USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 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 18 ASN : amide:sc= -2.52! X(o=-4.9!,f=-5.1) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.42! C(o=-4.9!,f=-7.5!) USER MOD Set 2.1: A 80 MET CE :methyl -119:sc= -3.29 (180deg=-4.49!) USER MOD Set 2.2: A 84 GLN : amide:sc= -1.08 K(o=-4.4,f=-2.9) USER MOD Set 3.1: A 20 THR OG1 : rot -171:sc= -1.27 USER MOD Set 3.2: A 89 GLN : amide:sc= -0.0133 K(o=-1.3,f=-3.7) USER MOD Single : A 14 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 130:sc= 0.0305 (180deg=-0.258) USER MOD Single : A 23 ASN : amide:sc= -0.896 X(o=-0.9,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.11) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.391 USER MOD Single : A 35 ASN : amide:sc= -0.0825 X(o=-0.082,f=-0.016) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 175:sc= -0.0196 (180deg=-0.103) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.0892 (180deg=-0.615) USER MOD Single : A 48 SER OG : rot 62:sc= 1.13 USER MOD Single : A 52 ASN : amide:sc=-0.00188 X(o=-0.0019,f=-0.034) USER MOD Single : A 53 THR OG1 : rot 45:sc= 0.0349 USER MOD Single : A 55 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.0501 (180deg=-0.344) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0859 X(o=-0.086,f=-0.035) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -2.06 K(o=-2.1,f=-4.2!) USER MOD Single : A 74 TYR OH : rot -130:sc= -0.535 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -0.0916 (180deg=-0.593) USER MOD Single : A 86 ASN : amide:sc= -2.25! C(o=-2.2!,f=-4.3!) USER MOD Single : A 90 MET CE :methyl -141:sc= -0.156 (180deg=-1.29) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0.161 K(o=0.16,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -2.472 -10.237 8.809 1.00 0.00 N ATOM 155 CA GLN A 14 -1.246 -9.510 8.524 1.00 0.00 C ATOM 156 C GLN A 14 -0.907 -9.604 7.035 1.00 0.00 C ATOM 157 O GLN A 14 -0.749 -10.700 6.499 1.00 0.00 O ATOM 158 CB GLN A 14 -0.090 -10.025 9.384 1.00 0.00 C ATOM 159 CG GLN A 14 -0.066 -11.554 9.410 1.00 0.00 C ATOM 160 CD GLN A 14 1.181 -12.070 10.132 1.00 0.00 C ATOM 161 OE1 GLN A 14 2.266 -12.139 9.579 1.00 0.00 O ATOM 162 NE2 GLN A 14 0.966 -12.428 11.395 1.00 0.00 N ATOM 0 HA GLN A 14 -1.402 -8.461 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.855 -9.649 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.189 -9.642 10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.960 -11.927 9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.086 -11.939 8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.032 -12.345 11.797 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.735 -12.786 11.962 1.00 0.00 H new ATOM 171 N VAL A 15 -0.805 -8.441 6.409 1.00 0.00 N ATOM 172 CA VAL A 15 -0.487 -8.378 4.993 1.00 0.00 C ATOM 173 C VAL A 15 0.943 -7.862 4.818 1.00 0.00 C ATOM 174 O VAL A 15 1.428 -7.078 5.632 1.00 0.00 O ATOM 175 CB VAL A 15 -1.524 -7.525 4.261 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.992 -7.060 2.904 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.844 -8.282 4.102 1.00 0.00 C ATOM 0 H VAL A 15 -0.937 -7.534 6.857 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.531 -9.372 4.547 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.717 -6.640 4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.749 -6.455 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.091 -6.465 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.757 -7.928 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.564 -7.653 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.674 -9.193 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.236 -8.540 5.086 1.00 0.00 H new ATOM 187 N THR A 16 1.578 -8.323 3.750 1.00 0.00 N ATOM 188 CA THR A 16 2.942 -7.918 3.458 1.00 0.00 C ATOM 189 C THR A 16 2.957 -6.830 2.382 1.00 0.00 C ATOM 190 O THR A 16 2.755 -7.115 1.203 1.00 0.00 O ATOM 191 CB THR A 16 3.734 -9.168 3.068 1.00 0.00 C ATOM 192 OG1 THR A 16 3.583 -10.037 4.187 1.00 0.00 O ATOM 193 CG2 THR A 16 5.240 -8.909 2.997 1.00 0.00 C ATOM 0 H THR A 16 1.173 -8.973 3.077 1.00 0.00 H new ATOM 0 HA THR A 16 3.418 -7.474 4.332 1.00 0.00 H new ATOM 0 HB THR A 16 3.383 -9.533 2.103 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.064 -10.874 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.754 -9.828 2.716 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.442 -8.138 2.253 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.598 -8.576 3.971 1.00 0.00 H new ATOM 201 N LEU A 17 3.198 -5.605 2.828 1.00 0.00 N ATOM 202 CA LEU A 17 3.241 -4.473 1.918 1.00 0.00 C ATOM 203 C LEU A 17 4.661 -4.318 1.371 1.00 0.00 C ATOM 204 O LEU A 17 5.533 -3.771 2.044 1.00 0.00 O ATOM 205 CB LEU A 17 2.705 -3.214 2.604 1.00 0.00 C ATOM 206 CG LEU A 17 1.222 -3.234 2.979 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.827 -1.955 3.719 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.348 -3.478 1.747 1.00 0.00 C ATOM 0 H LEU A 17 3.365 -5.372 3.807 1.00 0.00 H new ATOM 0 HA LEU A 17 2.587 -4.646 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.286 -3.043 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.882 -2.363 1.946 1.00 0.00 H new ATOM 0 HG LEU A 17 1.053 -4.066 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.232 -1.995 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.417 -1.865 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.014 -1.092 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.701 -3.488 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.514 -2.683 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.608 -4.438 1.301 1.00 0.00 H new ATOM 220 N ASN A 18 4.849 -4.810 0.155 1.00 0.00 N ATOM 221 CA ASN A 18 6.149 -4.733 -0.490 1.00 0.00 C ATOM 222 C ASN A 18 6.238 -3.434 -1.294 1.00 0.00 C ATOM 223 O ASN A 18 5.699 -3.344 -2.396 1.00 0.00 O ATOM 224 CB ASN A 18 6.355 -5.902 -1.456 1.00 0.00 C ATOM 225 CG ASN A 18 6.210 -7.242 -0.732 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.623 -7.412 0.403 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.603 -8.182 -1.451 1.00 0.00 N ATOM 0 H ASN A 18 4.123 -5.263 -0.400 1.00 0.00 H new ATOM 0 HA ASN A 18 6.913 -4.768 0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.628 -5.842 -2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.344 -5.834 -1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.459 -9.112 -1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.281 -7.973 -2.396 1.00 0.00 H new ATOM 234 N VAL A 19 6.923 -2.461 -0.712 1.00 0.00 N ATOM 235 CA VAL A 19 7.089 -1.171 -1.360 1.00 0.00 C ATOM 236 C VAL A 19 8.388 -1.176 -2.170 1.00 0.00 C ATOM 237 O VAL A 19 9.429 -1.606 -1.676 1.00 0.00 O ATOM 238 CB VAL A 19 7.038 -0.051 -0.319 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.268 1.314 -0.971 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.715 -0.077 0.449 1.00 0.00 C ATOM 0 H VAL A 19 7.370 -2.540 0.202 1.00 0.00 H new ATOM 0 HA VAL A 19 6.271 -0.986 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 19 7.843 -0.220 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.227 2.093 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.246 1.328 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.495 1.496 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.704 0.729 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.887 0.055 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.610 -1.034 0.960 1.00 0.00 H new ATOM 250 N THR A 20 8.283 -0.693 -3.399 1.00 0.00 N ATOM 251 CA THR A 20 9.436 -0.637 -4.281 1.00 0.00 C ATOM 252 C THR A 20 9.630 0.784 -4.815 1.00 0.00 C ATOM 253 O THR A 20 8.973 1.186 -5.774 1.00 0.00 O ATOM 254 CB THR A 20 9.239 -1.679 -5.384 1.00 0.00 C ATOM 255 OG1 THR A 20 9.536 -2.919 -4.748 1.00 0.00 O ATOM 256 CG2 THR A 20 10.291 -1.567 -6.490 1.00 0.00 C ATOM 0 H THR A 20 7.418 -0.337 -3.805 1.00 0.00 H new ATOM 0 HA THR A 20 10.355 -0.878 -3.747 1.00 0.00 H new ATOM 0 HB THR A 20 8.244 -1.566 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.572 -3.631 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.105 -2.329 -7.247 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.234 -0.579 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.284 -1.713 -6.064 1.00 0.00 H new ATOM 264 N PHE A 21 10.535 1.505 -4.170 1.00 0.00 N ATOM 265 CA PHE A 21 10.824 2.873 -4.568 1.00 0.00 C ATOM 266 C PHE A 21 12.059 2.933 -5.468 1.00 0.00 C ATOM 267 O PHE A 21 13.188 2.845 -4.987 1.00 0.00 O ATOM 268 CB PHE A 21 11.103 3.662 -3.287 1.00 0.00 C ATOM 269 CG PHE A 21 11.455 5.132 -3.526 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.812 5.836 -4.495 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.410 5.734 -2.768 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.139 7.200 -4.717 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.737 7.098 -2.989 1.00 0.00 C ATOM 274 CZ PHE A 21 12.094 7.802 -3.959 1.00 0.00 C ATOM 0 H PHE A 21 11.078 1.168 -3.375 1.00 0.00 H new ATOM 0 HA PHE A 21 9.982 3.284 -5.124 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.226 3.609 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.923 3.185 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.053 5.358 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.920 5.175 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.629 7.759 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.496 7.576 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.342 8.840 -4.127 1.00 0.00 H new ATOM 284 N LYS A 22 11.804 3.082 -6.760 1.00 0.00 N ATOM 285 CA LYS A 22 12.881 3.154 -7.732 1.00 0.00 C ATOM 286 C LYS A 22 13.600 1.805 -7.792 1.00 0.00 C ATOM 287 O LYS A 22 13.196 0.915 -8.538 1.00 0.00 O ATOM 288 CB LYS A 22 13.807 4.332 -7.419 1.00 0.00 C ATOM 289 CG LYS A 22 13.234 5.641 -7.966 1.00 0.00 C ATOM 290 CD LYS A 22 14.195 6.805 -7.719 1.00 0.00 C ATOM 291 CE LYS A 22 14.097 7.299 -6.274 1.00 0.00 C ATOM 292 NZ LYS A 22 13.975 8.774 -6.237 1.00 0.00 N ATOM 0 H LYS