USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 826 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 Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.82 K(o=-1.8,f=-4!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -8.04! C(o=-8!,f=-11!) USER MOD Single : A 25 THR OG1 : rot -35:sc= 1.24 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.865 K(o=-0.87,f=-2.1!) USER MOD Single : A 54 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-0.034) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000621) USER MOD Single : A 62 GLN : amide:sc= -0.778 K(o=-0.78,f=-2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 80:sc= 1.12 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 92 HIS : no HE2:sc= -2.77! K(o=-2.8!,f=-1.4) USER MOD Single : A 95 LYS NZ :NH3+ -147:sc= -0.103 (180deg=-1.8!) USER MOD Single : A 97 ASN : amide:sc= -0.423 K(o=-0.42,f=-11!) USER MOD Single : A 98 LYS NZ :NH3+ -132:sc= 1.15 (180deg=-0.789) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.4!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.146 -4.937 10.467 1.00 0.00 N ATOM 143 CA ASN A 13 -10.675 -5.624 9.295 1.00 0.00 C ATOM 144 C ASN A 13 -9.766 -5.419 8.088 1.00 0.00 C ATOM 145 O ASN A 13 -10.235 -5.153 6.982 1.00 0.00 O ATOM 146 CB ASN A 13 -12.085 -5.121 8.977 1.00 0.00 C ATOM 147 CG ASN A 13 -13.045 -5.321 10.134 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.559 -6.420 10.345 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.291 -4.257 10.890 1.00 0.00 N ATOM 0 HA ASN A 13 -10.718 -6.690 9.518 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.041 -4.062 8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.465 -5.643 8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.929 -4.331 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.842 -3.366 10.678 1.00 0.00 H new ATOM 156 N GLY A 14 -8.460 -5.546 8.308 1.00 0.00 N ATOM 157 CA GLY A 14 -7.505 -5.372 7.229 1.00 0.00 C ATOM 158 C GLY A 14 -6.807 -6.665 6.859 1.00 0.00 C ATOM 159 O GLY A 14 -7.401 -7.741 6.927 1.00 0.00 O ATOM 0 H GLY A 14 -8.047 -5.766 9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.019 -4.977 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.761 -4.632 7.523 1.00 0.00 H new ATOM 163 N ALA A 15 -5.542 -6.561 6.465 1.00 0.00 N ATOM 164 CA ALA A 15 -4.763 -7.732 6.083 1.00 0.00 C ATOM 165 C ALA A 15 -3.295 -7.561 6.460 1.00 0.00 C ATOM 166 O ALA A 15 -2.629 -6.635 5.998 1.00 0.00 O ATOM 167 CB ALA A 15 -4.898 -7.992 4.590 1.00 0.00 C ATOM 0 H ALA A 15 -5.035 -5.678 6.402 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.154 -8.591 6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.311 -8.869 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.946 -8.166 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.534 -7.127 4.036 1.00 0.00 H new ATOM 173 N ASP A 16 -2.798 -8.460 7.303 1.00 0.00 N ATOM 174 CA ASP A 16 -1.408 -8.408 7.743 1.00 0.00 C ATOM 175 C ASP A 16 -0.488 -9.057 6.713 1.00 0.00 C ATOM 176 O ASP A 16 -0.460 -10.281 6.574 1.00 0.00 O ATOM 177 CB ASP A 16 -1.253 -9.105 9.095 1.00 0.00 C ATOM 178 CG ASP A 16 0.160 -9.602 9.332 1.00 0.00 C ATOM 179 OD1 ASP A 16 1.111 -8.895 8.939 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.314 -10.698 9.910 1.00 0.00 O ATOM 0 H ASP A 16 -3.336 -9.233 7.695 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.124 -7.361 7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.530 -8.414 9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.944 -9.946 9.148 1.00 0.00 H new ATOM 185 N LEU A 17 0.263 -8.231 5.994 1.00 0.00 N ATOM 186 CA LEU A 17 1.184 -8.724 4.976 1.00 0.00 C ATOM 187 C LEU A 17 2.628 -8.638 5.460 1.00 0.00 C ATOM 188 O LEU A 17 2.980 -7.802 6.293 1.00 0.00 O ATOM 189 CB LEU A 17 1.020 -7.925 3.682 1.00 0.00 C ATOM 190 CG LEU A 17 -0.396 -7.442 3.366 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.354 -6.140 2.582 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.163 -8.507 2.594 1.00 0.00 C ATOM 0 H LEU A 17 0.252 -7.216 6.097 1.00 0.00 H new ATOM 0 HA LEU A 17 0.947 -9.770 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.677 -7.056 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.366 -8.541 2.852 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.915 -7.259 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.371 -5.812 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.156 -5.377 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.183 -6.296 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.169 -8.146 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.646 -8.722 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.225 -9.416 3.192 1.00 0.00 H new ATOM 204 N PRO A 18 3.485 -9.521 4.927 1.00 0.00 N ATOM 205 CA PRO A 18 4.905 -9.563 5.288 1.00 0.00 C ATOM 206 C PRO A 18 5.672 -8.354 4.765 1.00 0.00 C ATOM 207 O PRO A 18 6.757 -8.038 5.252 1.00 0.00 O ATOM 208 CB PRO A 18 5.403 -10.845 4.616 1.00 0.00 C ATOM 209 CG