USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 424 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 245 CYS SG : rot -50:sc= -0.412 USER MOD Set 1.2: A 247 HIS : no HE2:sc= -2.99 K(o=-9.4,f=-12!) USER MOD Set 1.3: A 248 CYS SG : rot -75:sc= -0.973! USER MOD Set 1.4: A 250 THR OG1 : rot -56:sc= 1.3 USER MOD Set 1.5: A 270 HIS : no HE2:sc= -4.75! C(o=-9.4!,f=-13!) USER MOD Set 1.6: A 273 CYS SG : rot -168:sc= -1.59 USER MOD Set 2.1: A 232 HIS : no HE2:sc= 0.00114 X(o=-6.9,f=-7.2) USER MOD Set 2.2: A 262 CYS SG : rot -16:sc= -4.43 USER MOD Set 2.3: A 265 CYS SG : rot -54:sc= 0.0108 USER MOD Set 2.4: A 281 CYS SG : rot 133:sc= -2.46! USER MOD Single : A 230 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -2.14! C(o=-2.1!,f=-8.7!) USER MOD Single : A 239 TYR OH : rot -63:sc= 0.0128 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 258 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.34) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl 164:sc= -0.202 (180deg=-0.715) USER MOD Single : A 268 ASN : amide:sc= -1.95 X(o=-1.9,f=-2.1) USER MOD Single : A 271 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 274 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.5!) USER MOD Single : A 275 THR OG1 : rot -63:sc= 1.26 USER MOD Single : A 276 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0431) USER MOD Single : A 279 ASN : amide:sc= -0.0941 X(o=-0.094,f=0) USER MOD Single : A 284 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -2.274 -14.520 -6.568 1.00 0.00 N ATOM 108 CA ASP A 229 -2.696 -13.375 -7.367 1.00 0.00 C ATOM 109 C ASP A 229 -1.541 -12.401 -7.575 1.00 0.00 C ATOM 110 O ASP A 229 -0.564 -12.413 -6.826 1.00 0.00 O ATOM 111 CB ASP A 229 -3.868 -12.659 -6.692 1.00 0.00 C ATOM 112 CG ASP A 229 -5.125 -13.505 -6.665 1.00 0.00 C ATOM 113 OD1 ASP A 229 -5.897 -13.453 -7.646 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.338 -14.220 -5.664 1.00 0.00 O ATOM 0 HA ASP A 229 -3.017 -13.743 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.590 -12.395 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.072 -11.727 -7.218 1.00 0.00 H new ATOM 119 N MET A 230 -1.659 -11.561 -8.598 1.00 0.00 N ATOM 120 CA MET A 230 -0.624 -10.580 -8.904 1.00 0.00 C ATOM 121 C MET A 230 -1.129 -9.162 -8.662 1.00 0.00 C ATOM 122 O MET A 230 -1.794 -8.562 -9.507 1.00 0.00 O ATOM 123 CB MET A 230 -0.163 -10.730 -10.356 1.00 0.00 C ATOM 124 CG MET A 230 0.691 -11.963 -10.599 1.00 0.00 C ATOM 125 SD MET A 230 2.444 -11.663 -10.302 1.00 0.00 S ATOM 126 CE MET A 230 2.777 -12.853 -9.006 1.00 0.00 C ATOM 0 H MET A 230 -2.460 -11.540 -9.229 1.00 0.00 H new ATOM 0 HA MET A 230 0.222 -10.762 -8.241 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.039 -10.771 -11.004 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.404 -9.844 -10.642 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.350 -12.770 -9.951 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.553 -12.299 -11.627 1.00 0.00 H new ATOM 0 HE1 MET A 230 3.825 -12.789 -8.714 1.00 0.00 H new ATOM 0 HE2 MET A 230 2.146 -12.638 -8.144 1.00 0.00 H new ATOM 0 HE3 MET A 230 2.563 -13.858 -9.371 1.00 0.00 H new ATOM 136 N PRO A 231 -0.809 -8.612 -7.482 1.00 0.00 N ATOM 137 CA PRO A 231 -1.221 -7.257 -7.102 1.00 0.00 C ATOM 138 C PRO A 231 -0.499 -6.184 -7.909 1.00 0.00 C ATOM 139 O PRO A 231 0.438 -6.477 -8.651 1.00 0.00 O ATOM 140 CB PRO A 231 -0.831 -7.169 -5.624 1.00 0.00 C ATOM 141 CG PRO A 231 0.278 -8.152 -5.466 1.00 0.00 C ATOM 142 CD PRO A 231 -0.020 -9.270 -6.427 1.00 0.00 C ATOM 0 HA PRO A 231 -2.281 -7.086 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.508 -6.162 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.673 -7.415 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.241 -7.693 -5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.329 -8.521 -4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.893 -9.712 -6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.580 -10.073 -5.948 1.00 0.00 H new ATOM 150 N HIS A 232 -0.941 -4.939 -7.758 1.00 0.00 N ATOM 151 CA HIS A 232 -0.335 -3.821 -8.472 1.00 0.00 C ATOM 152 C HIS A 232 0.903 -3.314 -7.739 1.00 0.00 C ATOM 153 O HIS A 232 0.811 -2.816 -6.617 1.00 0.00 O ATOM 154 CB HIS A 232 -1.345 -2.686 -8.636 1.00 0.00 C ATOM 155 CG HIS A 232 -2.538 -3.059 -9.462 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.466 -3.315 -10.815 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.837 -3.222 -9.118 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.670 -3.617 -11.268 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.519 -3.568 -10.258 1.00 0.00 N ATOM 0 H HIS A 232 -1.716 -4.679 -7.148 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.032 -4.174 -9.458 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.682 -2.366 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.848 -1.832 -9.096 1.00 0.00 H new ATOM 0 HD1 HIS A 232 -1.616 -3.277 -11.378 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.258 -3.102 -8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.917 -3.862 -12.290 1.00 0.00 H new ATOM 167 N ARG A 233 2.060 -3.446 -8.380 1.00 0.00 N ATOM 168 CA ARG A 233 3.316 -3.003 -7.787 1.00 0.00 C ATOM 169 C ARG A 233 3.429 -1.482 -7.824 1.00 0.00 C ATOM 170 O ARG A 233 4.330 -0.931 -8.456 1.00 0.00 O ATOM 171 CB ARG A 233 4.501 -3.631 -8.523 1.00 0.00 C ATOM 172 CG ARG A 233 4.448 -5.149 -8.581 1.00 0.00 C ATOM 173 CD ARG A 233 5.649 -5.721 -9.316 1.00 0.00 C ATOM 174 NE ARG A 233 6.896 -5.491 -8.590 1.00 0.00 N ATOM 175 CZ ARG A 233 7.607 -4.374 -8.687 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.197 -3.389 -9.474 1.00 0.00 N ATOM 177 NH2 ARG A 233 8.731 -4.239 -7.994 1.00 0.00 N ATOM 0 H ARG A 233 2.153 -3.856 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 233 3.331 -3.326 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.536 -3.238 -9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.425 -3.327 -8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.414 -5.552 -7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.531 -5.463 -9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.508 -6.792 -9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 233 5.717 -5.269 -10.306 1.00 0.00 H new ATOM 0 HE ARG A 233 7.239 -6.229 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.333 -3.488 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.745 -2.532 -9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 233 9.049 -4.994 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 233 9.277 -3.380 -8.069 1.00 0.00 H new ATOM 191 N PHE A 234 2.507 -0.809 -7.143 1.00 0.00 N ATOM 192 CA PHE A 234 2.501 0.649 -7.099 1.00 0.00 C ATOM 193 C PHE A 234 3.792 1.179 -6.483 1.00 0.00 C ATOM 194 O PHE A 234 4.266 0.668 -5.468 1.00 0.00 O ATOM 195 CB PHE A 234 1.297 1.151 -6.301 1.00 0.00 C ATOM 196 