A 22 10.867 3.155 -7.156 1.00 0.00 H new ATOM 0 HA LYS A 22 12.483 3.347 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.945 4.414 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.790 4.152 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.045 5.541 -9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.275 5.849 -7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.217 6.489 -7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.966 7.622 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.235 6.845 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.980 6.987 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.175 9.041 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.851 9.185 -5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.813 9.133 -7.199 1.00 0.00 H new ATOM 306 N ASN A 23 14.655 1.697 -6.997 1.00 0.00 N ATOM 307 CA ASN A 23 15.434 0.471 -6.950 1.00 0.00 C ATOM 308 C ASN A 23 15.431 -0.075 -5.521 1.00 0.00 C ATOM 309 O ASN A 23 15.987 -1.141 -5.259 1.00 0.00 O ATOM 310 CB ASN A 23 16.887 0.727 -7.355 1.00 0.00 C ATOM 311 CG ASN A 23 17.763 -0.490 -7.050 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.487 -0.535 -6.069 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.658 -1.470 -7.943 1.00 0.00 N ATOM 0 H ASN A 23 14.988 2.438 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 23 14.986 -0.241 -7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.937 0.958 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.269 1.598 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.203 -2.325 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.032 -1.367 -8.742 1.00 0.00 H new ATOM 320 N GLU A 24 14.799 0.679 -4.634 1.00 0.00 N ATOM 321 CA GLU A 24 14.716 0.284 -3.238 1.00 0.00 C ATOM 322 C GLU A 24 13.445 -0.532 -2.992 1.00 0.00 C ATOM 323 O GLU A 24 12.354 -0.119 -3.381 1.00 0.00 O ATOM 324 CB GLU A 24 14.771 1.505 -2.318 1.00 0.00 C ATOM 325 CG GLU A 24 16.207 2.012 -2.164 1.00 0.00 C ATOM 326 CD GLU A 24 16.761 2.503 -3.504 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.098 3.375 -4.106 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.834 1.995 -3.894 1.00 0.00 O ATOM 0 H GLU A 24 14.339 1.562 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 24 15.577 -0.343 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.143 2.298 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.366 1.246 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.234 2.823 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.839 1.213 -1.776 1.00 0.00 H new ATOM 335 N ILE A 25 13.629 -1.674 -2.347 1.00 0.00 N ATOM 336 CA ILE A 25 12.511 -2.551 -2.044 1.00 0.00 C ATOM 337 C ILE A 25 12.390 -2.710 -0.527 1.00 0.00 C ATOM 338 O ILE A 25 13.390 -2.901 0.163 1.00 0.00 O ATOM 339 CB ILE A 25 12.653 -3.878 -2.792 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.563 -3.667 -4.305 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.630 -4.901 -2.294 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.478 -4.641 -5.050 1.00 0.00 C ATOM 0 H ILE A 25 14.536 -2.013 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 25 11.577 -2.112 -2.395 1.00 0.00 H new ATOM 0 HB ILE A 25 13.642 -4.284 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.533 -3.806 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.841 -2.642 -4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.753 -5.835 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.784 -5.082 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.623 -4.516 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.395 -4.470 -6.123 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.510 -4.483 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.182 -5.665 -4.822 1.00 0.00 H new ATOM 354 N GLN A 26 11.156 -2.625 -0.052 1.00 0.00 N ATOM 355 CA GLN A 26 10.890 -2.757 1.370 1.00 0.00 C ATOM 356 C GLN A 26 9.618 -3.576 1.599 1.00 0.00 C ATOM 357 O GLN A 26 8.856 -3.819 0.665 1.00 0.00 O ATOM 358 CB GLN A 26 10.787 -1.385 2.039 1.00 0.00 C ATOM 359 CG GLN A 26 12.063 -1.057 2.817 1.00 0.00 C ATOM 360 CD GLN A 26 11.735 -0.367 4.142 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.743 -0.968 5.204 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.446 0.926 4.022 1.00 0.00 N ATOM 0 H GLN A 26 10.329 -2.466 -0.627 1.00 0.00 H new ATOM 0 HA GLN A 26 11.726 -3.286 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.611 -0.620 1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.931 -1.369 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.622 -1.973 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.704 -0.412 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.457 1.368 3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.213 1.475 4.849 1.00 0.00 H new ATOM 371 N SER A 27 9.428 -3.977 2.847 1.00 0.00 N ATOM 372 CA SER A 27 8.261 -4.763 3.211 1.00 0.00 C ATOM 373 C SER A 27 7.732 -4.315 4.575 1.00 0.00 C ATOM 374 O SER A 27 8.484 -4.255 5.547 1.00 0.00 O ATOM 375 CB SER A 27 8.588 -6.258 3.233 1.00 0.00 C ATOM 376 OG SER A 27 7.839 -6.953 4.226 1.00 0.00 O ATOM 0 H SER A 27 10.062 -3.773 3.619 1.00 0.00 H new ATOM 0 HA SER A 27 7.490 -4.599 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.380 -6.689 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.653 -6.394 3.421 1.00 0.00 H new ATOM 0 HG SER A 27 8.075 -7.904 4.207 1.00 0.00 H new ATOM 382 N PHE A 28 6.443 -4.012 4.604 1.00 0.00 N ATOM 383 CA PHE A 28 5.805 -3.571 5.833 1.00 0.00 C ATOM 384 C PHE A 28 4.608 -4.460 6.179 1.00 0.00 C ATOM 385 O PHE A 28 3.604 -4.459 5.468 1.00 0.00 O ATOM 386 CB PHE A 28 5.312 -2.143 5.594 1.00 0.00 C ATOM 387 CG PHE A 28 6.407 -1.176 5.138 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.233 -0.602 6.053 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.553 -0.889 3.816 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.248 0.295 5.630 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.568 0.009 3.393 1.00 0.00 C ATOM 392 CZ PHE A 28 8.394 0.582 4.308 1.00 0.00 C ATOM 0 H PHE A 28 5.823 -4.063 3.796 1.00 0.00 H new ATOM 0 HA PHE A 28 6.514 -3.624 6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.523 -2.163 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.867 -1.764 6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.116 -0.829 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.897 -1.344 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.904 0.750 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.684 0.237 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.166 1.265 3.986 1.00 0.00 H new ATOM 402 N LEU A 29 4.755 -5.197 7.270 1.00 0.00 N ATOM 403 CA LEU A 29 3.698 -6.088 7.719 1.00 0.00 C ATOM 404 C LEU A 29 2.590 -5.265 8.380 1.00 0.00 C ATOM 405 O LEU A 29 2.864 -4.414 9.225 1.00 0.00 O ATOM 406 CB LEU A 29 4.269 -7.186 8.618 1.00 0.00 C ATOM 407 CG LEU A 29 3.275 -8.245 9.098 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.004 -9.279 8.004 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.752 -8.896 10.398 1.00 0.00 C ATOM 0 H LEU A 29 5.590 -5.196 7.856 1.00 0.00 H new ATOM 0 HA LEU A 29 3.249 -6.605 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.072 -7.688 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.718 -6.715 9.492 1.00 0.00 H new ATOM 0 HG LEU A 29 2.328 -7.751 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.294 -10.020 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.588 -8.781 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.936 -9.773 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.027 -9.645 10.717 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.718 -9.373 10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.851 -8.134 11.171 1.00 0.00 H new ATOM 421 N VAL A 30 1.362 -5.549 7.971 1.00 0.00 N ATOM 422 CA VAL A 30 0.212 -4.847 8.514 1.00 0.00 C ATOM 423 C VAL A 30 -0.726 -5.853 9.184 1.00 0.00 C ATOM 424 O VAL A 30 -1.634 -6.382 8.544 1.00 0.00 O ATOM 425 CB VAL A 30 -0.472 -4.034 7.413 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.444 -3.013 8.008 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.561 -3.349 6.515 1.00 0.00 C ATOM 0 H VAL A 30 1.139 -6.256 7.270 1.00 0.00 H new ATOM 0 HA VAL A 30 0.525 -4.136 9.279 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.048 -4.724 6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.916 -2.449 7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.209 -3.532 8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.900 -2.329 8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.048 -2.778 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.176 -2.678 7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.195 -4.103 6.049 1.00 0.00 H new ATOM 437 N SER A 31 -0.473 -6.089 10.463 1.00 0.00 N ATOM 438 CA SER A 31 -1.283 -7.023 11.226 1.00 0.00 C ATOM 439 C SER A 31 -2.726 -6.521 11.305 1.00 0.00 C ATOM 440 O SER A 31 -3.625 -7.263 11.699 1.00 0.00 O ATOM 441 CB SER A 31 -0.714 -7.224 12.632 1.00 0.00 C ATOM 442 OG SER A 31 -1.263 -6.300 13.568 1.00 0.00 O ATOM 0 H SER A 31 0.282 -5.649 10.990 1.00 0.00 H new ATOM 0 HA SER A 31 -1.267 -7.986 10.715 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.920 -8.242 12.964 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.370 -7.111 12.604 1.00 0.00 H new ATOM 0 HG SER A 31 -0.876 -6.462 14.453 1.00 0.00 H new ATOM 448 N ASP A 32 -2.904 -5.265 10.922 1.00 0.00 N ATOM 449 CA ASP A 32 -4.223 -4.655 10.944 1.00 0.00 C ATOM 450 C ASP A 32 -4.474 -3.945 9.613 1.00 0.00 C ATOM 451 O ASP A 32 -4.500 -2.716 9.556 1.00 0.00 O ATOM 452 CB ASP A 32 -4.331 -3.616 12.062 1.00 0.00 C ATOM 453 CG ASP A 32 -3.501 -3.921 13.311 1.00 0.00 C ATOM 454 OD1 ASP A 32 -3.559 -5.086 13.761 1.00 0.00 O ATOM 455 OD2 ASP A 32 -2.827 -2.982 13.787 1.00 0.00 O ATOM 0 H ASP A 32 -2.157 -4.653 10.595 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.956 -5.444 11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.024 -2.647 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.378 -3.525 12.353 1.00 0.00 H new ATOM 460 N PRO A 33 -4.657 -4.769 8.547 1.00 0.00 N ATOM 461 CA PRO A 33 -4.904 -4.233 7.219 1.00 0.00 C ATOM 462 C PRO A 33 -6.335 -3.704 7.100 1.00 0.00 C ATOM 463 O PRO A 33 -6.556 -2.610 6.582 1.00 0.00 O ATOM 464 CB PRO A 33 -4.615 -5.383 6.269 1.00 0.00 C ATOM 465 CG PRO A 33 -4.668 -6.645 7.115 1.00 0.00 C ATOM 466 CD PRO A 33 -4.632 -6.229 8.577 1.00 0.00 C ATOM 0 HA PRO A 33 -4.272 -3.376 6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.351 -5.420 5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.637 -5.267 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.575 -7.210 6.901 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.825 -7.296 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.486 -6.629 9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.735 -6.600 9.072 1.00 0.00 H new ATOM 474 N GLU A 34 -7.271 -4.506 7.588 1.00 0.00 N ATOM 475 CA GLU A 34 -8.674 -4.132 7.542 1.00 0.00 C ATOM 476 C GLU A 34 -9.029 -3.254 8.744 1.00 0.00 C ATOM 477 O GLU A 34 -10.204 -3.020 9.020 1.00 0.00 O ATOM 478 CB GLU A 34 -9.570 -5.371 7.486 1.00 0.00 C ATOM 479 CG GLU A 34 -9.323 -6.168 6.203 1.00 0.00 C ATOM 480 CD GLU A 34 -9.419 -7.673 6.465 1.00 0.00 C ATOM 481 OE1 GLU A 34 -10.534 -8.119 6.810 1.00 0.00 O ATOM 482 OE2 GLU A 34 -8.374 -8.342 6.314 1.00 0.00 O ATOM 0 H GLU A 34 -7.085 -5.413 8.017 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.847 -3.557 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.378 -6.003 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.616 -5.070 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.052 -5.880 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.337 -5.927 5.805 1.00 0.00 H new ATOM 489 N ASN A 35 -7.991 -2.791 9.425 1.00 0.00 N ATOM 490 CA ASN A 35 -8.178 -1.944 10.590 1.00 0.00 C ATOM 491 C ASN A 35 -7.481 -0.602 10.357 1.00 0.00 C ATOM 492 O ASN A 35 -8.113 0.451 10.429 1.00 0.00 O ATOM 493 CB ASN A 35 -7.569 -2.582 11.840 1.00 0.00 C ATOM 494 CG ASN A 35 -8.606 -2.699 12.958 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.430 -2.202 14.058 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.696 -3.381 12.616 1.00 0.00 N ATOM 0 H ASN A 35 -7.017 -2.987 9.192 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.249 -1.810 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.180 -3.570 11.595 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.725 -1.984 12.183 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.448 -3.514 13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.780 -3.771 11.677 1.00 0.00 H new ATOM 503 N THR A 36 -6.188 -0.683 10.082 1.00 0.00 N ATOM 504 CA THR A 36 -5.398 0.512 9.837 1.00 0.00 C ATOM 505 C THR A 36 -6.052 1.371 8.754 1.00 0.00 C ATOM 506 O THR A 36 -7.083 0.996 8.198 1.00 0.00 O ATOM 507 CB THR A 36 -3.974 0.074 9.488 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.188 1.241 9.711 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.799 -0.214 7.995 1.00 0.00 C ATOM 0 H THR A 36 -5.667 -1.558 10.023 1.00 0.00 H new ATOM 0 HA THR A 36 -5.351 1.144 10.724 1.00 0.00 H new ATOM 0 HB THR A 36 -3.717 -0.817 10.062 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.249 1.046 9.510 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.771 -0.521 7.802 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.478 -1.013 7.696 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.023 0.686 7.422 1.00 0.00 H new ATOM 517 N THR A 37 -5.426 2.508 8.486 1.00 0.00 N ATOM 518 CA THR A 37 -5.934 3.423 7.479 1.00 0.00 C ATOM 519 C THR A 37 -4.865 3.699 6.421 1.00 0.00 C ATOM 520 O THR A 37 -3.671 3.661 6.714 1.00 0.00 O ATOM 521 CB THR A 37 -6.423 4.686 8.192 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.251 5.213 8.807 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.352 4.372 9.367 1.00 0.00 C ATOM 0 H THR A 37 -4.571 2.816 8.949 1.00 0.00 H new ATOM 0 HA THR A 37 -6.776 2.989 6.940 1.00 0.00 H new ATOM 0 HB THR A 37 -6.943 5.327 7.480 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.477 6.035 9.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.670 5.302 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.226 3.831 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.822 3.759 10.096 1.00 0.00 H new ATOM 531 N TRP A 38 -5.332 3.970 5.211 1.00 0.00 N ATOM 532 CA TRP A 38 -4.430 4.252 4.106 1.00 0.00 C ATOM 533 C TRP A 38 -3.525 5.414 4.520 1.00 0.00 C ATOM 534 O TRP A 38 -2.332 5.414 4.219 1.00 0.00 O ATOM 535 CB TRP A 38 -5.210 4.531 2.820 1.00 0.00 C ATOM 536 CG TRP A 38 -4.355 5.100 1.685 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.521 6.255 1.027 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.187 4.488 1.099 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.549 6.432 0.063 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.712 5.324 0.109 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.552 3.269 1.396 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.583 5.031 -0.665 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.425 2.991 0.613 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.934 3.821 -0.388 1.00 0.00 C ATOM 0 H TRP A 38 -6.323 4.000 4.971 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.806 3.386 3.886 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.676 3.605 2.482 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.016 5.231 3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.315 6.959 1.226 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.461 7.229 -0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.906 2.600 2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.231 5.702 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.900 2.066 0.800 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.057 3.535 -0.949 1.00 0.00 H new ATOM 555 N ALA A 39 -4.126 6.376 5.204 1.00 0.00 N ATOM 556 CA ALA A 39 -3.389 7.541 5.663 1.00 0.00 C ATOM 557 C ALA A 39 -2.189 7.085 6.496 1.00 0.00 C ATOM 558 O ALA A 39 -1.109 7.667 6.406 1.00 0.00 O ATOM 559 CB ALA A 39 -4.326 8.464 6.445 1.00 0.00 C ATOM 0 H ALA A 39 -5.115 6.373 5.452 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.005 8.110 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.772 9.338 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.144 8.784 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.730 7.929 7.304 1.00 0.00 H new ATOM 565 N ASP A 40 -2.420 6.049 7.289 1.00 0.00 N ATOM 566 CA ASP A 40 -1.372 5.508 8.138 1.00 0.00 C ATOM 567 C ASP A 40 -0.287 4.877 7.263 1.00 0.00 C ATOM 568 O ASP A 40 0.900 4.980 7.569 1.00 0.00 O ATOM 569 CB ASP A 40 -1.921 4.423 9.067 1.00 0.00 C ATOM 570 CG ASP A 40 -2.021 4.823 10.540 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.114 6.044 10.792 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.002 3.899 11.381 1.00 0.00 O ATOM 0 H ASP A 40 -3.318 5.570 7.362 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.968 6.325 8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.912 4.133 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.284 3.542 8.988 1.00 0.00 H new ATOM 577 N ILE A 41 -0.734 4.239 6.191 1.00 0.00 N ATOM 578 CA ILE A 41 0.184 3.592 5.269 1.00 0.00 C ATOM 579 C ILE A 41 0.976 4.659 4.511 1.00 0.00 C ATOM 580 O ILE A 41 2.204 4.696 4.586 1.00 0.00 O ATOM 581 CB ILE A 41 -0.569 2.621 4.357 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.451 1.674 5.173 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.399 1.861 3.447 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.621 0.549 5.794 1.00 0.00 C ATOM 0 H ILE A 41 -1.719 4.156 5.941 1.00 0.00 H new ATOM 0 HA ILE A 41 0.907 2.986 5.814 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.230 3.201 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.959 2.232 5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.224 1.249 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.162 1.178 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.947 2.570 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.102 1.294 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.273 -0.109 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.133 -0.022 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.135 0.976 6.453 1.00 0.00 H new ATOM 596 N GLU A 42 0.242 5.501 3.799 1.00 0.00 N ATOM 597 CA GLU A 42 0.861 6.565 3.028 1.00 0.00 C ATOM 598 C GLU A 42 2.054 7.147 3.789 1.00 0.00 C ATOM 599 O GLU A 42 3.193 7.049 3.334 1.00 0.00 O ATOM 600 CB GLU A 42 -0.155 7.656 2.685 1.00 0.00 C ATOM 601 CG GLU A 42 0.301 8.470 1.472 1.00 0.00 C ATOM 602 CD GLU A 42 -0.854 8.690 0.494 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.774 9.451 0.864 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.792 8.093 -0.602 1.00 0.00 O ATOM 0 H GLU A 42 -0.776 5.468 3.740 1.00 0.00 H new ATOM 0 HA GLU A 42 1.223 6.144 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.125 7.203 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.287 8.317 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.691 9.433 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.116 7.951 0.967 1.00 0.00 H new ATOM 611 N ALA A 43 1.752 7.741 4.934 1.00 0.00 N ATOM 612 CA ALA A 43 2.785 8.339 5.763 1.00 0.00 C ATOM 613 C ALA A 43 3.911 7.325 5.977 1.00 0.00 C ATOM 614 O ALA A 43 5.065 7.594 5.646 1.00 0.00 O ATOM 615 CB ALA A 43 2.171 8.815 7.081 1.00 0.00 C ATOM 0 H ALA A 43 0.806 7.821 5.307 1.00 0.00 H new ATOM 0 HA ALA A 43 3.215 9.211 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.946 9.263 7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.397 9.555 6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.732 7.966 7.605 1.00 0.00 H new ATOM 621 N MET A 44 3.536 6.180 6.528 1.00 0.00 N ATOM 622 CA MET A 44 4.500 5.125 6.790 1.00 0.00 C ATOM 623 C MET A 44 5.523 5.022 5.656 1.00 0.00 C ATOM 624 O MET A 44 6.715 5.234 5.870 1.00 0.00 O ATOM 625 CB MET A 44 3.768 3.790 6.939 1.00 0.00 C ATOM 626 CG MET A 44 4.630 2.772 