PRO A 18 4.470 -11.063 3.476 1.00 0.00 C ATOM 210 CD PRO A 18 3.133 -10.546 3.930 1.00 0.00 C ATOM 0 HA PRO A 18 5.052 -9.547 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.431 -10.737 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.386 -11.687 5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.811 -10.534 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.412 -12.120 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.564 -10.123 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.523 -11.337 4.365 1.00 0.00 H new ATOM 218 N ASN A 19 5.102 -7.682 3.770 1.00 0.00 N ATOM 219 CA ASN A 19 5.733 -6.507 3.180 1.00 0.00 C ATOM 220 C ASN A 19 5.247 -5.230 3.859 1.00 0.00 C ATOM 221 O ASN A 19 5.977 -4.242 3.942 1.00 0.00 O ATOM 222 CB ASN A 19 5.441 -6.444 1.680 1.00 0.00 C ATOM 223 CG ASN A 19 6.560 -5.781 0.900 1.00 0.00 C ATOM 224 OD1 ASN A 19 7.232 -4.880 1.402 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.765 -6.226 -0.334 1.00 0.00 N ATOM 0 H ASN A 19 4.204 -7.931 3.355 1.00 0.00 H new ATOM 0 HA ASN A 19 6.809 -6.590 3.330 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.286 -7.454 1.300 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.513 -5.896 1.516 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.504 -5.819 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.183 -6.975 -0.709 1.00 0.00 H new ATOM 232 N TYR A 20 4.010 -5.259 4.343 1.00 0.00 N ATOM 233 CA TYR A 20 3.425 -4.103 5.013 1.00 0.00 C ATOM 234 C TYR A 20 2.060 -4.447 5.599 1.00 0.00 C ATOM 235 O TYR A 20 1.471 -5.476 5.268 1.00 0.00 O ATOM 236 CB TYR A 20 3.293 -2.934 4.036 1.00 0.00 C ATOM 237 CG TYR A 20 2.847 -3.349 2.652 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.508 -3.598 2.377 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.765 -3.492 1.619 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.096 -3.978 1.115 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.362 -3.870 0.353 1.00 0.00 C ATOM 242 CZ TYR A 20 2.027 -4.112 0.106 1.00 0.00 C ATOM 243 OH TYR A 20 1.622 -4.490 -1.154 1.00 0.00 O ATOM 0 H TYR A 20 3.393 -6.069 4.284 1.00 0.00 H new ATOM 0 HA TYR A 20 4.088 -3.813 5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.580 -2.214 4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.253 -2.424 3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.776 -3.492 3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.811 -3.304 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.051 -4.169 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.088 -3.975 -0.439 1.00 0.00 H new ATOM 0 HH TYR A 20 2.400 -4.537 -1.748 1.00 0.00 H new ATOM 253 N ARG A 21 1.562 -3.577 6.472 1.00 0.00 N ATOM 254 CA ARG A 21 0.266 -3.788 7.106 1.00 0.00 C ATOM 255 C ARG A 21 -0.671 -2.615 6.833 1.00 0.00 C ATOM 256 O ARG A 21 -0.306 -1.457 7.037 1.00 0.00 O ATOM 257 CB ARG A 21 0.437 -3.977 8.615 1.00 0.00 C ATOM 258 CG ARG A 21 1.256 -2.881 9.277 1.00 0.00 C ATOM 259 CD ARG A 21 1.882 -3.362 10.576 1.00 0.00 C ATOM 260 NE ARG A 21 2.722 -2.337 11.191 1.00 0.00 N ATOM 261 CZ ARG A 21 2.241 -1.321 11.900 1.00 0.00 C ATOM 262 NH1 ARG A 21 0.934 -1.196 12.084 1.00 0.00 N ATOM 263 NH2 ARG A 21 3.069 -0.429 12.429 1.00 0.00 N ATOM 0 H ARG A 21 2.036 -2.720 6.756 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.175 -4.690 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.547 -4.016 9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.915 -4.939 8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.039 -2.548 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.619 -2.019 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.095 -3.652 11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.480 -4.253 10.382 1.00 0.00 H new ATOM 0 HE ARG A 21 3.732 -2.405 11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.294 -1.881 11.681 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.568 -0.415 12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.075 -0.523 12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.699 0.350 12.973 1.00 0.00 H new ATOM 277 N TRP A 22 -1.876 -2.923 6.369 1.00 0.00 N ATOM 278 CA TRP A 22 -2.865 -1.893 6.067 1.00 0.00 C ATOM 279 C TRP A 22 -4.248 -2.307 6.556 1.00 0.00 C ATOM 280 O TRP A 22 -4.656 -3.458 6.397 1.00 0.00 O ATOM 281 CB TRP A 22 -2.902 -1.620 4.562 1.00 0.00 C ATOM 282 CG TRP A 22 -3.463 -2.759 3.766 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.767 -3.622 2.969 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.836 -3.156 3.687 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.625 -4.532 2.400 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.900 -4.268 2.825 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.018 -2.682 4.263 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.098 -4.911 2.526 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.207 -3.320 3.965 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.240 -4.425 3.104 1.00 0.00 C ATOM 0 H TRP A 22 -2.193 -3.877 6.193 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.575 -0.980 6.588 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.499 -0.727 4.376 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.892 -1.406 4.214 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.699 -3.594 2.809 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.356 -5.283 1.764 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.002 -1.832 4.