CG PHE A 234 -0.017 0.926 -6.992 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.238 1.420 -8.267 1.00 0.00 C ATOM 198 CD2 PHE A 234 -1.032 0.220 -6.366 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.446 1.214 -8.906 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.242 0.010 -7.000 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.450 0.509 -8.271 1.00 0.00 C ATOM 0 H PHE A 234 1.754 -1.250 -6.614 1.00 0.00 H new ATOM 0 HA PHE A 234 2.429 1.019 -8.122 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.279 0.651 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.419 2.217 -6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.543 1.973 -8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.876 -0.171 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.605 1.604 -9.901 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.024 -0.544 -6.502 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.396 0.348 -8.767 1.00 0.00 H new ATOM 211 N LYS A 235 4.358 2.209 -7.104 1.00 0.00 N ATOM 212 CA LYS A 235 5.594 2.811 -6.618 1.00 0.00 C ATOM 213 C LYS A 235 5.559 4.328 -6.777 1.00 0.00 C ATOM 214 O LYS A 235 5.205 4.843 -7.838 1.00 0.00 O ATOM 215 CB LYS A 235 6.796 2.236 -7.370 1.00 0.00 C ATOM 216 CG LYS A 235 6.806 0.718 -7.431 1.00 0.00 C ATOM 217 CD LYS A 235 8.203 0.180 -7.688 1.00 0.00 C ATOM 218 CE LYS A 235 9.007 0.078 -6.401 1.00 0.00 C ATOM 219 NZ LYS A 235 8.677 -1.157 -5.637 1.00 0.00 N ATOM 0 H LYS A 235 3.980 2.644 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 235 5.691 2.576 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.802 2.632 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.712 2.578 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.426 0.313 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 235 6.134 0.380 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 235 8.135 -0.803 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 235 8.721 0.832 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 235 10.071 0.086 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 235 8.811 0.952 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.246 -1.189 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 7.667 -1.153 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 8.888 -1.992 -6.220 1.00 0.00 H new ATOM 233 N VAL A 236 5.930 5.038 -5.717 1.00 0.00 N ATOM 234 CA VAL A 236 5.944 6.496 -5.741 1.00 0.00 C ATOM 235 C VAL A 236 6.628 7.019 -6.999 1.00 0.00 C ATOM 236 O VAL A 236 7.737 6.602 -7.334 1.00 0.00 O ATOM 237 CB VAL A 236 6.660 7.071 -4.504 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.748 8.586 -4.593 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.947 6.644 -3.230 1.00 0.00 C ATOM 0 H VAL A 236 6.225 4.628 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 236 4.904 6.822 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 236 7.675 6.674 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.257 8.973 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.307 8.866 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 236 5.744 9.006 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.466 7.059 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.921 7.011 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.943 5.556 -3.163 1.00 0.00 H new ATOM 249 N TYR A 237 5.961 7.935 -7.691 1.00 0.00 N ATOM 250 CA TYR A 237 6.503 8.515 -8.914 1.00 0.00 C ATOM 251 C TYR A 237 6.135 9.991 -9.028 1.00 0.00 C ATOM 252 O TYR A 237 4.962 10.342 -9.143 1.00 0.00 O ATOM 253 CB TYR A 237 5.988 7.753 -10.136 1.00 0.00 C ATOM 254 CG TYR A 237 6.897 7.854 -11.340 1.00 0.00 C ATOM 255 CD1 TYR A 237 7.123 9.074 -11.965 1.00 0.00 C ATOM 256 CD2 TYR A 237 7.531 6.728 -11.852 1.00 0.00 C ATOM 257 CE1 TYR A 237 7.953 9.170 -13.065 1.00 0.00 C ATOM 258 CE2 TYR A 237 8.364 6.815 -12.951 1.00 0.00 C ATOM 259 CZ TYR A 237 8.571 8.038 -13.555 1.00 0.00 C ATOM 260 OH TYR A 237 9.399 8.130 -14.650 1.00 0.00 O ATOM 0 H TYR A 237 5.043 8.292 -7.426 1.00 0.00 H new ATOM 0 HA TYR A 237 7.589 8.433 -8.874 1.00 0.00 H new ATOM 0 HB2 TYR A 237 5.863 6.703 -9.873 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.002 8.134 -10.403 1.00 0.00 H new ATOM 0 HD1 TYR A 237 6.641 9.963 -11.584 1.00 0.00 H new ATOM 0 HD2 TYR A 237 7.370 5.769 -11.383 1.00 0.00 H new ATOM 0 HE1 TYR A 237 8.117 10.126 -13.539 1.00 0.00 H new ATOM 0 HE2 TYR A 237 8.850 5.930 -13.335 1.00 0.00 H new ATOM 0 HH TYR A 237 9.755 7.243 -14.866 1.00 0.00 H new ATOM 270 N ASN A 238 7.148 10.851 -8.995 1.00 0.00 N ATOM 271 CA ASN A 238 6.932 12.290 -9.094 1.00 0.00 C ATOM 272 C ASN A 238 6.932 12.740 -10.552 1.00 0.00 C ATOM 273 O ASN A 238 7.976 12.767 -11.204 1.00 0.00 O ATOM 274 CB ASN A 238 8.012 13.043 -8.316 1.00 0.00 C ATOM 275 CG ASN A 238 7.922 14.545 -8.508 1.00 0.00 C ATOM 276 OD1 ASN A 238 7.196 15.028 -9.377 1.00 0.00 O ATOM 277 ND2 ASN A 238 8.662 15.291 -7.696 1.00 0.00 N ATOM 0 H ASN A 238 8.126 10.577 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 238 5.958 12.517 -8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 238 7.922 12.809 -7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.995 12.697 -8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 238 8.643 16.307 -7.778 1.00 0.00 H new ATOM 0 HD22 ASN A 238 9.249 14.848 -6.990 1.00 0.00 H new ATOM 284 N TYR A 239 5.755 13.094 -11.056 1.00 0.00 N ATOM 285 CA TYR A 239 5.619 13.542 -12.437 1.00 0.00 C ATOM 286 C TYR A 239 4.908 14.891 -12.504 1.00 0.00 C ATOM 287 O TYR A 239 4.428 15.405 -11.494 1.00 0.00 O ATOM 288 CB TYR A 239 4.849 12.506 -13.257 1.00 0.00 C ATOM 289 CG TYR A 239 3.831 11.730 -12.452 1.00 0.00 C ATOM 290 CD1 TYR A 239 3.007 12.372 -11.535 1.00 0.00 C ATOM 291 CD2 TYR A 239 3.695 10.357 -12.606 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.076 11.667 -10.796 1.00 0.00 C ATOM 293 CE2 TYR A 239 2.766 9.644 -11.873 1.00 0.00 C ATOM 294 CZ TYR A 239 1.959 10.304 -10.969 1.00 0.00 C ATOM 295 OH TYR A 239 1.034 9.597 -10.235 1.00 0.00 O ATOM 0 H TYR A 239 4.882 13.079 -10.529 1.00 0.00 H new ATOM 0 HA TYR A 239 6.619 13.657 -12.856 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.341 13.010 -14.079 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.558 11.807 -13.701 1.00 0.00 H new ATOM 0 HD1 TYR A 239 3.096 13.440 -11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 239 4.327 9.837 -13.311 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.444 12.181 -10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 239 2.672 8.576 -12.007 1.00 0.00 H new ATOM 0 HH TYR A 239 1.253 9.663 -9.282 1.00 0.00 H new ATOM 305 N LYS A 240 4.845 15.460 -13.704 1.00 0.00 N ATOM 306 CA LYS A 240 4.193 16.748 -13.907 1.00 0.00 C ATOM 307 C LYS A 240 2.894 16.582 -14.689 1.00 0.00 C ATOM 308 O LYS A 240 1.835 17.037 -14.256 1.00 0.00 O ATOM 309 CB LYS A 240 5.128 17.705 -14.649 1.00 0.00 C ATOM 310 CG LYS A 240 4.770 19.169 -14.465 1.00 0.00 C ATOM 311 CD LYS A 240 3.671 19.599 -15.422 1.00 0.00 C ATOM 312 CE LYS A 240 4.202 19.780 -16.836 1.00 0.00 C ATOM 313 NZ LYS A 240 3.216 20.468 -17.715 1.00 0.00 N ATOM 0 H LYS A 240 5.238 15.049 -14.551 1.00 0.00 H new ATOM 0 HA LYS A 240 3.957 17.166 -12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.149 17.543 -14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.110 17.466 -15.712 1.00 0.00 H new ATOM 0 HG2 LYS A 240 4.447 19.339 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 240 5.655 19.784 -14.626 1.00 0.00 H new ATOM 0 HD2 LYS A 240 2.876 18.853 -15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 240 3.230 20.534 -15.075 1.00 0.00 H new ATOM 0 HE2 LYS A 240 5.126 20.357 -16.806 1.00 0.00 H new ATOM 0 HE3 LYS A 240 4.448 18.806 -17.