7.689 1.00 0.00 C ATOM 627 SD MET A 44 3.595 1.516 8.421 1.00 0.00 S ATOM 628 CE MET A 44 3.044 0.671 6.949 1.00 0.00 C ATOM 0 H MET A 44 2.578 5.960 6.800 1.00 0.00 H new ATOM 0 HA MET A 44 5.030 5.364 7.712 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.831 3.943 7.474 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.512 3.400 5.954 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.344 2.313 7.005 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.209 3.274 8.464 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.455 -0.202 7.230 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.431 1.345 6.350 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.909 0.353 6.366 1.00 0.00 H new ATOM 638 N VAL A 45 5.018 4.697 4.475 1.00 0.00 N ATOM 639 CA VAL A 45 5.873 4.564 3.307 1.00 0.00 C ATOM 640 C VAL A 45 6.640 5.870 3.091 1.00 0.00 C ATOM 641 O VAL A 45 7.836 5.851 2.806 1.00 0.00 O ATOM 642 CB VAL A 45 5.039 4.152 2.093 1.00 0.00 C ATOM 643 CG1 VAL A 45 5.911 4.043 0.840 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.294 2.842 2.358 1.00 0.00 C ATOM 0 H VAL A 45 4.028 4.522 4.302 1.00 0.00 H new ATOM 0 HA VAL A 45 6.610 3.776 3.460 1.00 0.00 H new ATOM 0 HB VAL A 45 4.296 4.930 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.293 3.749 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.374 5.008 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.687 3.295 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.709 2.572 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.013 2.051 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.629 2.968 3.212 1.00 0.00 H new ATOM 654 N LYS A 46 5.919 6.973 3.233 1.00 0.00 N ATOM 655 CA LYS A 46 6.517 8.285 3.056 1.00 0.00 C ATOM 656 C LYS A 46 7.693 8.440 4.024 1.00 0.00 C ATOM 657 O LYS A 46 8.848 8.461 3.603 1.00 0.00 O ATOM 658 CB LYS A 46 5.458 9.380 3.196 1.00 0.00 C ATOM 659 CG LYS A 46 4.502 9.374 2.001 1.00 0.00 C ATOM 660 CD LYS A 46 3.341 10.346 2.223 1.00 0.00 C ATOM 661 CE LYS A 46 3.846 11.693 2.744 1.00 0.00 C ATOM 662 NZ LYS A 46 3.700 11.768 4.214 1.00 0.00 N ATOM 0 H LYS A 46 4.927 6.985 3.469 1.00 0.00 H new ATOM 0 HA LYS A 46 6.918 8.388 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.895 9.231 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.944 10.353 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.044 9.649 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.114 8.367 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.801 10.493 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.635 9.918 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.892 11.827 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.287 12.503 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.547 12.757 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.886 11.193 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.564 11.407 4.667 1.00 0.00 H new ATOM 676 N VAL A 47 7.357 8.544 5.301 1.00 0.00 N ATOM 677 CA VAL A 47 8.370 8.696 6.331 1.00 0.00 C ATOM 678 C VAL A 47 9.417 7.591 6.178 1.00 0.00 C ATOM 679 O VAL A 47 10.616 7.853 6.250 1.00 0.00 O ATOM 680 CB VAL A 47 7.713 8.711 7.713 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.649 9.806 7.803 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.121 7.342 8.053 1.00 0.00 C ATOM 0 H VAL A 47 6.397 8.526 5.646 1.00 0.00 H new ATOM 0 HA VAL A 47 8.886 9.650 6.221 1.00 0.00 H new ATOM 0 HB VAL A 47 8.486 8.934 8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.198 9.794 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.111 10.777 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.879 9.628 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.660 7.380 9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.368 7.077 7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.912 6.593 8.051 1.00 0.00 H new ATOM 692 N SER A 48 8.924 6.379 5.970 1.00 0.00 N ATOM 693 CA SER A 48 9.802 5.233 5.806 1.00 0.00 C ATOM 694 C SER A 48 10.899 5.555 4.790 1.00 0.00 C ATOM 695 O SER A 48 12.028 5.082 4.919 1.00 0.00 O ATOM 696 CB SER A 48 9.017 3.996 5.365 1.00 0.00 C ATOM 697 OG SER A 48 8.252 3.440 6.432 1.00 0.00 O ATOM 0 H SER A 48 7.928 6.166 5.911 1.00 0.00 H new ATOM 0 HA SER A 48 10.261 5.014 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.352 4.262 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.709 3.244 4.985 1.00 0.00 H new ATOM 0 HG SER A 48 7.592 4.097 6.738 1.00 0.00 H new ATOM 703 N PHE A 49 10.530 6.357 3.802 1.00 0.00 N ATOM 704 CA PHE A 49 11.469 6.748 2.765 1.00 0.00 C ATOM 705 C PHE A 49 11.666 8.265 2.747 1.00 0.00 C ATOM 706 O PHE A 49 12.140 8.821 1.757 1.00 0.00 O ATOM 707 CB PHE A 49 10.867 6.308 1.428 1.00 0.00 C ATOM 708 CG PHE A 49 11.006 4.811 1.146 1.00 0.00 C ATOM 709 CD1 PHE A 49 10.091 3.937 1.645 1.00 0.00 C ATOM 710 CD2 PHE A 49 12.043 4.354 0.395 1.00 0.00 C ATOM 711 CE1 PHE A 49 10.220 2.548 1.383 1.00 0.00 C ATOM 712 CE2 PHE A 49 12.172 2.964 0.133 1.00 0.00 C ATOM 713 CZ PHE A 49 11.257 2.090 0.633 1.00 0.00 C ATOM 0 H PHE A 49 9.593 6.747 3.698 1.00 0.00 H new ATOM 0 HA PHE A 49 12.439 6.285 2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.810 6.574 1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.348 6.865 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.266 4.300 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.769 5.048 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.494 1.854 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.996 2.601 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.355 1.033 0.434 1.00 0.00 H new ATOM 723 N ASP A 50 11.294 8.891 3.854 1.00 0.00 N ATOM 724 CA ASP A 50 11.424 10.333 3.978 1.00 0.00 C ATOM 725 C ASP A 50 10.985 10.995 2.670 1.00 0.00 C ATOM 726 O ASP A 50 11.816 11.306 1.818 1.00 0.00 O ATOM 727 CB ASP A 50 12.876 10.734 4.246 1.00 0.00 C ATOM 728 CG ASP A 50 13.138 11.323 5.633 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.217 11.230 6.473 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.254 11.854 5.822 1.00 0.00 O ATOM 0 H ASP A 50 10.903 8.426 4.673 1.00 0.00 H new ATOM 0 HA ASP A 50 10.800 10.657 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.510 9.857 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.181 11.463 3.495 1.00 0.00 H new ATOM 735 N LEU A 51 9.680 11.191 2.553 1.00 0.00 N ATOM 736 CA LEU A 51 9.120 11.810 1.364 1.00 0.00 C ATOM 737 C LEU A 51 7.990 12.758 1.771 1.00 0.00 C ATOM 738 O LEU A 51 7.271 12.495 2.734 1.00 0.00 O ATOM 739 CB LEU A 51 8.693 10.743 0.354 1.00 0.00 C ATOM 740 CG LEU A 51 9.765 9.723 -0.038 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.150 8.547 -0.799 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.894 10.390 -0.826 1.00 0.00 C ATOM 0 H LEU A 51 8.994 10.932 3.262 1.00 0.00 H new ATOM 0 HA LEU A 51 9.875 12.412 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.839 10.204 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.349 11.244 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 51 10.205 9.321 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.933 7.837 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.411 8.052 -0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.667 8.913 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.642 9.643 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.489 10.838 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.356 11.165 -0.214 1.00 0.00 H new ATOM 754 N ASN A 52 7.869 13.841 1.018 1.00 0.00 N ATOM 755 CA ASN A 52 6.839 14.830 1.289 1.00 0.00 C ATOM 756 C ASN A 52 5.566 14.455 0.527 1.00 0.00 C ATOM 757 O ASN A 52 4.470 14.496 1.085 1.00 0.00 O ATOM 758 CB ASN A 52 7.275 16.221 0.824 1.00 0.00 C ATOM 759 CG ASN A 52 7.321 17.201 1.998 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.361 17.380 2.729 1.00 0.00 O ATOM 761 ND2 ASN A 52 8.488 17.824 2.137 1.00 0.00 N ATOM 0 H ASN A 52 8.467 14.056 0.220 1.00 0.00 H new ATOM 0 HA ASN A 52 6.663 14.848 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.258 16.161 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.584 16.588 0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.620 18.498 2.891 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.251 17.628 1.490 1.00 0.00 H new ATOM 768 N THR A 53 5.753 14.097 -0.735 1.00 0.00 N ATOM 769 CA THR A 53 4.633 13.715 -1.578 1.00 0.00 C ATOM 770 C THR A 53 4.981 12.469 -2.394 1.00 0.00 C ATOM 771 O THR A 53 5.969 12.459 -3.127 1.00 0.00 O ATOM 772 CB THR A 53 4.257 14.921 -2.440 1.00 0.00 C ATOM 773 OG1 THR A 53 5.512 15.473 -2.831 1.00 0.00 O ATOM 774 CG2 THR A 53 3.595 16.038 -1.630 1.00 0.00 C ATOM 0 H THR A 53 6.663 14.063 -1.194 1.00 0.00 H new ATOM 0 HA THR A 53 3.763 13.441 -0.981 1.00 0.00 H new ATOM 0 HB THR A 53 3.583 14.602 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.112 14.752 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.349 16.869 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.684 15.660 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.281 16.381 -0.855 1.00 0.00 H new ATOM 782 N ILE A 54 4.150 11.448 -2.240 1.00 0.00 N ATOM 783 CA ILE A 54 4.358 10.200 -2.955 1.00 0.00 C ATOM 784 C ILE A 54 3.028 9.730 -3.548 1.00 0.00 C ATOM 785 O ILE A 54 1.964 10.191 -3.139 1.00 0.00 O ATOM 786 CB ILE A 54 5.025 9.167 -2.044 1.00 0.00 C ATOM 787 CG1 ILE A 54 3.993 8.477 -1.150 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.155 9.800 -1.232 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.652 7.409 -0.274 1.00 0.00 C ATOM 0 H ILE A 54 3.332 11.460 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 54 5.045 10.347 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 54 5.473 8.397 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.501 9.217 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.220 8.020 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.612 9.044 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.907 10.205 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.753 