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.126 -5.762 1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.126 -2.961 4.403 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.185 -4.903 2.892 1.00 0.00 H new ATOM 301 N THR A 23 -4.968 -1.361 7.152 1.00 0.00 N ATOM 302 CA THR A 23 -6.306 -1.628 7.665 1.00 0.00 C ATOM 303 C THR A 23 -7.348 -0.773 6.953 1.00 0.00 C ATOM 304 O THR A 23 -7.025 0.271 6.387 1.00 0.00 O ATOM 305 CB THR A 23 -6.389 -1.364 9.180 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.791 -0.101 9.491 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.691 -2.467 9.961 1.00 0.00 C ATOM 0 H THR A 23 -4.646 -0.403 7.291 1.00 0.00 H new ATOM 0 HA THR A 23 -6.514 -2.681 7.476 1.00 0.00 H new ATOM 0 HB THR A 23 -7.441 -1.348 9.466 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.850 0.060 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.763 -2.258 11.028 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.168 -3.423 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.642 -2.511 9.670 1.00 0.00 H new ATOM 315 N GLN A 24 -8.598 -1.223 6.987 1.00 0.00 N ATOM 316 CA GLN A 24 -9.688 -0.497 6.345 1.00 0.00 C ATOM 317 C GLN A 24 -10.899 -0.406 7.267 1.00 0.00 C ATOM 318 O GLN A 24 -11.293 -1.391 7.893 1.00 0.00 O ATOM 319 CB GLN A 24 -10.081 -1.181 5.034 1.00 0.00 C ATOM 320 CG GLN A 24 -10.685 -2.562 5.225 1.00 0.00 C ATOM 321 CD GLN A 24 -10.404 -3.489 4.059 1.00 0.00 C ATOM 322 OE1 GLN A 24 -9.980 -3.049 2.989 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.639 -4.781 4.258 1.00 0.00 N ATOM 0 H GLN A 24 -8.881 -2.086 7.452 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.341 0.514 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.796 -0.551 4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.199 -1.264 4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.289 -3.004 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.763 -2.468 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.990 -5.102 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.468 -5.452 3.509 1.00 0.00 H new ATOM 332 N THR A 25 -11.488 0.784 7.347 1.00 0.00 N ATOM 333 CA THR A 25 -12.653 1.005 8.194 1.00 0.00 C ATOM 334 C THR A 25 -13.733 1.783 7.450 1.00 0.00 C ATOM 335 O THR A 25 -13.434 2.661 6.640 1.00 0.00 O ATOM 336 CB THR A 25 -12.278 1.768 9.478 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.849 3.095 9.151 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.174 1.045 10.234 1.00 0.00 C ATOM 0 H THR A 25 -11.177 1.609 6.835 1.00 0.00 H new ATOM 0 HA THR A 25 -13.038 0.022 8.465 1.00 0.00 H new ATOM 0 HB THR A 25 -13.161 1.818 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.358 3.080 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.926 1.603 11.137 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.514 0.046 10.506 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.290 0.968 9.601 1.00 0.00 H new ATOM 346 N LEU A 26 -14.990 1.456 7.731 1.00 0.00 N ATOM 347 CA LEU A 26 -16.116 2.126 7.089 1.00 0.00 C ATOM 348 C LEU A 26 -15.821 3.608 6.881 1.00 0.00 C ATOM 349 O LEU A 26 -16.327 4.226 5.945 1.00 0.00 O ATOM 350 CB LEU A 26 -17.381 1.959 7.932 1.00 0.00 C ATOM 351 CG LEU A 26 -18.239 0.733 7.619 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.319 0.553 8.676 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.860 0.855 6.236 1.00 0.00 C ATOM 0 H LEU A 26 -15.255 0.732 8.399 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.273 1.666 6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.091 1.916 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -17.997 2.850 7.808 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.597 -0.148 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.920 -0.324 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.854 0.419 9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.958 1.436 8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.467 -0.027 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.488 1.745 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.071 0.934 5.488 1.00 0.00 H new ATOM 365 N ALA A 27 -14.998 4.171 7.759 1.00 0.00 N ATOM 366 CA ALA A 27 -14.632 5.579 7.668 1.00 0.00 C ATOM 367 C ALA A 27 -13.570 5.803 6.597 1.00 0.00 C ATOM 368 O ALA A 27 -13.836 6.423 5.567 1.00 0.00 O ATOM 369 CB ALA A 27 -14.139 6.084 9.016 1.00 0.00 C ATOM 0 H ALA A 27 -14.572 3.674 8.541 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.521 6.142 