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 3.615 20.572 -18.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 2.343 19.905 -17.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 3.000 21.408 -17.325 1.00 0.00 H new ATOM 327 N SER A 241 2.981 15.926 -15.841 1.00 0.00 N ATOM 328 CA SER A 241 1.813 15.702 -16.685 1.00 0.00 C ATOM 329 C SER A 241 0.571 15.449 -15.836 1.00 0.00 C ATOM 330 O SER A 241 0.645 14.933 -14.720 1.00 0.00 O ATOM 331 CB SER A 241 2.054 14.518 -17.622 1.00 0.00 C ATOM 332 OG SER A 241 2.114 13.300 -16.900 1.00 0.00 O ATOM 0 H SER A 241 3.849 15.540 -16.212 1.00 0.00 H new ATOM 0 HA SER A 241 1.648 16.600 -17.281 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.255 14.467 -18.362 1.00 0.00 H new ATOM 0 HB3 SER A 241 2.985 14.667 -18.169 1.00 0.00 H new ATOM 0 HG SER A 241 2.267 12.558 -17.522 1.00 0.00 H new ATOM 338 N PRO A 242 -0.599 15.821 -16.375 1.00 0.00 N ATOM 339 CA PRO A 242 -1.881 15.645 -15.685 1.00 0.00 C ATOM 340 C PRO A 242 -2.284 14.178 -15.579 1.00 0.00 C ATOM 341 O PRO A 242 -2.511 13.510 -16.588 1.00 0.00 O ATOM 342 CB PRO A 242 -2.869 16.408 -16.571 1.00 0.00 C ATOM 343 CG PRO A 242 -2.248 16.399 -17.925 1.00 0.00 C ATOM 344 CD PRO A 242 -0.762 16.443 -17.700 1.00 0.00 C ATOM 0 HA PRO A 242 -1.844 16.005 -14.657 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.846 15.926 -16.580 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.019 17.426 -16.211 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.532 15.504 -18.479 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.579 17.256 -18.512 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.222 15.893 -18.471 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.384 17.465 -17.713 1.00 0.00 H new ATOM 352 N THR A 243 -2.373 13.681 -14.349 1.00 0.00 N ATOM 353 CA THR A 243 -2.748 12.293 -14.110 1.00 0.00 C ATOM 354 C THR A 243 -4.000 12.203 -13.245 1.00 0.00 C ATOM 355 O THR A 243 -4.180 12.987 -12.313 1.00 0.00 O ATOM 356 CB THR A 243 -1.609 11.512 -13.428 1.00 0.00 C ATOM 357 OG1 THR A 243 -0.352 11.868 -14.014 1.00 0.00 O ATOM 358 CG2 THR A 243 -1.828 10.012 -13.558 1.00 0.00 C ATOM 0 H THR A 243 -2.190 14.220 -13.502 1.00 0.00 H new ATOM 0 HA THR A 243 -2.950 11.848 -15.084 1.00 0.00 H new ATOM 0 HB THR A 243 -1.603 11.772 -12.369 1.00 0.00 H new ATOM 0 HG1 THR A 243 0.367 11.369 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.011 9.481 -13.069 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.772 9.740 -13.086 1.00 0.00 H new ATOM 0 HG23 THR A 243 -1.858 9.739 -14.613 1.00 0.00 H new ATOM 366 N PHE A 244 -4.863 11.242 -13.559 1.00 0.00 N ATOM 367 CA PHE A 244 -6.099 11.050 -12.810 1.00 0.00 C ATOM 368 C PHE A 244 -6.146 9.658 -12.186 1.00 0.00 C ATOM 369 O PHE A 244 -5.660 8.688 -12.767 1.00 0.00 O ATOM 370 CB PHE A 244 -7.311 11.254 -13.722 1.00 0.00 C ATOM 371 CG PHE A 244 -7.555 12.692 -14.082 1.00 0.00 C ATOM 372 CD1 PHE A 244 -6.664 13.378 -14.892 1.00 0.00 C ATOM 373 CD2 PHE A 244 -8.675 13.357 -13.612 1.00 0.00 C ATOM 374 CE1 PHE A 244 -6.886 14.701 -15.224 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.903 14.680 -13.941 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.008 15.352 -14.749 1.00 0.00 C ATOM 0 H PHE A 244 -4.729 10.584 -14.327 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.128 11.789 -12.009 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.169 10.678 -14.636 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.198 10.856 -13.229 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -5.786 12.873 -15.268 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.379 12.835 -12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -6.183 15.225 -15.854 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -9.780 15.187 -13.567 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.185 16.385 -15.009 1.00 0.00 H new ATOM 386 N CYS A 245 -6.736 9.569 -10.998 1.00 0.00 N ATOM 387 CA CYS A 245 -6.847 8.297 -10.294 1.00 0.00 C ATOM 388 C CYS A 245 -7.790 7.349 -11.028 1.00 0.00 C ATOM 389 O CYS A 245 -8.941 7.690 -11.299 1.00 0.00 O ATOM 390 CB CYS A 245 -7.344 8.524 -8.865 1.00 0.00 C ATOM 391 SG CYS A 245 -6.833 7.233 -7.686 1.00 0.00 S ATOM 0 H CYS A 245 -7.144 10.362 -10.503 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.857 7.841 -10.260 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -6.977 9.488 -8.513 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.432 8.581 -8.875 1.00 0.00 H new ATOM 0 HG CYS A 245 -7.114 6.062 -8.176 1.00 0.00 H new ATOM 396 N GLU A 246 -7.294 6.157 -11.345 1.00 0.00 N ATOM 397 CA GLU A 246 -8.093 5.160 -12.047 1.00 0.00 C ATOM 398 C GLU A 246 -9.047 4.453 -11.089 1.00 0.00 C ATOM 399 O GLU A 246 -9.686 3.463 -11.448 1.00 0.00 O ATOM 400 CB GLU A 246 -7.185 4.134 -12.729 1.00 0.00 C ATOM 401 CG GLU A 246 -6.696 4.571 -14.100 1.00 0.00 C ATOM 402 CD GLU A 246 -6.088 5.959 -14.087 1.00 0.00 C ATOM 403 OE1 GLU A 246 -5.168 6.198 -13.277 1.00 0.00 O ATOM 404 OE2 GLU A 246 -6.532 6.808 -14.889 1.00 0.00 O ATOM 0 H GLU A 246 -6.343 5.859 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.683 5.674 -12.806 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.324 3.942 -12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.725 3.192 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.956 3.858 -14.462 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -7.529 4.550 -14.803 1.00 0.00 H new ATOM 411 N HIS A 247 -9.138 4.968 -9.866 1.00 0.00 N ATOM 412 CA HIS A 247 -10.014 4.387 -8.855 1.00 0.00 C ATOM 413 C HIS A 247 -11.068 5.395 -8.405 1.00 0.00 C ATOM 414 O HIS A 247 -12.243 5.277 -8.754 1.00 0.00 O ATOM 415 CB HIS A 247 -9.196 3.915 -7.652 1.00 0.00 C ATOM 416 CG HIS A 247 -10.034 3.389 -6.528 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.647 2.154 -6.561 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.357 3.936 -5.333 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.313 1.966 -5.435 