 -13.676 -5.867 1.00 0.00 C ATOM 485 SG CYS A 34 -5.060 -12.690 -4.969 1.00 0.00 S ATOM 0 H CYS A 34 -5.135 -15.909 -6.163 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.640 -14.821 -4.064 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.888 -13.938 -6.845 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.175 -13.060 -6.042 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.203 -12.195 -5.812 1.00 0.00 H new ATOM 490 N ILE A 35 -8.461 -15.810 -6.698 1.00 0.00 N ATOM 491 CA ILE A 35 -9.842 -16.014 -7.184 1.00 0.00 C ATOM 492 C ILE A 35 -10.515 -17.186 -6.459 1.00 0.00 C ATOM 493 O ILE A 35 -11.690 -17.103 -6.138 1.00 0.00 O ATOM 494 CB ILE A 35 -9.940 -16.193 -8.750 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.439 -16.209 -9.233 1.00 0.00 C ATOM 496 CG2 ILE A 35 -9.178 -17.449 -9.241 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.233 -14.945 -8.907 1.00 0.00 C ATOM 0 H ILE A 35 -7.738 -16.090 -7.361 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.380 -15.096 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.454 -15.328 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.456 -16.363 -10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.942 -17.064 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.273 -17.532 -10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.125 -17.363 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.600 -18.337 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.252 -15.050 -9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.254 -14.797 -7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.760 -14.086 -9.382 1.00 0.00 H new ATOM 509 N ASN A 36 -9.750 -18.248 -6.153 1.00 0.00 N ATOM 510 CA ASN A 36 -10.270 -19.414 -5.411 1.00 0.00 C ATOM 511 C ASN A 36 -10.690 -18.984 -3.983 1.00 0.00 C ATOM 512 O ASN A 36 -11.736 -19.411 -3.465 1.00 0.00 O ATOM 513 CB ASN A 36 -9.206 -20.546 -5.377 1.00 0.00 C ATOM 514 CG ASN A 36 -9.712 -21.875 -4.790 1.00 0.00 C ATOM 515 OD1 ASN A 36 -10.901 -22.193 -4.861 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.809 -22.671 -4.233 1.00 0.00 N ATOM 0 H ASN A 36 -8.765 -18.325 -6.408 1.00 0.00 H new ATOM 0 HA ASN A 36 -11.152 -19.804 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.849 -20.723 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.351 -20.207 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.092 -23.573 -3.849 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.832 -22.381 -4.188 1.00 0.00 H new ATOM 523 N GLN A 37 -9.885 -18.084 -3.389 1.00 0.00 N ATOM 524 CA GLN A 37 -10.178 -17.446 -2.091 1.00 0.00 C ATOM 525 C GLN A 37 -11.367 -16.461 -2.219 1.00 0.00 C ATOM 526 O GLN A 37 -12.080 -16.208 -1.254 1.00 0.00 O ATOM 527 CB GLN A 37 -8.923 -16.685 -1.584 1.00 0.00 C ATOM 528 CG GLN A 37 -9.067 -16.057 -0.178 1.00 0.00 C ATOM 529 CD GLN A 37 -7.906 -15.132 0.207 1.00 0.00 C ATOM 530 OE1 GLN A 37 -6.779 -15.297 -0.254 1.00 0.00 O ATOM 531 NE2 GLN A 37 -8.169 -14.158 1.062 1.00 0.00 N ATOM 0 H GLN A 37 -9.004 -17.776 -3.800 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.447 -18.225 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.078 -17.373 -1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.682 -15.895 -2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.999 -15.493 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.144 -16.855 0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.114 -14.043 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.427 -13.522 1.354 1.00 0.00 H new ATOM 540 N HIS A 38 -11.554 -15.897 -3.421 1.00 0.00 N ATOM 541 CA HIS A 38 -12.603 -14.897 -3.691 1.00 0.00 C ATOM 542 C HIS A 38 -13.950 -15.569 -3.989 1.00 0.00 C ATOM 543 O HIS A 38 -14.974 -14.971 -3.749 1.00 0.00 O ATOM 544 CB HIS A 38 -12.178 -13.983 -4.866 1.00 0.00 C ATOM 545 CG HIS A 38 -13.068 -12.783 -5.110 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.143 -11.756 -4.197 1.00 0.00 N ATOM 547 CD2 HIS A 38 -13.873 -12.490 -6.158 1.00 0.00 C ATOM 548 CE1 HIS A 38 -13.975 -10.870 -4.712 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.438 -11.272 -5.896 1.00 0.00 N ATOM 0 H HIS A 38 -10.983 -16.120 -4.236 