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.869 7.137 8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.929 5.969 9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.266 5.509 9.323 1.00 0.00 H new ATOM 375 N GLU A 28 -12.367 5.296 6.847 1.00 0.00 N ATOM 376 CA GLU A 28 -11.266 5.443 5.903 1.00 0.00 C ATOM 377 C GLU A 28 -10.331 4.238 5.966 1.00 0.00 C ATOM 378 O GLU A 28 -10.494 3.355 6.809 1.00 0.00 O ATOM 379 CB GLU A 28 -10.483 6.725 6.194 1.00 0.00 C ATOM 380 CG GLU A 28 -9.861 6.757 7.580 1.00 0.00 C ATOM 381 CD GLU A 28 -8.546 6.005 7.647 1.00 0.00 C ATOM 382 OE1 GLU A 28 -7.641 6.319 6.846 1.00 0.00 O ATOM 383 OE2 GLU A 28 -8.423 5.102 8.501 1.00 0.00 O ATOM 0 H GLU A 28 -12.130 4.780 7.695 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.687 5.503 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.695 6.837 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.149 7.581 6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.698 7.793 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.559 6.325 8.297 1.00 0.00 H new ATOM 390 N LEU A 29 -9.352 4.209 5.069 1.00 0.00 N ATOM 391 CA LEU A 29 -8.390 3.113 5.021 1.00 0.00 C ATOM 392 C LEU A 29 -6.997 3.594 5.414 1.00 0.00 C ATOM 393 O LEU A 29 -6.522 4.619 4.925 1.00 0.00 O ATOM 394 CB LEU A 29 -8.355 2.501 3.619 1.00 0.00 C ATOM 395 CG LEU A 29 -7.956 1.026 3.541 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.628 0.354 2.354 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.444 0.887 3.450 1.00 0.00 C ATOM 0 H LEU A 29 -9.203 4.932 4.365 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.706 2.352 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.342 2.614 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.659 3.078 3.010 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.292 0.529 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.333 -0.694 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.710 0.422 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.323 0.852 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.178 -0.169 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.085 1.398 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.984 1.332 4.332 1.00 0.00 H new ATOM 409 N ASP A 30 -6.346 2.845 6.297 1.00 0.00 N ATOM 410 CA ASP A 30 -5.005 3.193 6.754 1.00 0.00 C ATOM 411 C ASP A 30 -3.977 2.197 6.226 1.00 0.00 C ATOM 412 O ASP A 30 -4.276 1.016 6.043 1.00 0.00 O ATOM 413 CB ASP A 30 -4.958 3.232 8.282 1.00 0.00 C ATOM 414 CG ASP A 30 -5.564 4.501 8.847 1.00 0.00 C ATOM 415 OD1 ASP A 30 -5.601 5.517 8.121 1.00 0.00 O ATOM 416 OD2 ASP A 30 -6.002 4.479 10.016 1.00 0.00 O ATOM 0 H ASP A 30 -6.725 1.993 6.711 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.760 4.182 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.491 2.369 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.923 3.148 8.613 1.00 0.00 H new ATOM 421 N LEU A 31 -2.764 2.681 5.981 1.00 0.00 N ATOM 422 CA LEU A 31 -1.690 1.835 5.473 1.00 0.00 C ATOM 423 C LEU A 31 -0.378 2.130 6.191 1.00 0.00 C ATOM 424 O LEU A 31 -0.102 3.273 6.555 1.00 0.00 O ATOM 425 CB LEU A 31 -1.520 2.043 3.967 1.00 0.00 C ATOM 426 CG LEU A 31 -0.105 1.850 3.419 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.332 0.401 3.569 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.034 2.282 1.962 1.00 0.00 C ATOM 0 H LEU A 31 -2.500 3.655 6.126 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.959 0.796 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.186 1.354 3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.849 3.052 3.720 1.00 0.00 H new ATOM 0 HG LEU A 31 0.576 2.475 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.341 0.282 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.320 0.125 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.352 -0.244 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.980 2.138 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.727 1.683 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.304 3.335 1.881 1.00 0.00 H new ATOM 440 N ALA A 32 0.429 1.093 6.389 1.00 0.00 N ATOM 441 CA ALA A 32 1.715 1.242 7.059 1.00 0.00 C ATOM 442 C ALA A 32 2.781 0.373 6.401 1.00 0.00 C ATOM 443 O ALA A 32 2.769 -0.850 6.536 1.00 0.00 O ATOM 444 CB ALA A 32 1.584 0.894 8.535 1.00 0.00 C ATOM 0 H ALA A 32 0.215 0.140 6.095 1.00 0.00 H new ATOM 0 HA ALA A 32 2.026 2.283 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.552 1.009 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.859 1.560 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.247 -0.138 8.637 1.00 0.00 H new ATOM 450 N VAL A 33 3.703 1.013 5.688 1.00 0.00 N ATOM 451 CA VAL A 33 4.777 0.298 5.009 1.00 0.00 C ATOM 452 C VAL A 33 6.095 0.447 5.759 1.00 0.00 C ATOM 453 O VAL A 33 6.779 1.467 5.668 1.00 0.00 O ATOM 454 CB VAL A 33 4.961 0.802 3.565 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.105 0.066 2.885 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.669 