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.153 3.032 -4.673 1.00 0.00 N ATOM 0 H HIS A 247 -8.616 5.786 -9.552 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.522 3.530 -9.298 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.506 3.136 -7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.591 4.745 -7.286 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.595 1.490 -7.333 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.047 4.903 -4.967 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.890 1.089 -5.181 1.00 0.00 H new ATOM 428 N CYS A 248 -10.639 6.384 -7.628 1.00 0.00 N ATOM 429 CA CYS A 248 -11.545 7.412 -7.129 1.00 0.00 C ATOM 430 C CYS A 248 -11.900 8.406 -8.231 1.00 0.00 C ATOM 431 O CYS A 248 -12.928 9.078 -8.167 1.00 0.00 O ATOM 432 CB CYS A 248 -10.912 8.148 -5.947 1.00 0.00 C ATOM 433 SG CYS A 248 -9.583 9.302 -6.415 1.00 0.00 S ATOM 0 H CYS A 248 -9.670 6.495 -7.330 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.461 6.924 -6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.689 8.701 -5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.512 7.414 -5.248 1.00 0.00 H new ATOM 0 HG CYS A 248 -8.511 8.631 -6.715 1.00 0.00 H new ATOM 438 N GLY A 249 -11.040 8.493 -9.241 1.00 0.00 N ATOM 439 CA GLY A 249 -11.280 9.407 -10.343 1.00 0.00 C ATOM 440 C GLY A 249 -11.204 10.860 -9.917 1.00 0.00 C ATOM 441 O GLY A 249 -12.067 11.664 -10.270 1.00 0.00 O ATOM 0 H GLY A 249 -10.182 7.947 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.548 9.223 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.263 9.207 -10.769 1.00 0.00 H new ATOM 445 N THR A 250 -10.169 11.199 -9.155 1.00 0.00 N ATOM 446 CA THR A 250 -9.985 12.564 -8.679 1.00 0.00 C ATOM 447 C THR A 250 -8.549 13.030 -8.888 1.00 0.00 C ATOM 448 O THR A 250 -7.622 12.220 -8.931 1.00 0.00 O ATOM 449 CB THR A 250 -10.342 12.690 -7.186 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.254 12.222 -6.381 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.598 11.897 -6.861 1.00 0.00 C ATOM 0 H THR A 250 -9.445 10.546 -8.854 1.00 0.00 H new ATOM 0 HA THR A 250 -10.657 13.196 -9.260 1.00 0.00 H new ATOM 0 HB THR A 250 -10.529 13.741 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.029 11.303 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.830 12.001 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.431 12.275 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.435 10.845 -7.095 1.00 0.00 H new ATOM 459 N LEU A 251 -8.370 14.340 -9.015 1.00 0.00 N ATOM 460 CA LEU A 251 -7.045 14.915 -9.219 1.00 0.00 C ATOM 461 C LEU A 251 -6.158 14.686 -7.999 1.00 0.00 C ATOM 462 O LEU A 251 -6.651 14.416 -6.902 1.00 0.00 O ATOM 463 CB LEU A 251 -7.156 16.413 -9.508 1.00 0.00 C ATOM 464 CG LEU A 251 -7.357 16.800 -10.974 1.00 0.00 C ATOM 465 CD1 LEU A 251 -7.438 18.312 -11.120 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.233 16.239 -11.833 1.00 0.00 C ATOM 0 H LEU A 251 -9.126 15.024 -8.980 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.589 14.419 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.989 16.814 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.252 16.901 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.298 16.371 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -7.581 18.569 -12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -8.278 18.689 -10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -6.513 18.762 -10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.393 16.524 -12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.279 16.638 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.222 15.152 -11.753 1.00 0.00 H new ATOM 478 N LEU A 252 -4.849 14.797 -8.196 1.00 0.00 N ATOM 479 CA LEU A 252 -3.893 14.605 -7.111 1.00 0.00 C ATOM 480 C LEU A 252 -3.654 15.909 -6.357 1.00 0.00 C ATOM 481 O LEU A 252 -4.226 16.946 -6.695 1.00 0.00 O ATOM 482 CB LEU A 252 -2.570 14.069 -7.660 1.00 0.00 C ATOM 483 CG LEU A 252 -2.578 12.615 -8.133 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.309 11.733 -7.133 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.216 12.507 -9.510 1.00 0.00 C ATOM 0 H LEU A 252 -4.425 15.019 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.312 13.878 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.264 14.700 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -1.810 14.174 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 252 -1.547 12.269 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -3.305 10.702 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -2.809 11.788 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -4.338 12.077 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.213 11.465 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -4.243 12.870 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -2.650 13.108 -10.222 1.00 0.00 H new ATOM 497 N TRP A 253 -2.805 15.850 -5.338 1.00 0.00 N ATOM 498 CA TRP A 253 -2.489 17.028 -4.538 1.00 0.00 C ATOM 499 C TRP A 253 -1.010 17.052 -4.166 1.00 0.00 C ATOM 500 O TRP A 253 -0.373 16.006 -4.048 1.00 0.00 O ATOM 501 CB TRP A 253 -3.347 17.056 -3.272 1.00 0.00 C ATOM 502 CG TRP A 253 -4.819 17.057 -3.553 1.00 0.00 C ATOM 503 CD1 TRP A 253 -5.576 15.997 -3.965 1.00 0.00 C ATOM 504 CD2 TRP A 253 -5.712 18.171 -3.443 1.00 0.00 C ATOM 505 NE1 TRP A 253 -6.885 16.386 -4.118 1.00 0.00 N ATOM 506 CE2 TRP A 253 -6.995 17.714 -3.803 1.00 0.00 C ATOM 507 CE3 TRP A 253 -5.553 19.509 -3.074 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -8.109 18.550 -3.805 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -6.659 20.337 -3.077 1.00 0.00 C ATOM 510 CH2 TRP A 253 -7.924 19.855 -3.440 1.00 0.00 C ATOM 0 H TRP A 253 -2.323 15.000 -5.046 1.00 0.00 H new ATOM 0 HA TRP A 253 -2.709 17.912 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.102 16.190 -2.656 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.095 17.942 -2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -5.201 15.000 -4.144 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -7.651 15.783 -4.418 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -4.583 19.889 -2.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -9.085 18.181 -4.