10.603 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.896 6.934 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.122 6.658 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.408 7.874 0.360 1.00 0.00 H new ATOM 801 N GLN A 55 3.132 8.818 -4.503 1.00 0.00 N ATOM 802 CA GLN A 55 1.951 8.280 -5.157 1.00 0.00 C ATOM 803 C GLN A 55 2.053 6.757 -5.268 1.00 0.00 C ATOM 804 O GLN A 55 2.072 6.212 -6.371 1.00 0.00 O ATOM 805 CB GLN A 55 1.748 8.918 -6.532 1.00 0.00 C ATOM 806 CG GLN A 55 0.264 8.961 -6.902 1.00 0.00 C ATOM 807 CD GLN A 55 -0.491 9.963 -6.026 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.436 11.165 -6.226 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.196 9.403 -5.048 1.00 0.00 N ATOM 0 H GLN A 55 4.016 8.438 -4.840 1.00 0.00 H new ATOM 0 HA GLN A 55 1.080 8.522 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.156 9.929 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.298 8.352 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.155 9.235 -7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.172 7.969 -6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.198 8.389 -4.937 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.735 9.987 -4.409 1.00 0.00 H new ATOM 818 N ILE A 56 2.117 6.114 -4.112 1.00 0.00 N ATOM 819 CA ILE A 56 2.217 4.665 -4.066 1.00 0.00 C ATOM 820 C ILE A 56 1.339 4.063 -5.165 1.00 0.00 C ATOM 821 O ILE A 56 0.344 4.663 -5.568 1.00 0.00 O ATOM 822 CB ILE A 56 1.886 4.150 -2.664 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.897 4.665 -1.637 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.784 2.623 -2.651 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.211 4.994 -0.309 1.00 0.00 C ATOM 0 H ILE A 56 2.102 6.570 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 56 3.240 4.347 -4.264 1.00 0.00 H new ATOM 0 HB ILE A 56 0.909 4.541 -2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.670 3.914 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.393 5.555 -2.024 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.548 2.283 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.997 2.305 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.734 2.192 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.952 5.358 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.455 5.762 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.737 4.096 0.088 1.00 0.00 H new ATOM 837 N LYS A 57 1.741 2.884 -5.619 1.00 0.00 N ATOM 838 CA LYS A 57 1.003 2.194 -6.663 1.00 0.00 C ATOM 839 C LYS A 57 1.227 0.687 -6.528 1.00 0.00 C ATOM 840 O LYS A 57 2.359 0.213 -6.609 1.00 0.00 O ATOM 841 CB LYS A 57 1.377 2.750 -8.039 1.00 0.00 C ATOM 842 CG LYS A 57 0.687 4.092 -8.294 1.00 0.00 C ATOM 843 CD LYS A 57 0.338 4.257 -9.774 1.00 0.00 C ATOM 844 CE LYS A 57 0.216 5.736 -10.147 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.043 5.983 -10.884 1.00 0.00 N ATOM 0 H LYS A 57 2.568 2.390 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.067 2.369 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.458 2.875 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.092 2.037 -8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.220 4.158 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.339 4.906 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.106 3.786 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.600 3.745 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.242 6.348 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.067 6.034 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.317 6.981 -10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.903 5.767 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.795 5.375 -10.501 1.00 0.00 H new ATOM 859 N TYR A 58 0.128 -0.026 -6.326 1.00 0.00 N ATOM 860 CA TYR A 58 0.190 -1.470 -6.179 1.00 0.00 C ATOM 861 C TYR A 58 -0.391 -2.172 -7.408 1.00 0.00 C ATOM 862 O TYR A 58 -1.354 -1.691 -8.004 1.00 0.00 O ATOM 863 CB TYR A 58 -0.671 -1.807 -4.960 1.00 0.00 C ATOM 864 CG TYR A 58 -2.172 -1.855 -5.252 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.737 -3.002 -5.773 1.00 0.00 C ATOM 866 CD2 TYR A 58 -2.961 -0.753 -4.995 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.150 -3.047 -6.048 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.374 -0.798 -5.270 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.898 -1.943 -5.783 1.00 0.00 C ATOM 870 OH TYR A 58 -6.233 -1.986 -6.043 1.00 0.00 O ATOM 0 H TYR A 58 -0.810 0.370 -6.261 1.00 0.00 H new ATOM 0 HA TYR A 58 1.223 -1.800 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.358 -2.772 -4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.486 -1.067 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.120 -3.865 -5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.519 0.144 -4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.605 -3.938 -6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.003 0.058 -5.073 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.641 -1.127 -5.804 1.00 0.00 H new ATOM 880 N LEU A 59 0.218 -3.297 -7.750 1.00 0.00 N ATOM 881 CA LEU A 59 -0.227 -4.070 -8.898 1.00 0.00 C ATOM 882 C LEU A 59 -1.481 -4.861 -8.520 1.00 0.00 C ATOM 883 O LEU A 59 -1.517 -5.512 -7.477 1.00 0.00 O ATOM 884 CB LEU A 59 0.912 -4.941 -9.431 1.00 0.00 C ATOM 885 CG LEU A 59 1.898 -4.252 -10.377 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.840 -5.269 -11.024 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.159 -3.411 -11.421 1.00 0.00 C ATOM 0 H LEU A 59 1.016 -3.692 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.503 -3.408 -9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.470 -5.335 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.477 -5.795 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 59 2.514 -3.570 -9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.530 -4.753 -11.691 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.404 -5.787 -10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.258 -5.993 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.882 -2.932 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.503 -4.054 -12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.565 -2.648 -10.919 1.00 0.00 H new ATOM 899 N ASP A 60 -2.478 -4.778 -9.388 1.00 0.00 N ATOM 900 CA ASP A 60 -3.731 -5.478 -9.158 1.00 0.00 C ATOM 901 C ASP A 60 -3.668 -6.857 -9.818 1.00 0.00 C ATOM 902 O ASP A 60 -2.604 -7.290 -10.258 1.00 0.00 O ATOM 903 CB ASP A 60 -4.908 -4.715 -9.768 1.00 0.00 C ATOM 904 CG ASP A 60 -4.800 -4.455 -11.272 1.00 0.00 C ATOM 905 OD1 ASP A 60 -3.737 -4.797 -11.832 1.00 0.00 O ATOM 906 OD2 ASP A 60 -5.784 -3.920 -11.827 1.00 0.00 O ATOM 0 H ASP A 60 -2.444 -4.237 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.877 -5.564 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.823 -5.275 -9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.006 -3.758 -9.255 1.00 0.00 H new ATOM 911 N GLU A 61 -4.821 -7.507 -9.866 1.00 0.00 N ATOM 912 CA GLU A 61 -4.910 -8.828 -10.465 1.00 0.00 C ATOM 913 C GLU A 61 -4.622 -8.751 -11.966 1.00 0.00 C ATOM 914 O GLU A 61 -4.491 -9.779 -12.630 1.00 0.00 O ATOM 915 CB GLU A 61 -6.279 -9.458 -10.202 1.00 0.00 C ATOM 916 CG GLU A 61 -6.362 -10.016 -8.779 1.00 0.00 C ATOM 917 CD GLU A 61 -6.676 -11.513 -8.795 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.771 -11.858 -9.289 1.00 0.00 O ATOM 919 OE2 GLU A 61 -5.814 -12.279 -8.312 1.00 0.00 O ATOM 0 H GLU A 61 -5.701 -7.144 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.157 -9.466 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.061 -8.713 -10.350 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.460 -10.257 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.418 -9.844 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.133 -9.485 -8.221 1.00 0.00 H new ATOM 926 N GLU A 62 -4.531 -7.524 -12.456 1.00 0.00 N ATOM 927 CA GLU A 62 -4.260 -7.300 -13.866 1.00 0.00 C ATOM 928 C GLU A 62 -2.788 -6.939 -14.073 1.00 0.00 C ATOM 929 O GLU A 62 -2.335 -6.787 -15.207 1.00 0.00 O ATOM 930 CB GLU A 62 -5.176 -6.214 -14.434 1.00 0.00 C ATOM 931 CG GLU A 62 -6.629 -6.447 -14.015 1.00 0.00 C ATOM 932 CD GLU A 62 -7.496 -6.813 -15.221 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.674 -5.925 -16.082 1.00 0.00 O ATOM 934 OE2 GLU A 62 -7.961 -7.973 -15.255 1.00 0.00 O ATOM 0 H GLU A 62 -4.640 -6.674 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.467 -8.223 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.846 -5.236 -14.085 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.104 -6.205 -15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.674 -7.246 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.022 -5.549 -13.539 1.00 0.00 H new ATOM 941 N ASN A 63 -2.080 -6.812 -12.960 1.00 0.00 N ATOM 942 CA ASN A 63 -0.669 -6.472 -13.005 1.00 0.00 C ATOM 943 C ASN A 63 -0.515 -5.004 -13.408 1.00 0.00 C ATOM 944 O ASN A 63 0.504 -4.617 -13.979 1.00 0.00 O ATOM 945 CB ASN A 63 0.071 -7.326 -14.036 1.00 0.00 C ATOM 946 CG ASN A 63 1.361 -7.901 -13.448 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.353 -8.822 -12.649 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.467 -7.307 -13.888 1.00 0.00 N ATOM 0 H ASN A 63 -2.458 -6.939 -12.021 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.247 -6.654 -12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.574 -8.138 -14.371 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.304 -6.722 -14.913 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.380 -7.618 -13.556 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.402 -6.541 -14.558 1.00 0.00 H new ATOM 955 N GLU A 64 -1.541 -4.227 -13.097 1.00 0.00 N ATOM 956 CA GLU A 64 -1.533 -2.810 -13.420 1.00 0.00 C ATOM 957 C GLU A 64 -1.348 -1.977 -12.150 1.00 0.00 C ATOM 958 O GLU A 64 -2.057 -2.176 -11.165 1.00 0.00 O ATOM 959 CB GLU A 64 -2.812 -2.409 -14.158 1.00 0.00 C ATOM 960 CG GLU A 64 -3.861 -1.870 -13.184 1.00 0.00 C ATOM 961 CD GLU A 64 -5.243 -1.822 -13.838 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.491 -2.688 -14.704 1.00 0.00 O ATOM 963 OE2 GLU A 64 -6.020 -0.920 -13.457 1.00 0.00 O ATOM 0 H GLU A 64 -2.385 -4.552 -12.624 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.692 -2.613 -14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.582 -1.651 -14.