0.641 2.777 1.00 0.00 C ATOM 0 H VAL A 33 3.727 2.025 5.566 1.00 0.00 H new ATOM 0 HA VAL A 33 4.492 -0.754 4.985 1.00 0.00 H new ATOM 0 HB VAL A 33 5.211 1.862 3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.220 0.435 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.028 0.237 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.888 -1.002 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.816 1.002 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.387 -0.412 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.877 1.217 3.255 1.00 0.00 H new ATOM 466 N PRO A 34 6.464 -0.595 6.519 1.00 0.00 N ATOM 467 CA PRO A 34 7.705 -0.606 7.300 1.00 0.00 C ATOM 468 C PRO A 34 8.945 -0.686 6.416 1.00 0.00 C ATOM 469 O PRO A 34 9.071 -1.587 5.586 1.00 0.00 O ATOM 470 CB PRO A 34 7.575 -1.869 8.155 1.00 0.00 C ATOM 471 CG PRO A 34 6.660 -2.757 7.383 1.00 0.00 C ATOM 472 CD PRO A 34 5.699 -1.844 6.674 1.00 0.00 C ATOM 0 HA PRO A 34 7.829 0.308 7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.545 -2.341 8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.167 -1.640 9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.216 -3.367 6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.131 -3.443 8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.395 -2.251 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.790 -1.689 7.255 1.00 0.00 H new ATOM 480 N PHE A 35 9.859 0.261 6.600 1.00 0.00 N ATOM 481 CA PHE A 35 11.090 0.298 5.818 1.00 0.00 C ATOM 482 C PHE A 35 12.306 0.063 6.709 1.00 0.00 C ATOM 483 O PHE A 35 12.592 0.853 7.609 1.00 0.00 O ATOM 484 CB PHE A 35 11.222 1.642 5.098 1.00 0.00 C ATOM 485 CG PHE A 35 10.341 1.762 3.887 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.558 0.965 2.775 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.297 2.672 3.861 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.750 1.074 1.659 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.485 2.786 2.748 1.00 0.00 C ATOM 490 CZ PHE A 35 8.712 1.985 1.646 1.00 0.00 C ATOM 0 H PHE A 35 9.771 1.013 7.284 1.00 0.00 H new ATOM 0 HA PHE A 35 11.045 -0.500 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.979 2.444 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.260 1.784 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.368 0.250 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.115 3.300 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.930 0.447 0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.675 3.500 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.079 2.071 0.775 1.00 0.00 H new ATOM 500 N ARG A 36 13.020 -1.028 6.451 1.00 0.00 N ATOM 501 CA ARG A 36 14.204 -1.368 7.229 1.00 0.00 C ATOM 502 C ARG A 36 15.289 -0.309 7.059 1.00 0.00 C ATOM 503 O ARG A 36 16.267 -0.516 6.341 1.00 0.00 O ATOM 504 CB ARG A 36 14.742 -2.737 6.806 1.00 0.00 C ATOM 505 CG ARG A 36 15.685 -3.361 7.823 1.00 0.00 C ATOM 506 CD ARG A 36 15.941 -4.828 7.517 1.00 0.00 C ATOM 507 NE ARG A 36 16.583 -5.012 6.218 1.00 0.00 N ATOM 508 CZ ARG A 36 17.894 -4.913 6.026 1.00 0.00 C ATOM 509 NH1 ARG A 36 18.697 -4.632 7.042 1.00 0.00 N ATOM 510 NH2 ARG A 36 18.403 -5.094 4.814 1.00 0.00 N ATOM 0 H ARG A 36 12.798 -1.691 5.709 1.00 0.00 H new ATOM 0 HA ARG A 36 13.919 -1.406 8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.903 -3.412 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.263 -2.635 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.630 -2.818 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.260 -3.265 8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.571 -5.256 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.997 -5.372 7.535 1.00 0.00 H new ATOM 0 HE ARG A 36 15.993 -5.228 5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.309 -4.491 7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 36 19.703 -4.557 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.788 -5.309 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.409 -5.018 4.667 1.00 0.00 H new ATOM 524 N VAL A 37 15.109 0.828 7.725 1.00 0.00 N ATOM 525 CA VAL A 37 16.072 1.920 7.648 1.00 0.00 C ATOM 526 C VAL A 37 16.665 2.226 9.019 1.00 0.00 C ATOM 527 O VAL A 37 16.012 2.037 10.046 1.00 0.00 O ATOM 528 CB VAL A 37 15.426 3.199 7.083 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.932 2.965 5.663 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.291 3.664 7.982 1.00 0.00 C ATOM 0 H VAL A 37 14.305 1.016 8.324 1.00 0.00 H new ATOM 0 HA VAL A 37 16.866 1.596 6.975 1.00 0.00 H new ATOM 0 HB VAL A 37 16.181 3.985 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.479 3.879 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.771 2.683 5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.192 2.165 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.846 4.569 7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.533 2.883 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.679 3.874 8.979 1.00 0.00 H new ATOM 540 N SER A 38 17.906 2.701 9.028 1.00 0.00 N ATOM 541 CA SER A 38 18.589 3.031 10.273 1.00 0.00 C ATOM 542 C SER A 38 18.772 4.540 10.409 1.00 0.00 C ATOM 543 O SER A 38 19.666 5.008 11.115 1.00 0.00 O ATOM 544 CB SER A 38 19.950 2.334 10.333 1.00 0.00 C ATOM 545 OG SER A 38 19.833 1.034 10.885 1.00 0.00 O ATOM 0 H SER A 38 18.459 2.866 8.187 1.00 0.00 H new ATOM 0 HA SER A 38 17.972 2.681 11.