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -6.547 21.373 -2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -8.769 20.527 -3.431 1.00 0.00 H new ATOM 521 N GLY A 254 -0.470 18.253 -3.981 1.00 0.00 N ATOM 522 CA GLY A 254 0.930 18.390 -3.624 1.00 0.00 C ATOM 523 C GLY A 254 1.823 18.566 -4.836 1.00 0.00 C ATOM 524 O GLY A 254 1.369 19.006 -5.893 1.00 0.00 O ATOM 0 H GLY A 254 -0.977 19.133 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.050 19.246 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.248 17.508 -3.067 1.00 0.00 H new ATOM 528 N LEU A 255 3.098 18.224 -4.684 1.00 0.00 N ATOM 529 CA LEU A 255 4.058 18.348 -5.775 1.00 0.00 C ATOM 530 C LEU A 255 4.769 17.022 -6.028 1.00 0.00 C ATOM 531 O LEU A 255 4.545 16.371 -7.047 1.00 0.00 O ATOM 532 CB LEU A 255 5.084 19.437 -5.456 1.00 0.00 C ATOM 533 CG LEU A 255 4.531 20.853 -5.293 1.00 0.00 C ATOM 534 CD1 LEU A 255 3.930 21.036 -3.908 1.00 0.00 C ATOM 535 CD2 LEU A 255 5.622 21.884 -5.544 1.00 0.00 C ATOM 0 H LEU A 255 3.491 17.859 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 255 3.512 18.624 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 255 5.601 19.163 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.830 19.449 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 255 3.742 21.001 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 255 3.542 22.050 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 255 3.119 20.322 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 255 4.698 20.868 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 255 5.210 22.886 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 255 6.433 21.737 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 255 6.005 21.769 -6.558 1.00 0.00 H new ATOM 547 N ALA A 256 5.626 16.628 -5.091 1.00 0.00 N ATOM 548 CA ALA A 256 6.367 15.378 -5.211 1.00 0.00 C ATOM 549 C ALA A 256 5.574 14.213 -4.628 1.00 0.00 C ATOM 550 O ALA A 256 4.443 14.385 -4.173 1.00 0.00 O ATOM 551 CB ALA A 256 7.718 15.497 -4.521 1.00 0.00 C ATOM 0 H ALA A 256 5.824 17.156 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 256 6.529 15.180 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.260 14.557 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.294 16.298 -4.985 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.569 15.722 -3.465 1.00 0.00 H new ATOM 557 N ARG A 257 6.174 13.027 -4.647 1.00 0.00 N ATOM 558 CA ARG A 257 5.523 11.833 -4.122 1.00 0.00 C ATOM 559 C ARG A 257 4.074 11.753 -4.593 1.00 0.00 C ATOM 560 O ARG A 257 3.230 11.148 -3.932 1.00 0.00 O ATOM 561 CB ARG A 257 5.575 11.828 -2.593 1.00 0.00 C ATOM 562 CG ARG A 257 6.907 11.358 -2.031 1.00 0.00 C ATOM 563 CD ARG A 257 8.066 11.777 -2.922 1.00 0.00 C ATOM 564 NE ARG A 257 9.351 11.665 -2.236 1.00 0.00 N ATOM 565 CZ ARG A 257 10.518 11.599 -2.868 1.00 0.00 C ATOM 566 NH1 ARG A 257 10.561 11.635 -4.193 1.00 0.00 N ATOM 567 NH2 ARG A 257 11.644 11.498 -2.175 1.00 0.00 N ATOM 0 H ARG A 257 7.110 12.868 -5.020 1.00 0.00 H new ATOM 0 HA ARG A 257 6.058 10.962 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 257 5.371 12.834 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.782 11.184 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 257 7.047 11.770 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 257 6.898 10.273 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 257 8.078 11.156 -3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 257 7.918 12.806 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 257 9.352 11.636 -1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 257 9.697 11.714 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 257 11.458 11.584 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 257 11.615 11.471 -1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 257 12.539 11.447 -2.661 1.00 0.00 H new ATOM 581 N GLN A 258 3.793 12.368 -5.737 1.00 0.00 N ATOM 582 CA GLN A 258 2.446 12.367 -6.294 1.00 0.00 C ATOM 583 C GLN A 258 1.917 10.944 -6.436 1.00 0.00 C ATOM 584 O GLN A 258 2.364 10.188 -7.297 1.00 0.00 O ATOM 585 CB GLN A 258 2.434 13.067 -7.655 1.00 0.00 C ATOM 586 CG GLN A 258 1.102 13.718 -7.992 1.00 0.00 C ATOM 587 CD GLN A 258 1.170 14.573 -9.241 1.00 0.00 C ATOM 588 OE1 GLN A 258 2.055 15.418 -9.382 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.233 14.359 -10.158 1.00 0.00 N ATOM 0 H GLN A 258 4.480 12.873 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 258 1.796 12.910 -5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 258 3.215 13.827 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 258 2.681 12.341 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 258 0.347 12.943 -8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 258 0.780 14.334 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -0.482 13.649 -10.001 1.00 0.00 H new ATOM 0 HE22 GLN A 258 0.228 14.905 -11.020 1.00 0.00 H new ATOM 598 N GLY A 259 0.960 10.586 -5.585 1.00 0.00 N ATOM 599 CA GLY A 259 0.386 9.254 -5.632 1.00 0.00 C ATOM 600 C GLY A 259 1.419 8.188 -5.939 1.00 0.00 C ATOM 601 O GLY A 259 2.599 8.347 -5.625 1.00 0.00 O ATOM 0 H GLY A 259 0.572 11.195 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.088 9.032 -4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.397 9.226 -6.390 1.00 0.00 H new ATOM 605 N LEU A 260 0.976 7.097 -6.555 1.00 0.00 N ATOM 606 CA LEU A 260 1.870 5.999 -6.904 1.00 0.00 C ATOM 607 C LEU A 260 1.613 5.518 -8.328 1.00 0.00 C ATOM 608 O LEU A 260 0.636 5.918 -8.963 1.00 0.00 O ATOM 609 CB LEU A 260 1.693 4.839 -5.922 1.00 0.00 C ATOM 610 CG LEU A 260 1.582 5.220 -4.446 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.736 4.204 -3.694 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.964 5.333 -3.819 1.00 0.00 C ATOM 0 H LEU A 260 0.003 6.950 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 260 2.895 6.365 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.797 4.286 -6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.537 4.159 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 260 1.093 6.192 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.668 4.492 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.264 4.172 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.196 3.219 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.866 5.605 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.479 4.376 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.538 6.099 -4.340 1.00 0.00 H new ATOM 624 N LYS A 261 2.494 4.657 -8.825 1.00 0.00 N ATOM 625 CA LYS A 261 2.361 4.118 -10.173 1.00 0.00 C ATOM 626 C LYS A 261 2.794 2.656 -10.220 1.00 0.00 C ATOM 627 O LYS A 261 3.885 2.306 -9.770 1.00 0.00 O ATOM 628 CB LYS A 261 3.197 4.940 -11.157 1.00 0.00 C ATOM 629 CG LYS A 261 3.121 4.436 -12.588 1.00 0.00 C ATOM 630 CD LYS A 261 4.272 4.965 -13.428 1.00 0.00 C ATOM 631 CE LYS A 261 4.025 6.399 -13.871 1.00 0.00 C ATOM 632 NZ LYS A 261 4.948 6.808 -14.966 1.00 0.00 N ATOM 0 H LYS A 261 3.309 4.317 -8.314 1.00 0.00 H new ATOM 0 HA LYS A 261 1.311 4.177 -10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.862 5.977 -11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.237 4.932 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.137 3.346 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.174 4.742 -13.033 1.00 0.00 H new ATOM 0 HD2 LYS A 261 5.197 4.915 -12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.406 4.330 -14.304 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.994 