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.729 -14.286 -2.797 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.164 -13.630 -4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.146 -14.581 -5.776 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.655 -11.692 -3.304 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.038 -13.101 -7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.246 -9.939 -4.236 1.00 0.00 H new ATOM 557 N LEU A 39 -13.943 -16.814 -4.501 1.00 0.00 N ATOM 558 CA LEU A 39 -15.192 -17.527 -4.874 1.00 0.00 C ATOM 559 C LEU A 39 -16.020 -17.899 -3.626 1.00 0.00 C ATOM 560 O LEU A 39 -17.249 -17.924 -3.685 1.00 0.00 O ATOM 561 CB LEU A 39 -14.896 -18.775 -5.752 1.00 0.00 C ATOM 562 CG LEU A 39 -14.279 -18.488 -7.167 1.00 0.00 C ATOM 563 CD1 LEU A 39 -14.003 -19.791 -7.949 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.153 -17.502 -7.987 1.00 0.00 C ATOM 0 H LEU A 39 -13.092 -17.351 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.792 -16.843 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.214 -19.426 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.825 -19.328 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.317 -18.004 -7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.577 -19.548 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.301 -20.409 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.936 -20.337 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.692 -17.329 -8.959 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.147 -17.927 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.235 -16.556 -7.451 1.00 0.00 H new ATOM 576 N MET A 40 -15.338 -18.152 -2.481 1.00 0.00 N ATOM 577 CA MET A 40 -16.023 -18.390 -1.180 1.00 0.00 C ATOM 578 C MET A 40 -16.705 -17.091 -0.679 1.00 0.00 C ATOM 579 O MET A 40 -17.607 -17.140 0.153 1.00 0.00 O ATOM 580 CB MET A 40 -15.026 -18.932 -0.114 1.00 0.00 C ATOM 581 CG MET A 40 -14.019 -17.915 0.415 1.00 0.00 C ATOM 582 SD MET A 40 -12.850 -18.629 1.591 1.00 0.00 S ATOM 583 CE MET A 40 -11.953 -17.171 2.139 1.00 0.00 C ATOM 0 H MET A 40 -14.320 -18.197 -2.429 1.00 0.00 H new ATOM 0 HA MET A 40 -16.792 -19.146 -1.336 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.597 -19.324 0.727 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.478 -19.770 -0.546 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.468 -17.487 -0.423 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.555 -17.096 0.895 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.197 -17.462 2.869 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.469 -16.699 1.284 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.648 -16.467 2.597 1.00 0.00 H new ATOM 593 N ASN A 41 -16.231 -15.943 -1.195 1.00 0.00 N ATOM 594 CA ASN A 41 -16.802 -14.611 -0.928 1.00 0.00 C ATOM 595 C ASN A 41 -17.926 -14.312 -1.965 1.00 0.00 C ATOM 596 O ASN A 41 -19.110 -14.412 -1.638 1.00 0.00 O ATOM 597 CB ASN A 41 -15.644 -13.559 -0.950 1.00 0.00 C ATOM 598 CG ASN A 41 -16.096 -12.095 -0.979 1.00 0.00 C ATOM 599 OD1 ASN A 41 -16.406 -11.502 0.054 1.00 0.00 O ATOM 600 ND2 ASN A 41 -16.095 -11.491 -2.165 1.00 0.00 N ATOM 0 H ASN A 41 -15.426 -15.915 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.267 -14.566 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.018 -13.712 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.019 -13.748 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.356 -10.508 -2.237 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.833 -12.011 -3.002 1.00 0.00 H new ATOM 607 N ASN A 42 -17.538 -13.974 -3.222 1.00 0.00 N ATOM 608 CA ASN A 42 -18.468 -13.693 -4.352 1.00 0.00 C ATOM 609 C ASN A 42 -17.812 -14.120 -5.684 1.00 0.00 C ATOM 610 O ASN A 42 -16.588 -14.099 -5.817 1.00 0.00 O ATOM 611 CB ASN A 42 -18.855 -12.178 -4.422 1.00 0.00 C ATOM 612 CG ASN A 42 -19.752 -11.708 -3.270 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.974 -11.789 -3.351 1.00 0.00 O ATOM 614 ND2 ASN A 42 -19.159 -11.203 -2.197 1.00 0.00 N ATOM 0 H ASN A 42 -16.556 -13.887 -3.485 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.380 -14.265 -4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.943 -11.581 