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.374 2.270 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.640 2.927 10.934 1.00 0.00 H new ATOM 0 HG SER A 38 20.716 0.609 10.911 1.00 0.00 H new ATOM 551 N PHE A 39 17.918 5.297 9.728 1.00 0.00 N ATOM 552 CA PHE A 39 17.984 6.753 9.771 1.00 0.00 C ATOM 553 C PHE A 39 16.593 7.365 9.635 1.00 0.00 C ATOM 554 O PHE A 39 15.595 6.650 9.543 1.00 0.00 O ATOM 555 CB PHE A 39 18.895 7.276 8.658 1.00 0.00 C ATOM 556 CG PHE A 39 18.433 6.900 7.279 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.611 5.611 6.802 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.820 7.835 6.460 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.188 5.263 5.533 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.394 7.492 5.191 1.00 0.00 C ATOM 561 CZ PHE A 39 17.577 6.204 4.727 1.00 0.00 C ATOM 0 H PHE A 39 17.172 4.926 9.140 1.00 0.00 H new ATOM 0 HA PHE A 39 18.397 7.045 10.737 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.955 8.362 8.729 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.903 6.890 8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.085 4.870 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.674 8.843 6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.335 4.256 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.918 8.230 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.243 5.933 3.736 1.00 0.00 H new ATOM 571 N ARG A 40 16.536 8.693 9.624 1.00 0.00 N ATOM 572 CA ARG A 40 15.268 9.402 9.501 1.00 0.00 C ATOM 573 C ARG A 40 14.926 9.656 8.036 1.00 0.00 C ATOM 574 O ARG A 40 15.618 10.408 7.347 1.00 0.00 O ATOM 575 CB ARG A 40 15.326 10.729 10.260 1.00 0.00 C ATOM 576 CG ARG A 40 13.989 11.156 10.843 1.00 0.00 C ATOM 577 CD ARG A 40 13.856 12.671 10.881 1.00 0.00 C ATOM 578 NE ARG A 40 14.339 13.230 12.141 1.00 0.00 N ATOM 579 CZ ARG A 40 13.600 13.305 13.243 1.00 0.00 C ATOM 580 NH1 ARG A 40 12.351 12.858 13.239 1.00 0.00 N ATOM 581 NH2 ARG A 40 14.109 13.828 14.351 1.00 0.00 N ATOM 0 H ARG A 40 17.353 9.299 9.699 1.00 0.00 H new ATOM 0 HA ARG A 40 14.488 8.777 9.935 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.054 10.645 11.067 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.685 11.508 9.587 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.180 10.733 10.248 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.886 10.755 11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.416 13.105 10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.811 12.947 10.738 1.00 0.00 H new ATOM 0 HE ARG A 40 15.296 13.582 12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.956 12.456 12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.786 12.917 14.086 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.069 14.173 14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.541 13.885 15.196 1.00 0.00 H new ATOM 595 N LEU A 41 13.857 9.024 7.565 1.00 0.00 N ATOM 596 CA LEU A 41 13.423 9.181 6.181 1.00 0.00 C ATOM 597 C LEU A 41 12.834 10.568 5.949 1.00 0.00 C ATOM 598 O LEU A 41 12.238 11.160 6.849 1.00 0.00 O ATOM 599 CB LEU A 41 12.391 8.110 5.825 1.00 0.00 C ATOM 600 CG LEU A 41 12.906 6.671 5.779 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.772 5.708 5.463 1.00 0.00 C ATOM 602 CD2 LEU A 41 14.023 6.536 4.754 1.00 0.00 C ATOM 0 H LEU A 41 13.275 8.398 8.121 1.00 0.00 H new ATOM 0 HA LEU A 41 14.295 9.065 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.579 8.161 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.965 8.354 4.852 1.00 0.00 H new ATOM 0 HG LEU A 41 13.308 6.418 6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.157 4.689 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.005 5.784 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.340 5.960 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.377 5.505 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.647 6.808 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.846 7.198 5.024 1.00 0.00 H new ATOM 614 N LYS A 42 13.002 11.082 4.735 1.00 0.00 N ATOM 615 CA LYS A 42 12.484 12.398 4.382 1.00 0.00 C ATOM 616 C LYS A 42 11.442 12.293 3.273 1.00 0.00 C ATOM 617 O LYS A 42 11.579 11.489 2.353 1.00 0.00 O ATOM 618 CB LYS A 42 13.626 13.316 3.938 1.00 0.00 C ATOM 619 CG LYS A 42 14.716 13.480 4.982 1.00 0.00 C ATOM 620 CD LYS A 42 14.387 14.594 5.961 1.00 0.00 C ATOM 621 CE LYS A 42 15.211 14.478 7.235 1.00 0.00 C ATOM 622 NZ LYS A 42 16.501 15.213 7.130 1.00 0.00 N ATOM 0 H LYS A 42 13.494 10.606 3.978 1.00 0.00 H new ATOM 0 HA LYS A 