6.502 -14.208 1.00 0.00 H new ATOM 0 HE3 LYS A 261 4.151 7.069 -13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.748 7.791 -15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 5.932 6.734 -14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 4.810 6.185 -15.787 1.00 0.00 H new ATOM 646 N CYS A 262 1.932 1.806 -10.768 1.00 0.00 N ATOM 647 CA CYS A 262 2.225 0.382 -10.875 1.00 0.00 C ATOM 648 C CYS A 262 3.290 0.124 -11.936 1.00 0.00 C ATOM 649 O CYS A 262 3.066 0.353 -13.124 1.00 0.00 O ATOM 650 CB CYS A 262 0.952 -0.398 -11.214 1.00 0.00 C ATOM 651 SG CYS A 262 1.053 -2.180 -10.849 1.00 0.00 S ATOM 0 H CYS A 262 1.024 2.079 -11.145 1.00 0.00 H new ATOM 0 HA CYS A 262 2.606 0.042 -9.912 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.118 0.029 -10.658 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.729 -0.267 -12.273 1.00 0.00 H new ATOM 0 HG CYS A 262 2.297 -2.519 -10.684 1.00 0.00 H new ATOM 656 N ASP A 263 4.450 -0.355 -11.497 1.00 0.00 N ATOM 657 CA ASP A 263 5.550 -0.646 -12.408 1.00 0.00 C ATOM 658 C ASP A 263 5.250 -1.885 -13.246 1.00 0.00 C ATOM 659 O ASP A 263 5.966 -2.191 -14.199 1.00 0.00 O ATOM 660 CB ASP A 263 6.849 -0.847 -11.626 1.00 0.00 C ATOM 661 CG ASP A 263 8.074 -0.443 -12.423 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.129 -0.761 -13.629 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.977 0.193 -11.840 1.00 0.00 O ATOM 0 H ASP A 263 4.652 -0.550 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 263 5.667 0.205 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.809 -0.264 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.937 -1.894 -11.336 1.00 0.00 H new ATOM 668 N ALA A 264 4.187 -2.595 -12.882 1.00 0.00 N ATOM 669 CA ALA A 264 3.791 -3.800 -13.600 1.00 0.00 C ATOM 670 C ALA A 264 2.946 -3.459 -14.823 1.00 0.00 C ATOM 671 O ALA A 264 3.401 -3.588 -15.960 1.00 0.00 O ATOM 672 CB ALA A 264 3.029 -4.739 -12.676 1.00 0.00 C ATOM 0 H ALA A 264 3.585 -2.356 -12.094 1.00 0.00 H new ATOM 0 HA ALA A 264 4.696 -4.301 -13.944 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.740 -5.635 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.665 -5.018 -11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.136 -4.237 -12.304 1.00 0.00 H new ATOM 678 N CYS A 265 1.714 -3.023 -14.582 1.00 0.00 N ATOM 679 CA CYS A 265 0.805 -2.663 -15.663 1.00 0.00 C ATOM 680 C CYS A 265 1.010 -1.212 -16.086 1.00 0.00 C ATOM 681 O CYS A 265 1.094 -0.906 -17.275 1.00 0.00 O ATOM 682 CB CYS A 265 -0.647 -2.880 -15.230 1.00 0.00 C ATOM 683 SG CYS A 265 -1.138 -1.911 -13.767 1.00 0.00 S ATOM 0 H CYS A 265 1.322 -2.911 -13.647 1.00 0.00 H new ATOM 0 HA CYS A 265 1.023 -3.305 -16.516 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.305 -2.623 -16.060 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.798 -3.939 -15.019 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.313 -2.150 -12.791 1.00 0.00 H new ATOM 688 N GLY A 266 1.089 -0.320 -15.103 1.00 0.00 N ATOM 689 CA GLY A 266 1.284 1.089 -15.393 1.00 0.00 C ATOM 690 C GLY A 266 0.036 1.911 -15.138 1.00 0.00 C ATOM 691 O GLY A 266 -0.497 2.542 -16.050 1.00 0.00 O ATOM 0 H GLY A 266 1.021 -0.548 -14.111 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.100 1.473 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.585 1.204 -16.434 1.00 0.00 H new ATOM 695 N MET A 267 -0.431 1.903 -13.894 1.00 0.00 N ATOM 696 CA MET A 267 -1.625 2.654 -13.521 1.00 0.00 C ATOM 697 C MET A 267 -1.299 3.702 -12.463 1.00 0.00 C ATOM 698 O MET A 267 -0.429 3.495 -11.618 1.00 0.00 O ATOM 699 CB MET A 267 -2.708 1.706 -13.001 1.00 0.00 C ATOM 700 CG MET A 267 -4.061 2.373 -12.818 1.00 0.00 C ATOM 701 SD MET A 267 -5.399 1.183 -12.608 1.00 0.00 S ATOM 702 CE MET A 267 -4.602 -0.043 -11.574 1.00 0.00 C ATOM 0 H MET A 267 -0.002 1.385 -13.127 1.00 0.00 H new ATOM 0 HA MET A 267 -1.996 3.164 -14.410 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.814 0.872 -13.695 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.386 1.288 -12.047 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.024 3.029 -11.948 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.272 3.002 -13.683 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.358 -0.687 -11.125 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.925 -0.645 -12.180 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.037 0.457 -10.787 1.00 0.00 H new ATOM 712 N ASN A 268 -2.003 4.829 -12.516 1.00 0.00 N ATOM 713 CA ASN A 268 -1.787 5.910 -11.561 1.00 0.00 C ATOM 714 C ASN A 268 -2.938 5.992 -10.563 1.00 0.00 C ATOM 715 O ASN A 268 -4.096 6.156 -10.946 1.00 0.00 O ATOM 716 CB ASN A 268 -1.638 7.244 -12.296 1.00 0.00 C ATOM 717 CG ASN A 268 -1.019 7.081 -13.670 1.00 0.00 C ATOM 718 OD1 ASN A 268 -1.716 7.109 -14.685 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.298 6.910 -13.710 1.00 0.00 N ATOM 0 H ASN A 268 -2.727 5.017 -13.209 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.869 5.700 -11.013 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.617 7.712 -12.395 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.021 7.917 -11.700 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.770 6.795 -14.607 1.00 0.00 H new ATOM 0 HD22 ASN A 268 0.837 6.893 -12.844 1.00 0.00 H new ATOM 726 N VAL A 269 -2.610 5.879 -9.280 1.00 0.00 N ATOM 727 CA VAL A 269 -3.615 5.942 -8.226 1.00 0.00 C ATOM 728 C VAL A 269 -3.078 6.666 -6.997 1.00 0.00 C ATOM 729 O VAL A 269 -1.929 7.110 -6.977 1.00 0.00 O ATOM 730 CB VAL A 269 -4.085 4.534 -7.813 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.921 3.905 -8.918 1.00 0.00 C ATOM 732 CG2 VAL A 269 -2.893 3.654 -7.469 1.00 0.00 C ATOM 0 H VAL A 269 -1.656 5.743 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.462 6.496 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.709 4.624 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.244 2.911 -8.609 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.795 4.527 -9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.323 3.826 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.244 2.663 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.241 3.569 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.339 4.099 -6.642 1.00 0.00 H new ATOM 742 N HIS A 270 -3.916 6.783 -5.972 1.00 0.00 N ATOM 743 CA HIS A 270 -3.525 7.453 -4.737 1.00 0.00 C ATOM 744 C HIS A 270 -2.827 6.482 -3.789 1.00 0.00 C ATOM 745 O HIS A 270 -2.592 5.324 -4.133 1.00 0.00 O ATOM 746 CB HIS A 270 -4.749 8.061 -4.052 1.00 0.00 C ATOM 747 CG HIS A 270 -5.097 9.430 -4.551 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.263 9.710 -5.230 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.424 10.601 -4.464 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.292 10.993 -5.542 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.187 11.557 -5.087 1.00 