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.214 -3.271 -14.691 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.897 -2.501 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.576 -0.871 -12.853 1.00 0.00 H new ATOM 970 N GLU A 65 -0.392 -1.062 -12.215 1.00 0.00 N ATOM 971 CA GLU A 65 -0.105 -0.198 -11.082 1.00 0.00 C ATOM 972 C GLU A 65 -1.352 0.598 -10.693 1.00 0.00 C ATOM 973 O GLU A 65 -1.889 1.352 -11.502 1.00 0.00 O ATOM 974 CB GLU A 65 1.068 0.735 -11.388 1.00 0.00 C ATOM 975 CG GLU A 65 2.405 0.039 -11.126 1.00 0.00 C ATOM 976 CD GLU A 65 3.556 1.048 -11.120 1.00 0.00 C ATOM 977 OE1 GLU A 65 4.006 1.402 -12.231 1.00 0.00 O ATOM 978 OE2 GLU A 65 3.960 1.441 -10.005 1.00 0.00 O ATOM 0 H GLU A 65 0.194 -0.900 -13.034 1.00 0.00 H new ATOM 0 HA GLU A 65 0.182 -0.823 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.019 1.057 -12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.994 1.632 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.367 -0.481 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.582 -0.716 -11.892 1.00 0.00 H new ATOM 985 N VAL A 66 -1.777 0.402 -9.453 1.00 0.00 N ATOM 986 CA VAL A 66 -2.950 1.093 -8.946 1.00 0.00 C ATOM 987 C VAL A 66 -2.550 1.962 -7.753 1.00 0.00 C ATOM 988 O VAL A 66 -2.016 1.459 -6.765 1.00 0.00 O ATOM 989 CB VAL A 66 -4.047 0.081 -8.607 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.286 0.782 -8.046 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.404 -0.770 -9.828 1.00 0.00 C ATOM 0 H VAL A 66 -1.330 -0.226 -8.785 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.361 1.756 -9.707 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.661 -0.585 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.050 0.040 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.018 1.324 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.674 1.483 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.186 -1.481 -9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.761 -0.124 -10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.520 -1.312 -10.165 1.00 0.00 H new ATOM 1001 N SER A 67 -2.823 3.252 -7.883 1.00 0.00 N ATOM 1002 CA SER A 67 -2.498 4.196 -6.828 1.00 0.00 C ATOM 1003 C SER A 67 -3.664 4.303 -5.844 1.00 0.00 C ATOM 1004 O SER A 67 -4.825 4.291 -6.248 1.00 0.00 O ATOM 1005 CB SER A 67 -2.162 5.573 -7.405 1.00 0.00 C ATOM 1006 OG SER A 67 -3.328 6.368 -7.603 1.00 0.00 O ATOM 0 H SER A 67 -3.266 3.666 -8.704 1.00 0.00 H new ATOM 0 HA SER A 67 -1.618 3.829 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.480 6.092 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.641 5.451 -8.355 1.00 0.00 H new ATOM 0 HG SER A 67 -3.071 7.239 -7.971 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.314 4.406 -4.570 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.317 4.515 -3.525 1.00 0.00 C ATOM 1014 C ILE A 68 -4.403 5.969 -3.056 1.00 0.00 C ATOM 1015 O ILE A 68 -3.387 6.654 -2.956 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.027 3.521 -2.398 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.987 2.087 -2.928 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.030 3.682 -1.254 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.543 1.111 -1.837 1.00 0.00 C ATOM 0 H ILE A 68 -2.350 4.416 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.300 4.246 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.039 3.742 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.974 1.804 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.303 2.027 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.802 2.964 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.965 4.694 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.039 3.503 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.523 0.099 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.546 1.383 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.243 1.155 -1.002 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.627 6.397 -2.780 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.858 7.757 -2.324 1.00 0.00 C ATOM 1033 C ASN A 69 -6.632 7.723 -1.004 1.00 0.00 C ATOM 1034 O ASN A 69 -6.299 8.446 -0.066 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.690 8.544 -3.339 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.794 9.400 -4.235 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.693 10.607 -4.086 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.150 8.711 -5.173 1.00 0.00 N ATOM 0 H ASN A 69 -6.468 5.826 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.889 8.240 -2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.271 7.854 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.402 9.182 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.527 9.192 -5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.279 7.702 -5.243 1.00 0.00 H new ATOM 1045 N SER A 70 -7.650 6.875 -0.973 1.00 0.00 N ATOM 1046 CA SER A 70 -8.473 6.737 0.216 1.00 0.00 C ATOM 1047 C SER A 70 -8.387 5.306 0.749 1.00 0.00 C ATOM 1048 O SER A 70 -7.730 4.455 0.150 1.00 0.00 O ATOM 1049 CB SER A 70 -9.928 7.108 -0.075 1.00 0.00 C ATOM 1050 OG SER A 70 -10.440 8.045 0.869 1.00 0.00 O ATOM 0 H SER A 70 -7.923 6.277 -1.753 1.00 0.00 H new ATOM 0 HA SER A 70 -8.096 7.424 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.001 7.528 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.541 6.207 -0.061 1.00 0.00 H new ATOM 0 HG SER A 70 -11.371 8.257 0.647 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.060 5.084 1.869 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.068 3.770 2.489 1.00 0.00 C ATOM 1058 C GLN A 71 -9.684 2.739 1.541 1.00 0.00 C ATOM 1059 O GLN A 71 -9.069 1.715 1.246 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.811 3.799 3.826 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.856 2.407 4.459 1.00 0.00 C ATOM 1062 CD GLN A 71 -8.846 2.292 5.603 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -8.943 2.959 6.620 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -7.874 1.412 5.380 1.00 0.00 N ATOM 0 H GLN A 71 -9.603 5.792 2.363 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.037 3.479 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.318 4.495 4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.826 4.166 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.860 2.206 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.641 1.652 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.852 0.886 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.150 1.263 6.083 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.892 3.045 1.090 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.598 2.158 0.181 1.00 0.00 C ATOM 1075 C GLY A 72 -10.640 1.548 -0.845 1.00 0.00 C ATOM 1076 O GLY A 72 -10.633 0.334 -1.047 1.00 0.00 O ATOM 0 H GLY A 72 -11.399 3.895 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.084 1.363 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.384 2.710 -0.334 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.856 2.417 -1.465 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.897 1.979 -2.464 1.00 0.00 C ATOM 1082 C GLU A 73 -7.924 0.965 -1.858 1.00 0.00 C ATOM 1083 O GLU A 73 -7.639 -0.066 -2.465 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.145 3.170 -3.062 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.959 3.828 -4.178 1.00 0.00 C ATOM 1086 CD GLU A 73 -8.070 4.708 -5.060 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.204 4.128 -5.749 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -8.278 5.940 -5.025 1.00 0.00 O ATOM 0 H GLU A 73 -9.865 3.423 -1.295 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.442 1.492 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.934 3.901 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.184 2.838 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.435 3.060 -4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.757 4.430 -3.744 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.442 1.294 -0.669 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.507 0.425 0.026 1.00 0.00 C ATOM 1097 C TYR A 74 -7.175 -0.894 0.422 1.00 0.00 C ATOM 1098 O TYR A 74 -6.646 -1.969 0.147 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.096 1.175 1.294 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.112 0.408 2.180 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.179 -0.433 1.607 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.158 0.557 3.551 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.254 -1.155 2.441 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.232 -0.165 4.385 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.326 -0.985 3.789 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.451 -1.667 4.576 1.00 0.00 O ATOM 0 H TYR A 74 -7.681 2.150 -0.169 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.657 0.187 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.648 2.127 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.990 1.403 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.143 -0.549 0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.888 1.215 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.519 -1.817 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.257 -0.057 5.459 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.941 -2.122 5.292 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.329 -0.767 1.062 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.074 -1.935 1.499 1.00 0.00 C ATOM 1118 C GLU A 75 -9.081 -3.001 0.402 1.00 0.00 C ATOM 1119 O GLU A 75 -8.522 -4.082 0.579 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.500 -1.555 