42 12.007 12.822 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.067 12.917 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.218 14.297 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.845 12.544 5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.664 13.696 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.575 15.560 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.326 14.561 6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.637 14.869 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.408 13.427 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.033 15.110 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.060 14.823 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.313 16.221 6.955 1.00 0.00 H new ATOM 636 N GLY A 43 10.399 13.113 3.368 1.00 0.00 N ATOM 637 CA GLY A 43 9.349 13.097 2.366 1.00 0.00 C ATOM 638 C GLY A 43 9.893 12.945 0.959 1.00 0.00 C ATOM 639 O GLY A 43 9.278 12.294 0.114 1.00 0.00 O ATOM 0 H GLY A 43 10.263 13.788 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.662 12.278 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.774 14.020 2.432 1.00 0.00 H new ATOM 643 N LYS A 44 11.049 13.549 0.705 1.00 0.00 N ATOM 644 CA LYS A 44 11.677 13.479 -0.609 1.00 0.00 C ATOM 645 C LYS A 44 12.306 12.109 -0.839 1.00 0.00 C ATOM 646 O LYS A 44 12.247 11.566 -1.943 1.00 0.00 O ATOM 647 CB LYS A 44 12.740 14.571 -0.748 1.00 0.00 C ATOM 648 CG LYS A 44 13.827 14.499 0.311 1.00 0.00 C ATOM 649 CD LYS A 44 14.536 15.834 0.474 1.00 0.00 C ATOM 650 CE LYS A 44 15.349 15.879 1.758 1.00 0.00 C ATOM 651 NZ LYS A 44 15.846 17.252 2.051 1.00 0.00 N ATOM 0 H LYS A 44 11.570 14.093 1.393 1.00 0.00 H new ATOM 0 HA LYS A 44 10.905 13.635 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.199 14.496 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.256 15.546 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.389 14.200 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.552 13.732 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.192 16.006 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.801 16.639 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.736 15.530 2.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.195 15.196 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.396 17.241 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.452 17.576 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.038 17.899 2.154 1.00 0.00 H new ATOM 665 N ASP A 45 12.907 11.556 0.208 1.00 0.00 N ATOM 666 CA ASP A 45 13.545 10.248 0.121 1.00 0.00 C ATOM 667 C ASP A 45 12.547 9.185 -0.328 1.00 0.00 C ATOM 668 O ASP A 45 12.874 8.310 -1.130 1.00 0.00 O ATOM 669 CB ASP A 45 14.149 9.860 1.471 1.00 0.00 C ATOM 670 CG ASP A 45 15.380 10.678 1.811 1.00 0.00 C ATOM 671 OD1 ASP A 45 16.099 11.086 0.875 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.623 10.911 3.014 1.00 0.00 O ATOM 0 H ASP A 45 12.966 11.993 1.128 1.00 0.00 H new ATOM 0 HA ASP A 45 14.342 10.309 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.401 9.993 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.411 8.802 1.458 1.00 0.00 H new ATOM 677 N VAL A 46 11.328 9.266 0.196 1.00 0.00 N ATOM 678 CA VAL A 46 10.282 8.312 -0.150 1.00 0.00 C ATOM 679 C VAL A 46 9.448 8.812 -1.324 1.00 0.00 C ATOM 680 O VAL A 46 9.418 10.008 -1.614 1.00 0.00 O ATOM 681 CB VAL A 46 9.351 8.040 1.047 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.123 7.397 2.189 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.682 9.328 1.504 1.00 0.00 C ATOM 0 H VAL A 46 11.041 9.983 0.862 1.00 0.00 H new ATOM 0 HA VAL A 46 10.781 7.385 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 46 8.573 7.345 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.449 7.212 3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.551 6.453 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.923 8.065 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.028 9.118 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.444 10.047 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.094 9.743 0.685 1.00 0.00 H new ATOM 693 N VAL A 47 8.772 7.888 -1.999 1.00 0.00 N ATOM 694 CA VAL A 47 7.936 8.234 -3.142 1.00 0.00 C ATOM 695 C VAL A 47 6.532 7.658 -2.992 1.00 0.00 C ATOM 696 O VAL A 47 6.307 6.472 -3.236 1.00 0.00 O ATOM 697 CB VAL A 47 8.549 7.727 -4.460 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.634 8.047 -5.633 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.930 8.328 -4.671 1.00 0.00 C ATOM 0 H VAL A 47 8.787 6.893 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 47 7.877 9.322 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 47 8.655 6.644 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.084 7.681 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.668 7.564 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.493 9.126 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.348 7.959 