0.00 N ATOM 0 H HIS A 270 -4.870 6.423 -5.972 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.827 8.250 -4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.604 7.401 -4.201 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.567 8.110 -2.978 1.00 0.00 H new ATOM 0 HD1 HIS A 270 -6.990 9.032 -5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.465 10.755 -3.992 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.084 11.496 -6.078 1.00 0.00 H new ATOM 759 N HIS A 271 -2.498 6.963 -2.594 1.00 0.00 N ATOM 760 CA HIS A 271 -1.826 6.138 -1.597 1.00 0.00 C ATOM 761 C HIS A 271 -2.814 5.192 -0.919 1.00 0.00 C ATOM 762 O HIS A 271 -2.471 4.060 -0.580 1.00 0.00 O ATOM 763 CB HIS A 271 -1.146 7.019 -0.549 1.00 0.00 C ATOM 764 CG HIS A 271 -0.280 8.090 -1.138 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.028 7.876 -1.518 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.543 9.389 -1.414 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.533 8.998 -2.000 1.00 0.00 C ATOM 768 NE2 HIS A 271 0.600 9.931 -1.948 1.00 0.00 N ATOM 0 H HIS A 271 -2.686 7.919 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.069 5.542 -2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.910 7.483 0.075 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.540 6.391 0.104 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -1.478 9.903 -1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.538 9.130 -2.373 1.00 0.00 H new ATOM 0 HE2 HIS A 271 0.710 10.897 -2.255 1.00 0.00 H new ATOM 776 N ARG A 272 -4.041 5.666 -0.726 1.00 0.00 N ATOM 777 CA ARG A 272 -5.077 4.864 -0.087 1.00 0.00 C ATOM 778 C ARG A 272 -5.923 4.139 -1.130 1.00 0.00 C ATOM 779 O ARG A 272 -6.317 2.989 -0.935 1.00 0.00 O ATOM 780 CB ARG A 272 -5.971 5.747 0.785 1.00 0.00 C ATOM 781 CG ARG A 272 -6.373 7.053 0.119 1.00 0.00 C ATOM 782 CD ARG A 272 -7.666 7.600 0.702 1.00 0.00 C ATOM 783 NE ARG A 272 -8.840 6.904 0.181 1.00 0.00 N ATOM 784 CZ ARG A 272 -10.075 7.386 0.261 1.00 0.00 C ATOM 785 NH1 ARG A 272 -10.297 8.559 0.837 1.00 0.00 N ATOM 786 NH2 ARG A 272 -11.092 6.693 -0.237 1.00 0.00 N ATOM 0 H ARG A 272 -4.341 6.601 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.589 4.120 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.871 5.191 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -5.450 5.969 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -5.577 7.787 0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -6.494 6.894 -0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -7.642 7.507 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -7.745 8.663 0.475 1.00 0.00 H new ATOM 0 HE ARG A 272 -8.704 5.999 -0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -9.518 9.094 1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -11.247 8.926 0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -10.925 5.790 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -12.040 7.063 -0.175 1.00 0.00 H new ATOM 800 N CYS A 273 -6.200 4.820 -2.237 1.00 0.00 N ATOM 801 CA CYS A 273 -6.999 4.242 -3.311 1.00 0.00 C ATOM 802 C CYS A 273 -6.395 2.927 -3.792 1.00 0.00 C ATOM 803 O CYS A 273 -7.103 2.053 -4.292 1.00 0.00 O ATOM 804 CB CYS A 273 -7.108 5.225 -4.479 1.00 0.00 C ATOM 805 SG CYS A 273 -8.108 6.703 -4.117 1.00 0.00 S ATOM 0 H CYS A 273 -5.883 5.773 -2.414 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.996 4.040 -2.920 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.106 5.540 -4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.540 4.708 -5.336 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.344 7.348 -5.221 1.00 0.00 H new ATOM 810 N GLN A 274 -5.081 2.794 -3.638 1.00 0.00 N ATOM 811 CA GLN A 274 -4.382 1.585 -4.058 1.00 0.00 C ATOM 812 C GLN A 274 -4.892 0.368 -3.294 1.00 0.00 C ATOM 813 O GLN A 274 -4.969 -0.734 -3.839 1.00 0.00 O ATOM 814 CB GLN A 274 -2.875 1.742 -3.843 1.00 0.00 C ATOM 815 CG GLN A 274 -2.448 1.585 -2.393 1.00 0.00 C ATOM 816 CD GLN A 274 -0.968 1.847 -2.189 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.151 1.575 -3.069 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.616 2.377 -1.024 1.00 0.00 N ATOM 0 H GLN A 274 -4.480 3.508 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.577 1.433 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.351 1.003 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.566 2.724 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -3.024 2.272 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.684 0.576 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.327 2.586 -0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.366 2.575 -0.829 1.00 0.00 H new ATOM 827 N THR A 275 -5.239 0.573 -2.027 1.00 0.00 N ATOM 828 CA THR A 275 -5.741 -0.508 -1.188 1.00 0.00 C ATOM 829 C THR A 275 -7.215 -0.781 -1.465 1.00 0.00 C ATOM 830 O THR A 275 -7.853 -1.569 -0.767 1.00 0.00 O ATOM 831 CB THR A 275 -5.562 -0.186 0.308 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.444 0.876 0.689 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.124 0.209 0.609 1.00 0.00 C ATOM 0 H THR A 275 -5.181 1.478 -1.560 1.00 0.00 H new ATOM 0 HA THR A 275 -5.158 -1.396 -1.434 1.00 0.00 H new ATOM 0 HB THR A 275 -5.803 -1.081 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.209 1.689 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.023 0.432 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.458 -0.613 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.860 1.092 0.026 1.00 0.00 H new ATOM 841 N LYS A 276 -7.751 -0.124 -2.488 1.00 0.00 N ATOM 842 CA LYS A 276 -9.150 -0.297 -2.860 1.00 0.00 C ATOM 843 C LYS A 276 -9.271 -0.948 -4.234 1.00 0.00 C ATOM 844 O LYS A 276 -10.365 -1.317 -4.663 1.00 0.00 O ATOM 845 CB LYS A 276 -9.870 1.053 -2.858 1.00 0.00 C ATOM 846 CG LYS A 276 -9.901 1.724 -1.496 1.00 0.00 C ATOM 847 CD LYS A 276 -11.022 2.746 -1.403 1.00 0.00 C ATOM 848 CE LYS A 276 -11.465 2.957 0.036 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.714 3.764 0.119 1.00 0.00 N ATOM 0 H LYS A 276 -7.237 0.534 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.617 -0.952 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.380 1.717 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.893 0.910 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -10.030 0.969 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.945 2.213 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.688 3.694 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.870 2.413 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -11.625 1.990 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.671 3.458 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -12.909 4.001 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -12.598 4.640 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -13.508 3.215 -0.268 1.00 0.00 H new ATOM 863 N