1.903 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.504 -0.731 3.192 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.362 -1.399 4.268 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.584 -1.137 4.264 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -10.777 -2.158 5.070 1.00 0.00 O ATOM 0 H GLU A 75 -8.766 0.127 1.288 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.580 -2.349 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.969 -0.985 1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.095 -2.458 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.483 -0.615 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.885 0.269 2.987 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.720 -2.660 -0.707 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.806 -3.575 -1.833 1.00 0.00 C ATOM 1133 C GLU A 76 -8.451 -4.240 -2.082 1.00 0.00 C ATOM 1134 O GLU A 76 -8.372 -5.458 -2.233 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.303 -2.855 -3.088 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.826 -2.713 -3.073 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.504 -4.066 -3.299 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.133 -4.728 -4.293 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.378 -4.408 -2.474 1.00 0.00 O ATOM 0 H GLU A 76 -10.183 -1.763 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.530 -4.352 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.843 -1.869 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.995 -3.408 -3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.147 -2.296 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.137 -2.012 -3.848 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.418 -3.410 -2.117 1.00 0.00 N ATOM 1147 CA ALA A 77 -6.071 -3.902 -2.345 1.00 0.00 C ATOM 1148 C ALA A 77 -5.739 -4.971 -1.301 1.00 0.00 C ATOM 1149 O ALA A 77 -5.175 -6.013 -1.632 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.087 -2.731 -2.314 1.00 0.00 C ATOM 0 H ALA A 77 -7.488 -2.400 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.994 -4.366 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.076 -3.101 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.348 -2.015 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.134 -2.242 -1.341 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.103 -4.675 -0.062 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.851 -5.597 1.032 1.00 0.00 C ATOM 1158 C LEU A 78 -6.559 -6.923 0.749 1.00 0.00 C ATOM 1159 O LEU A 78 -6.066 -7.986 1.123 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.244 -4.963 2.368 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.233 -3.985 2.970 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.834 -3.240 4.163 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.931 -4.699 3.337 1.00 0.00 C ATOM 0 H LEU A 78 -6.570 -3.810 0.208 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.786 -5.814 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.191 -4.439 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.420 -5.762 3.089 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.989 -3.238 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.095 -2.551 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.711 -2.680 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.126 -3.957 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.230 -3.981 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.138 -5.481 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.496 -5.145 2.442 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.704 -6.817 0.091 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.485 -7.995 -0.246 1.00 0.00 C ATOM 1177 C LYS A 79 -7.733 -8.816 -1.296 1.00 0.00 C ATOM 1178 O LYS A 79 -7.744 -10.045 -1.253 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.899 -7.597 -0.674 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.513 -6.607 0.318 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.990 -6.360 0.003 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.836 -6.399 1.277 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.844 -7.480 1.197 1.00 0.00 N ATOM 0 H LYS A 79 -8.110 -5.934 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.610 -8.632 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.870 -7.151 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.526 -8.486 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.414 -6.994 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.967 -5.664 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.105 -5.392 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.347 -7.114 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.193 -6.557 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.333 -5.440 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.410 -7.493 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.468 -7.313 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.363 -8.395 1.083 1.00 0.00 H new ATOM 1197 N MET A 80 -7.099 -8.103 -2.216 1.00 0.00 N ATOM 1198 CA MET A 80 -6.344 -8.751 -3.275 1.00 0.00 C ATOM 1199 C MET A 80 -5.052 -9.364 -2.732 1.00 0.00 C ATOM 1200 O MET A 80 -4.657 -10.453 -3.144 1.00 0.00 O ATOM 1201 CB MET A 80 -6.006 -7.726 -4.360 1.00 0.00 C ATOM 1202 CG MET A 80 -6.192 -8.325 -5.756 1.00 0.00 C ATOM 1203 SD MET A 80 -5.408 -7.283 -6.976 1.00 0.00 S ATOM 1204 CE MET A 80 -3.698 -7.713 -6.698 1.00 0.00 C ATOM 0 H MET A 80 -7.093 -7.084 -2.250 1.00 0.00 H new ATOM 0 HA MET A 80 -6.955 -9.551 -3.694 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.644 -6.849 -4.249 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.977 -7.389 -4.239 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.763 -9.326 -5.791 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.254 -8.425 -5.979 1.00 0.00 H new ATOM 0 HE1 MET A 80 -3.144 -6.825 -6.394 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.635 -8.466 -5.913 1.00 0.00 H new ATOM 0 HE3 MET A 80 -3.269 -8.111 -7.618 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.431 -8.638 -1.814 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.192 -9.098 -1.210 1.00 0.00 C ATOM 1216 C ALA A 81 -3.391 -10.512 -0.660 1.00 0.00 C ATOM 1217 O ALA A 81 -2.488 -11.344 -0.736 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.754 -8.108 -0.128 1.00 0.00 C ATOM 0 H ALA A 81 -4.762 -7.735 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.396 -9.143 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.825 -8.452 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.598 -7.126 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.527 -8.039 0.637 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.579 -10.741 -0.120 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.908 -12.040 0.441 1.00 0.00 C ATOM 1226 C VAL A 82 -4.920 -13.085 -0.676 1.00 0.00 C ATOM 1227 O VAL A 82 -4.452 -14.207 -0.487 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.234 -11.961 1.201 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.615 -13.325 1.781 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.175 -10.896 2.297 1.00 0.00 C ATOM 0 H VAL A 82 -5.326 -10.049 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.152 -12.346 1.164 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.010 -11.670 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.561 -13.241 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.718 -14.048 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.837 -13.658 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.130 -10.860 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.382 -11.144 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.971 -9.924 1.849 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.460 -12.680 -1.816 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.539 -13.568 -2.964 1.00 0.00 C ATOM 1242 C LYS A 83 -4.131 -14.026 -3.347 1.00 0.00 C ATOM 1243 O LYS A 83 -3.893 -15.216 -3.544 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.301 -12.897 -4.108 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.669 -12.397 -3.639 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.493 -11.868 -4.814 1.00 0.00 C ATOM 1247 CE LYS A 83 -8.842 -12.993 -5.790 1.00 0.00 C ATOM 1248 NZ LYS A 83 -9.578 -14.072 -5.095 1.00 0.00 N ATOM 0 H LYS A 83 -5.847 -11.749 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.108 -14.464 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.719 -12.062 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.430 -13.604 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.208 -13.208 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.537 -11.608 -2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.408 -11.407 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.933 -11.091 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.447 -12.599 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.930 -13.394 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.094 -14.645 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.905 -14.675 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.253 -13.655 -4.423 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.233 -13.056 -3.442 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.855 -13.344 -3.799 1.00 0.00 C ATOM 1264 C GLN A 84 -1.227 -14.289 -2.772 1.00 0.00 C ATOM 1265 O GLN A 84 -0.890 -15.427 -3.094 1.00 0.00 O ATOM 1266 CB GLN A 84 -1.040 -12.055 -3.927 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.860 -10.954 -4.604 1.00 0.00 C ATOM 1268 CD GLN A 84 -1.047 -10.259 -5.698 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.362 -10.884 -6.490 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -1.160 -8.934 -5.696 1.00 0.00 N ATOM 0 H GLN A 84 -3.434 -12.070 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.848 -13.837 -4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.722 -11.722 -2.939 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.136 -12.248 -4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.765 -11.382 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.177 -10.222 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.751 -8.474 -5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.655 -8.378 -6.386 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.089 -13.782 -1.555 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.509 -14.566 -0.479 1.00 0.00 C ATOM 1281 C GLY A 85 -0.274 -13.704 0.763 1.00 0.00 C ATOM 1282 O GLY A 85 0.749 -13.840 1.433 1.00 0.00 O ATOM 0 H GLY A 85 -1.369 -12.837 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.172 -15.395 -0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.435 -15.000 -0.809 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.238 -12.835 1.032 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.149 -11.951 2.181 1.00 0.00 C ATOM 1288 C ASN A 86 -0.034 -10.929 1.948 1.00 0.00 C ATOM 1289 O ASN A 86 0.630 -10.503 2.892 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.814 -12.732 3.453 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.555 -14.071 3.485 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.176 -15.035 2.842 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.630 -14.075 4.268 1.00 0.00 N ATOM 0 H ASN A 86 -2.084 -12.725 0.474 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.114 -11.459 2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.261 -12.906 3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.084 -12.142 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.193 -14.921 4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.892 -13.232 4.779 1.00 0.00 H new ATOM 1300 N GLN A 87 0.137 -10.565 0.685 1.00 0.00 N ATOM 1301 CA GLN A 87 1.159 -9.601 0.316 1.00 0.00 C ATOM 1302 C GLN A 87 0.682 -8.744 -0.858 1.00 0.00 C ATOM 1303 O GLN A 87 -0.192 -9.158 -1.618 1.00 0.00 O ATOM 1304 CB GLN A 87 2.478 -10.301 -0.017 1.00 0.00 C ATOM 1305 CG GLN A 87 2.342 -11.155 -1.279 1.00 0.00 C ATOM 1306 CD GLN A 87 2.919 -10.430 -2.496 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.686 -9.489 -2.384 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.508 -10.921 -3.663 1.00 0.00 N ATOM 0 H GLN A 87 -0.415 -10.921 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 87 1.338 -8.946 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.262 -9.558 -0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.782 -10.929 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.859 -12.104 -1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.291 -11.387 -1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.864 -11.712 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.837 -10.506 -4.535 1.00 0.00 H new ATOM 1317 N LEU A 88 1.276 -7.565 -0.969 1.00 0.00 N ATOM 1318 CA LEU A 88 0.922 -6.647 -2.038 1.00 0.00 C ATOM 1319 C LEU A 88 2.182 -5.927 -2.524 1.00 0.00 C ATOM 1320 O LEU A 88 2.960 -5.417 -1.719 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.190 -5.700 -1.584 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.921 -4.942 -2.695 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.570 -5.912 -3.684 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.934 -3.956 -2.111 1.00 0.00 C ATOM 0 H LEU A 88 2.000 -7.224 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 88 0.517 -7.193 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.924 -6.277 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.239 -4.972 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.187 -4.358 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.083 -5.348 -4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.802 -6.539 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.289 -6.541 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.439 -3.431 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.669 -4.499 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.417 -3.235 -1.478 1.00 0.00 H new ATOM 1336 N GLN A 89 2.345 -5.910 -3.839 1.00 0.00 N ATOM 1337 CA GLN A 89 3.497 -5.262 -4.442 1.00 0.00 C ATOM 1338 C GLN A 89 3.186 -3.793 -4.736 1.00 0.00 C ATOM 1339 O GLN A 89 2.542 -3.479 -5.735 1.00 0.00 O ATOM 1340 CB GLN A 89 3.936 -5.994 -5.712 1.00 0.00 C ATOM 1341 CG GLN A 89 5.344 -6.571 -5.554 1.00 0.00 C ATOM 1342 CD GLN A 89 6.406 -5.489 -5.758 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.318 -4.390 -5.235 1.00 0.00 O ATOM 1344 NE2 GLN A 89 7.411 -5.860 -6.546 1.00 0.00 N ATOM 0 H GLN A 89 1.698 -6.335 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 89 4.325 -5.304 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.233 -6.797 -5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.914 -5.307 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.452 -7.009 -4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.495 -7.374 -6.275 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.422 -6.796 -6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.170 -5.209 -6.745 1.00 0.00 H new ATOM 1353 N MET A 90 3.659 -2.932 -3.846 1.00 0.00 N ATOM 1354 CA MET A 90 3.440 -1.504 -3.997 1.00 0.00 C ATOM 1355 C MET A 90 4.705 -0.805 -4.499 1.00 0.00 C ATOM 1356 O MET A 90 5.817 -1.215 -4.170 1.00 0.00 O ATOM 1357 CB MET A 90 3.025 -0.905 -2.651 1.00 0.00 C ATOM 1358 CG MET A 90 1.767 -1.588 -2.112 1.00 0.00 C ATOM 1359 SD MET A 90 1.652 -1.349 -0.347 1.00 0.00 S ATOM 1360 CE MET A 90 0.352 -0.127 -0.284 1.00 0.00 C ATOM 0 H MET A 90 4.193 -3.196 -3.018 1.00 0.00 H new ATOM 0 HA MET A 90 2.649 -1.353 -4.731 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.838 -1.015 -1.934 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.843 0.164 -2.765 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.883 -1.179 -2.601 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.794 -2.653 -2.342 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.579 0.606 0.491 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.278 0.376 -1.248 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.595 -0.615 -0.056 1.00 0.00 H new ATOM 1370 N GLN A 91 4.493 0.239 -5.288 1.00 0.00 N ATOM 1371 CA GLN A 91 5.602 0.999 -5.838 1.00 0.00 C ATOM 1372 C GLN A 91 5.439 2.485 -5.516 1.00 0.00 C ATOM 1373 O GLN A 91 4.464 3.111 -5.929 1.00 0.00 O ATOM 1374 CB GLN A 91 5.724 0.775 -7.347 1.00 0.00 C ATOM 1375 CG GLN A 91 6.415 -0.556 -7.650 1.00 0.00 C ATOM 1376 CD GLN A 91 6.426 -0.839 -9.153 1.00 0.00 C ATOM 1377 OE1 GLN A 91 7.228 -0.311 -9.905 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.492 -1.700 -9.548 1.00 0.00 N ATOM 0 H GLN A 91 3.569 0.576 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 91 6.524 0.647 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.733 0.786 -7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.289 1.592 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.438 -0.533 -7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.901 -1.363 -7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.851 -2.106 -8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.416 -1.954 -10.533 1.00 0.00 H new ATOM 1387 N VAL A 92 6.409 3.008 -4.780 1.00 0.00 N ATOM 1388 CA VAL A 92 6.386 4.410 -4.397 1.00 0.00 C ATOM 1389 C VAL A 92 6.682 5.274 -5.624 1.00 0.00 C ATOM 1390 O VAL A 92 7.558 4.945 -6.423 1.00 0.00 O ATOM 1391 CB VAL A 92 7.361 4.654 -3.244 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.962 6.059 -3.322 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.682 4.422 -1.893 1.00 0.00 C ATOM 0 H VAL A 92 7.216 2.486 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 92 5.398 4.690 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 92 8.176 3.936 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.652 6.206 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.499 6.173 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.164 6.800 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.397 4.602 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.839 5.105 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.325 3.394 -1.837 1.00 0.00 H new ATOM 1403 N HIS A 93 5.935 6.362 -5.736 1.00 0.00 N ATOM 1404 CA HIS A 93 6.107 7.276 -6.853 1.00 0.00 C ATOM 1405 C HIS A 93 6.010 8.720 -6.354 1.00 0.00 C ATOM 1406 O HIS A 93 4.913 9.256 -6.204 1.00 0.00 O ATOM 1407 CB HIS A 93 5.106 6.966 -7.968 1.00 0.00 C ATOM 1408 CG HIS A 93 5.512 5.812 -8.853 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.541 5.899 -9.774 1.00 0.00 N ATOM 1410 CD2 HIS A 93 5.017 4.544 -8.948 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.651 4.732 -10.390 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.706 3.893 -9.877 1.00 0.00 N ATOM 0 H HIS A 93 5.209 6.632 -5.072 1.00 0.00 H new ATOM 0 HA HIS A 93 7.098 7.143 -7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.137 6.745 -7.521 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.977 7.856 -8.584 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.203 4.139 -8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.364 4.487 -11.163 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.554 2.925 -10.160 1.00 0.00 H new ATOM 1420 N GLU A 94 7.172 9.307 -6.111 1.00 0.00 N ATOM 1421 CA GLU A 94 7.232 10.678 -5.632 1.00 0.00 C ATOM 1422 C GLU A 94 6.355 11.582 -6.500 1.00 0.00 C ATOM 1423 O GLU A 94 6.177 11.324 -7.690 1.00 0.00 O ATOM 1424 CB GLU A 94 8.675 11.184 -5.598 1.00 0.00 C ATOM 1425 CG GLU A 94 9.125 11.460 -4.162 1.00 0.00 C ATOM 1426 CD GLU A 94 9.174 12.964 -3.882 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.474 13.710 -4.839 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.910 13.333 -2.718 1.00 0.00 O ATOM 0 H GLU A 94 8.080 8.859 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 94 6.849 10.703 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.334 10.445 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.759 12.095 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.440 10.979 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.110 11.023 -3.995 1.00 0.00 H new