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -19.365 -11.987 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -19.720 -10.870 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -18.141 -11.147 -2.155 1.00 0.00 H new ATOM 621 N LYS A 43 -18.641 -14.496 -6.681 1.00 0.00 N ATOM 622 CA LYS A 43 -18.170 -14.928 -8.024 1.00 0.00 C ATOM 623 C LYS A 43 -18.081 -13.715 -8.972 1.00 0.00 C ATOM 624 O LYS A 43 -18.775 -13.652 -10.002 1.00 0.00 O ATOM 625 CB LYS A 43 -19.111 -16.037 -8.623 1.00 0.00 C ATOM 626 CG LYS A 43 -18.947 -17.460 -8.030 1.00 0.00 C ATOM 627 CD LYS A 43 -19.372 -17.574 -6.555 1.00 0.00 C ATOM 628 CE LYS A 43 -19.192 -18.991 -5.994 1.00 0.00 C ATOM 629 NZ LYS A 43 -19.642 -19.077 -4.581 1.00 0.00 N ATOM 0 H LYS A 43 -19.656 -14.510 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.175 -15.360 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.145 -15.723 -8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.938 -16.091 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.536 -18.160 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.904 -17.763 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -18.787 -16.874 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.417 -17.280 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.757 -19.698 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.143 -19.280 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.814 -20.072 -4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.907 -18.686 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.521 -18.534 -4.463 1.00 0.00 H new ATOM 643 N ASP A 44 -17.217 -12.746 -8.621 1.00 0.00 N ATOM 644 CA ASP A 44 -17.009 -11.529 -9.439 1.00 0.00 C ATOM 645 C ASP A 44 -15.505 -11.280 -9.686 1.00 0.00 C ATOM 646 O ASP A 44 -14.641 -11.962 -9.131 1.00 0.00 O ATOM 647 CB ASP A 44 -17.692 -10.287 -8.798 1.00 0.00 C ATOM 648 CG ASP A 44 -16.963 -9.718 -7.564 1.00 0.00 C ATOM 649 OD1 ASP A 44 -17.237 -10.161 -6.435 1.00 0.00 O ATOM 650 OD2 ASP A 44 -16.101 -8.826 -7.727 1.00 0.00 O ATOM 0 H ASP A 44 -16.648 -12.779 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.483 -11.695 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.770 -9.503 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -18.709 -10.556 -8.511 1.00 0.00 H new ATOM 655 N CYS A 45 -15.223 -10.265 -10.514 1.00 0.00 N ATOM 656 CA CYS A 45 -13.871 -9.944 -11.020 1.00 0.00 C ATOM 657 C CYS A 45 -13.230 -8.803 -10.194 1.00 0.00 C ATOM 658 O CYS A 45 -12.660 -7.843 -10.751 1.00 0.00 O ATOM 659 CB CYS A 45 -14.015 -9.588 -12.516 1.00 0.00 C ATOM 660 SG CYS A 45 -12.506 -9.089 -13.401 1.00 0.00 S ATOM 0 H CYS A 45 -15.940 -9.628 -10.861 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.198 -10.795 -10.915 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.438 -10.452 -13.030 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.740 -8.779 -12.602 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.805 -8.294 -12.649 1.00 0.00 H new ATOM 665 N PHE A 46 -13.353 -8.943 -8.852 1.00 0.00 N ATOM 666 CA PHE A 46 -12.696 -8.093 -7.831 1.00 0.00 C ATOM 667 C PHE A 46 -13.043 -6.586 -7.980 1.00 0.00 C ATOM 668 O PHE A 46 -14.031 -6.102 -7.420 1.00 0.00 O ATOM 669 CB PHE A 46 -11.150 -8.309 -7.832 1.00 0.00 C ATOM 670 CG PHE A 46 -10.675 -9.713 -7.438 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.587 -10.730 -8.388 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.295 -9.997 -6.128 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.141 -11.988 -8.035 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.845 -11.257 -5.782 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.767 -12.248 -6.737 1.00 0.00 C ATOM 0 H PHE A 46 -13.931 -9.674 -8.438 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.093 -8.410 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.771 -8.083 -8.829 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.700 -7.588 -7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.871 -10.531 -9.411 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.353 -9.225 -5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.086 -12.769 -8.779 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.554 -11.465 -4.763 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.411 -13.231 -6.465 1.00 0.00 H new ATOM 685 N PHE A 47 -12.247 -5.897 -8.818 1.00 0.00 N ATOM 686 CA PHE A 47 -12.172 -4.426 -8.893 1.00 0.00 C ATOM 687 C PHE A 47 -13.395 -3.834 -9.609 1.00 0.00 C ATOM 688 O PHE A 47 -13.904 -2.783 -9.219 1.00 0.00 O ATOM 689 CB PHE A 47 -10.866 -4.029 -9.638 1.00 0.00 C ATOM 690 CG PHE A 47 -9.597 -4.630 -9.021 1.00 0.00 C ATOM 691 CD1 PHE A 47 -9.016 -4.058 -7.891 1.00 0.00 C ATOM 692 CD2 PHE A 47 -9.003 -5.777 -9.559 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.881 -4.608 -7.322 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.867 -6.322 -8.989 1.00 0.00 C ATOM 695 CZ PHE A 47 -7.309 -5.741 -7.868 1.00 0.00 C ATOM 0 H PHE A 47 -11.622 -6.359 -9.479 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.164 -4.022 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.940 -4.348 -10.678 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.777 -2.943 -9.643 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.457 -3.174 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.438 -6.243 -10.431 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.441 -4.150 -6.448 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.416 -7.203 -9.421 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.426 -6.172 -7.418 1.00 0.00 H new ATOM 705 N CYS A 48 -13.866 -4.541 -10.647 1.00 0.00 N ATOM 706 CA CYS A 48 -14.930 -4.042 -11.550 1.00 0.00 C ATOM 707 C CYS A 48 -16.248 -4.822 -11.354 1.00 0.00 C ATOM 708 O CYS A 48 -17.272 -4.440 -11.919 1.00 0.00 O ATOM 709 CB CYS A 48 -14.474 -4.189 -13.011 1.00 0.00 C ATOM 710 SG CYS A 48 -14.582 -5.901 -13.580 1.00 0.00 S ATOM 0 H CYS A 48 -13.526 -5.472 -10.889 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.110 -2.994 -11.311 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.089 -3.555 -13.649 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.447 -3.838 -13.108 1.00 0.00 H new ATOM 0 HG CYS A 48 -15.815 -6.181 -13.883 1.00 0.00 H new ATOM 715 N LYS A 49 -16.192 -5.932 -10.572 1.00 0.00 N ATOM 716 CA LYS A 49 -17.358 -6.811 -10.268 1.00 0.00 C ATOM 717 C LYS A 49 -17.999 -7.460 -11.529 1.00 0.00 C ATOM 718 O LYS A 49 -19.206 -7.730 -11.538 1.00 0.00 O ATOM 719 CB LYS A 49 -18.447 -6.065 -9.424 1.00 0.00 C ATOM 720 CG LYS A 49 -18.008 -5.621 -8.012 1.00 0.00 C ATOM 721 CD LYS A 49 -19.150 -4.884 -7.267 1.00 0.00 C ATOM 722 CE LYS A 49 -18.727 -4.362 -5.885 1.00 0.00 C ATOM 723 NZ LYS A 49 -19.839 -3.656 -5.203 1.00 0.00 N ATOM 0 H LYS A 49 -15.329 -6.247 -10.129 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.949 -7.626 -9.671 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.770 -5.184 -9.978 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.315 -6.717 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.699 -6.493 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.140 -4.966 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.493 -4.047 -7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.996 -5.561 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.392 -5.196 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.879 -3.686 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.517 -3.318 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.142 -2.846 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.639 -4.309 -5.076 1.00 0.00 H new ATOM 737 N THR A 50 -17.195 -7.725 -12.579 1.00 0.00 N ATOM 738 CA THR A 50 -17.646 -8.544 -13.728 1.00 0.00 C ATOM 739 C THR A 50 -17.893 -9.987 -13.251 1.00 0.00 C ATOM 740 O THR A 50 -17.011 -10.573 -12.617 1.00 0.00 O ATOM 741 CB THR A 50 -16.586 -8.565 -14.882 1.00 0.00 C ATOM 742 OG1 THR A 50 -16.289 -7.237 -15.311 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.039 -9.408 -16.094 1.00 0.00 C ATOM 0 H THR A 50 -16.236 -7.387 -12.657 1.00 0.00 H new ATOM 0 HA THR A 50 -18.562 -8.100 -14.118 1.00 0.00 H new ATOM 0 HB THR A 50 -15.691 -9.033 -14.472 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.382 -6.997 -15.029 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.266 -9.386 -16.862 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.208 -10.437 -15.778 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.964 -8.996 -16.499 1.00 0.00 H new ATOM 751 N THR A 51 -19.083 -10.534 -13.540 1.00 0.00 N ATOM 752 CA THR A 51 -19.425 -11.925 -13.205 1.00 0.00 C ATOM 753 C THR A 51 -18.436 -12.883 -13.900 1.00 0.00 C ATOM 754 O THR A 51 -18.263 -12.797 -15.125 1.00 0.00 O ATOM 755 CB THR A 51 -20.893 -12.272 -13.625 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.769 -11.217 -13.202 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.369 -13.615 -13.015 1.00 0.00 C ATOM 0 H THR A 51 -19.833 -10.027 -14.011 1.00 0.00 H new ATOM 0 HA THR A 51 -19.352 -12.042 -12.124 1.00 0.00 H new ATOM 0 HB THR A 51 -20.916 -12.374 -14.710 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.689 -11.430 -13.465 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.392 -13.816 -13.332 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.718 -14.420 -13.356 1.00 0.00 H new ATOM 0 HG23 THR A 51 -21.332 -13.554 -11.927 1.00 0.00 H new ATOM 765 N ILE A 52 -17.752 -13.733 -13.103 1.00 0.00 N ATOM 766 CA ILE A 52 -16.726 -14.656 -13.621 1.00 0.00 C ATOM 767 C ILE A 52 -17.334 -15.617 -14.673 1.00 0.00 C ATOM 768 O ILE A 52 -18.113 -16.518 -14.327 1.00 0.00 O ATOM 769 CB ILE A 52 -16.039 -15.486 -12.464 1.00 0.00 C ATOM 770 CG1 ILE A 52 -15.327 -14.550 -11.436 1.00 0.00 C ATOM 771 CG2 ILE A 52 -15.036 -16.519 -13.040 1.00 0.00 C ATOM 772 CD1 ILE A 52 -14.124 -13.785 -11.988 1.00 0.00 C ATOM 0 H ILE A 52 -17.895 -13.797 -12.095 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.958 -14.046 -14.096 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.827 -16.026 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.054 -13.831 -11.057 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.999 -15.150 -10.587 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.578 -17.076 -12.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.563 -17.209 -13.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.261 -15.999 -13.604 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.697 -13.163 -11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.373 -14.493 -12.339 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.444 -13.154 -12.817 1.00 0.00 H new ATOM 784 N VAL A 53 -17.012 -15.361 -15.959 1.00 0.00 N ATOM 785 CA VAL A 53 -17.420 -16.226 -17.078 1.00 0.00 C ATOM 786 C VAL A 53 -16.485 -17.450 -17.141 1.00 0.00 C ATOM 787 O VAL A 53 -16.949 -18.588 -17.251 1.00 0.00 O ATOM 788 CB VAL A 53 -17.413 -15.442 -18.445 1.00 0.00 C ATOM 789 CG1 VAL A 53 -17.977 -16.305 -19.601 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.191 -14.104 -18.316 1.00 0.00 C ATOM 0 H VAL A 53 -16.463 -14.550 -16.246 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.443 -16.561 -16.907 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.376 -15.212 -18.689 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -17.956 -15.731 -20.527 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.368 -17.202 -19.716 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.004 -16.591 -19.374 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.173 -13.579 -19.271 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.224 -14.309 -18.034 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.723 -13.483 -17.552 1.00 0.00 H new ATOM 800 N SER A 54 -15.165 -17.190 -17.033 1.00 0.00 N ATOM 801 CA SER A 54 -14.136 -18.243 -17.006 1.00 0.00 C ATOM 802 C SER A 54 -12.818 -17.716 -16.397 1.00 0.00 C ATOM 803 O SER A 54 -12.414 -16.576 -16.659 1.00 0.00 O ATOM 804 CB SER A 54 -13.891 -18.792 -18.435 1.00 0.00 C ATOM 805 OG SER A 54 -13.627 -17.748 -19.351 1.00 0.00 O ATOM 0 H SER A 54 -14.786 -16.245 -16.962 1.00 0.00 H new ATOM 0 HA SER A 54 -14.497 -19.055 -16.375 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.051 -19.486 -18.420 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.764 -19.355 -18.765 1.00 0.00 H new ATOM 0 HG SER A 54 -13.865 -18.039 -20.256 1.00 0.00 H new ATOM 811 N VAL A 55 -12.176 -18.556 -15.557 1.00 0.00 N ATOM 812 CA VAL A 55 -10.818 -18.322 -15.036 1.00 0.00 C ATOM 813 C VAL A 55 -9.855 -19.285 -15.743 1.00 0.00 C ATOM 814 O VAL A 55 -9.897 -20.504 -15.505 1.00 0.00 O ATOM 815 CB VAL A 55 -10.715 -18.539 -13.477 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.271 -18.290 -12.968 1.00 0.00 C ATOM 817 CG2 VAL A 55 -11.727 -17.658 -12.724 1.00 0.00 C ATOM 0 H VAL A 55 -12.593 -19.424 -15.220 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.560 -17.281 -15.232 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.964 -19.580 -13.273 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.233 -18.448 -11.890 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.587 -18.982 -13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.977 -17.265 -13.196 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.632 -17.830 -11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.529 -16.609 -12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.738 -17.911 -13.044 1.00 0.00 H new ATOM 827 N GLU A 56 -9.015 -18.745 -16.627 1.00 0.00 N ATOM 828 CA GLU A 56 -8.011 -19.524 -17.368 1.00 0.00 C ATOM 829 C GLU A 56 -6.622 -19.280 -16.772 1.00 0.00 C ATOM 830 O GLU A 56 -6.345 -18.190 -16.277 1.00 0.00 O ATOM 831 CB GLU A 56 -8.056 -19.136 -18.869 1.00 0.00 C ATOM 832 CG GLU A 56 -9.425 -19.359 -19.541 1.00 0.00 C ATOM 833 CD GLU A 56 -9.866 -20.834 -19.582 1.00 0.00 C ATOM 834 OE1 GLU A 56 -9.498 -21.542 -20.543 1.00 0.00 O ATOM 835 OE2 GLU A 56 -10.591 -21.286 -18.666 1.00 0.00 O ATOM 0 H GLU A 56 -9.009 -17.750 -16.853 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.233 -20.588 -17.283 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.782 -18.086 -18.969 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.303 -19.714 -19.404 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.179 -18.779 -19.009 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.386 -18.973 -20.560 1.00 0.00 H new ATOM 842 N ASP A 57 -5.760 -20.303 -16.814 1.00 0.00 N ATOM 843 CA ASP A 57 -4.375 -20.211 -16.320 1.00 0.00 C ATOM 844 C ASP A 57 -3.572 -19.297 -17.252 1.00 0.00 C ATOM 845 O ASP A 57 -3.132 -19.739 -18.323 1.00 0.00 O ATOM 846 CB ASP A 57 -3.719 -21.619 -16.256 1.00 0.00 C ATOM 847 CG ASP A 57 -4.408 -22.567 -15.267 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.558 -22.979 -15.532 1.00 0.00 O ATOM 849 OD2 ASP A 57 -3.797 -22.927 -14.235 1.00 0.00 O ATOM 0 H ASP A 57 -6.000 -21.220 -17.191 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.382 -19.796 -15.312 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.738 -22.066 -17.250 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.671 -21.511 -15.975 1.00 0.00 H new ATOM 854 N TRP A 58 -3.440 -18.014 -16.873 1.00 0.00 N ATOM 855 CA TRP A 58 -2.718 -17.038 -17.687 1.00 0.00 C ATOM 856 C TRP A 58 -1.202 -17.317 -17.613 1.00 0.00 C ATOM 857 O TRP A 58 -0.575 -17.156 -16.559 1.00 0.00 O ATOM 858 CB TRP A 58 -3.025 -15.574 -17.274 1.00 0.00 C ATOM 859 CG TRP A 58 -2.414 -14.584 -18.240 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.885 -14.246 -19.477 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.189 -13.849 -18.065 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.036 -13.353 -20.077 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.994 -13.086 -19.225 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.245 -13.762 -17.030 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.105 -12.262 -19.388 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.840 -12.936 -17.191 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.003 -12.191 -18.363 1.00 0.00 C ATOM 0 H TRP A 58 -3.826 -17.635 -16.008 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.061 -17.150 -18.716 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.104 -15.425 -17.234 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.640 -15.390 -16.271 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.794 -14.627 -19.918 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.159 -12.952 -21.007 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.370 -14.335 -16.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.247 -11.694 -20.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.576 -12.861 -16.404 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.862 -11.543 -18.459 1.00 0.00 H new