VAL A 277 -8.141 -1.088 -4.920 1.00 0.00 N ATOM 864 CA VAL A 277 -8.121 -1.697 -6.244 1.00 0.00 C ATOM 865 C VAL A 277 -8.059 -3.218 -6.149 1.00 0.00 C ATOM 866 O VAL A 277 -7.928 -3.777 -5.061 1.00 0.00 O ATOM 867 CB VAL A 277 -6.923 -1.197 -7.074 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.241 -1.254 -8.560 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.539 0.214 -6.656 1.00 0.00 C ATOM 0 H VAL A 277 -7.227 -0.788 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.046 -1.404 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.073 -1.852 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.383 -0.897 -9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.464 -2.282 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.105 -0.624 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.691 0.552 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.384 0.883 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.266 0.219 -5.601 1.00 0.00 H new ATOM 879 N ALA A 278 -8.154 -3.881 -7.297 1.00 0.00 N ATOM 880 CA ALA A 278 -8.107 -5.337 -7.343 1.00 0.00 C ATOM 881 C ALA A 278 -6.667 -5.839 -7.372 1.00 0.00 C ATOM 882 O ALA A 278 -5.724 -5.050 -7.331 1.00 0.00 O ATOM 883 CB ALA A 278 -8.872 -5.852 -8.554 1.00 0.00 C ATOM 0 H ALA A 278 -8.264 -3.433 -8.207 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.580 -5.720 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -8.829 -6.941 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -9.912 -5.532 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.424 -5.453 -9.464 1.00 0.00 H new ATOM 889 N ASN A 279 -6.506 -7.157 -7.443 1.00 0.00 N ATOM 890 CA ASN A 279 -5.180 -7.764 -7.476 1.00 0.00 C ATOM 891 C ASN A 279 -4.961 -8.521 -8.782 1.00 0.00 C ATOM 892 O ASN A 279 -4.238 -9.518 -8.821 1.00 0.00 O ATOM 893 CB ASN A 279 -5.000 -8.710 -6.288 1.00 0.00 C ATOM 894 CG ASN A 279 -5.419 -8.077 -4.975 1.00 0.00 C ATOM 895 OD1 ASN A 279 -6.139 -8.683 -4.182 1.00 0.00 O ATOM 896 ND2 ASN A 279 -4.968 -6.850 -4.740 1.00 0.00 N ATOM 0 H ASN A 279 -7.277 -7.824 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.440 -6.966 -7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.585 -9.614 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -3.955 -9.014 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -5.216 -6.373 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -4.373 -6.385 -5.426 1.00 0.00 H new ATOM 903 N LEU A 280 -5.590 -8.043 -9.850 1.00 0.00 N ATOM 904 CA LEU A 280 -5.464 -8.674 -11.159 1.00 0.00 C ATOM 905 C LEU A 280 -4.594 -7.833 -12.087 1.00 0.00 C ATOM 906 O LEU A 280 -5.069 -7.305 -13.093 1.00 0.00 O ATOM 907 CB LEU A 280 -6.846 -8.879 -11.783 1.00 0.00 C ATOM 908 CG LEU A 280 -7.872 -9.610 -10.917 1.00 0.00 C ATOM 909 CD1 LEU A 280 -8.624 -8.625 -10.035 1.00 0.00 C ATOM 910 CD2 LEU A 280 -8.841 -10.397 -11.788 1.00 0.00 C ATOM 0 H LEU A 280 -6.193 -7.220 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.986 -9.644 -11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.252 -7.902 -12.046 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.724 -9.434 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.342 -10.312 -10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.350 -9.163 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -7.919 -8.106 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.143 -7.899 -10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -9.564 -10.911 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -9.365 -9.715 -12.457 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -8.289 -11.130 -12.376 1.00 0.00 H new ATOM 922 N CYS A 281 -3.315 -7.715 -11.745 1.00 0.00 N ATOM 923 CA CYS A 281 -2.377 -6.940 -12.547 1.00 0.00 C ATOM 924 C CYS A 281 -1.835 -7.774 -13.705 1.00 0.00 C ATOM 925 O CYS A 281 -1.258 -8.841 -13.500 1.00 0.00 O ATOM 926 CB CYS A 281 -1.220 -6.442 -11.678 1.00 0.00 C ATOM 927 SG CYS A 281 -0.091 -5.294 -12.530 1.00 0.00 S ATOM 0 H CYS A 281 -2.905 -8.147 -10.917 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.910 -6.082 -12.957 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.628 -5.946 -10.797 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.649 -7.301 -11.325 1.00 0.00 H new ATOM 0 HG CYS A 281 0.133 -4.263 -11.771 1.00 0.00 H new ATOM 932 N GLY A 282 -2.024 -7.277 -14.924 1.00 0.00 N ATOM 933 CA GLY A 282 -1.549 -7.988 -16.097 1.00 0.00 C ATOM 934 C GLY A 282 -2.540 -9.024 -16.588 1.00 0.00 C ATOM 935 O GLY A 282 -2.710 -9.208 -17.794 1.00 0.00 O ATOM 0 H GLY A 282 -2.497 -6.395 -15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -1.350 -7.273 -16.895 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.603 -8.477 -15.864 1.00 0.00 H new ATOM 939 N ILE A 283 -3.195 -9.704 -15.653 1.00 0.00 N ATOM 940 CA ILE A 283 -4.173 -10.728 -15.997 1.00 0.00 C ATOM 941 C ILE A 283 -5.333 -10.135 -16.790 1.00 0.00 C ATOM 942 O ILE A 283 -6.062 -10.853 -17.474 1.00 0.00 O ATOM 943 CB ILE A 283 -4.728 -11.423 -14.740 1.00 0.00 C ATOM 944 CG1 ILE A 283 -3.613 -12.179 -14.015 1.00 0.00 C ATOM 945 CG2 ILE A 283 -5.860 -12.368 -15.113 1.00 0.00 C ATOM 946 CD1 ILE A 283 -4.112 -13.339 -13.182 1.00 0.00 C ATOM 0 H ILE A 283 -3.066 -9.564 -14.651 1.00 0.00 H new ATOM 0 HA ILE A 283 -3.655 -11.465 -16.610 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.123 -10.662 -14.067 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -2.899 -12.551 -14.750 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -3.074 -11.485 -13.370 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.242 -12.852 -14.214 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -6.662 -11.805 -15.590 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.489 -13.126 -15.803 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.267 -13.829 -12.697 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.803 -12.971 -12.423 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.626 -14.054 -13.825 1.00 0.00 H new ATOM 958 N ASN A 284 -5.497 -8.820 -16.694 1.00 0.00 N ATOM 959 CA ASN A 284 -6.568 -8.129 -17.404 1.00 0.00 C ATOM 960 C ASN A 284 -6.736 -8.690 -18.813 1.00 0.00 C ATOM 961 O ASN A 284 -7.855 -8.856 -19.296 1.00 0.00 O ATOM 962 CB ASN A 284 -6.278 -6.628 -17.471 1.00 0.00 C ATOM 963 CG ASN A 284 -7.526 -5.811 -17.746 1.00 0.00 C ATOM 964 OD1 ASN A 284 -8.585 -6.358 -18.054 1.00 0.00 O ATOM 965 ND2 ASN A 284 -7.406 -4.493 -17.635 1.00 0.00 N ATOM 0 H ASN A 284 -4.902 -8.211 -16.132 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.496 -8.288 -16.856 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -5.835 -6.304 -16.530 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -5.542 -6.437 -18.252 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -8.211 -3.891 -17.808 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -6.509 -4.083 -17.377 1.00 0.00 H new