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.852 9.414 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.581 8.042 -3.845 1.00 0.00 H new ATOM 709 N VAL A 48 5.591 8.504 -2.588 1.00 0.00 N ATOM 710 CA VAL A 48 4.208 8.079 -2.406 1.00 0.00 C ATOM 711 C VAL A 48 3.271 8.847 -3.332 1.00 0.00 C ATOM 712 O VAL A 48 3.099 10.058 -3.194 1.00 0.00 O ATOM 713 CB VAL A 48 3.747 8.277 -0.950 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.272 7.934 -0.805 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.593 7.436 -0.005 1.00 0.00 C ATOM 0 H VAL A 48 5.761 9.488 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 48 4.168 7.018 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 48 3.879 9.326 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.965 8.080 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.682 8.582 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.111 6.894 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.254 7.588 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.494 6.383 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.638 7.734 -0.089 1.00 0.00 H new ATOM 725 N ASP A 49 2.667 8.134 -4.276 1.00 0.00 N ATOM 726 CA ASP A 49 1.745 8.747 -5.226 1.00 0.00 C ATOM 727 C ASP A 49 0.308 8.325 -4.937 1.00 0.00 C ATOM 728 O ASP A 49 -0.071 7.177 -5.170 1.00 0.00 O ATOM 729 CB ASP A 49 2.124 8.364 -6.657 1.00 0.00 C ATOM 730 CG ASP A 49 1.750 9.436 -7.661 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.539 9.691 -7.835 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.667 10.022 -8.273 1.00 0.00 O ATOM 0 H ASP A 49 2.799 7.131 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 49 1.816 9.829 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.197 8.180 -6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.628 7.431 -6.924 1.00 0.00 H new ATOM 737 N ILE A 50 -0.488 9.261 -4.429 1.00 0.00 N ATOM 738 CA ILE A 50 -1.883 8.985 -4.109 1.00 0.00 C ATOM 739 C ILE A 50 -2.810 9.501 -5.205 1.00 0.00 C ATOM 740 O ILE A 50 -2.759 10.674 -5.572 1.00 0.00 O ATOM 741 CB ILE A 50 -2.289 9.622 -2.767 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.407 9.088 -1.637 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.757 9.351 -2.474 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.513 9.888 -0.357 1.00 0.00 C ATOM 0 H ILE A 50 -0.190 10.216 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.982 7.902 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.146 10.700 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.680 8.053 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.369 9.084 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.028 9.808 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.371 9.776 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.925 8.275 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.861 9.452 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.212 10.918 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.543 9.871 -0.001 1.00 0.00 H new ATOM 756 N GLN A 51 -3.657 8.616 -5.720 1.00 0.00 N ATOM 757 CA GLN A 51 -4.597 8.982 -6.773 1.00 0.00 C ATOM 758 C GLN A 51 -6.025 8.623 -6.377 1.00 0.00 C ATOM 759 O GLN A 51 -6.256 8.022 -5.328 1.00 0.00 O ATOM 760 CB GLN A 51 -4.227 8.283 -8.082 1.00 0.00 C ATOM 761 CG GLN A 51 -3.270 9.084 -8.951 1.00 0.00 C ATOM 762 CD GLN A 51 -3.861 10.404 -9.406 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.906 11.371 -8.645 1.00 0.00 O ATOM 764 NE2 GLN A 51 -4.317 10.450 -10.652 1.00 0.00 N ATOM 0 H GLN A 51 -3.712 7.641 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.540 10.061 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.775 7.318 -7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.137 8.083 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.352 9.274 -8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.997 8.492 -9.825 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.259 9.624 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.725 11.312 -11.014 1.00 0.00 H new ATOM 773 N ARG A 52 -6.980 8.995 -7.223 1.00 0.00 N ATOM 774 CA ARG A 52 -8.386 8.713 -6.961 1.00 0.00 C ATOM 775 C ARG A 52 -8.624 7.212 -6.828 1.00 0.00 C ATOM 776 O ARG A 52 -9.161 6.745 -5.823 1.00 0.00 O ATOM 777 CB ARG A 52 -9.260 9.282 -8.080 1.00 0.00 C ATOM 778 CG ARG A 52 -10.745 9.272 -7.758 1.00 0.00 C ATOM 779 CD ARG A 52 -11.121 10.413 -6.826 1.00 0.00 C ATOM 780 NE ARG A 52 -11.094 11.706 -7.506 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.725 12.785 -7.057 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.428 12.728 -5.934 1.00 0.00 N ATOM 783 NH2 ARG A 52 -11.653 13.926 -7.731 1.00 0.00 N ATOM 0 H ARG A 52 -6.805 9.493 -8.096 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.657 9.191 -6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.949 10.306 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.090 8.707 -8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.319 9.351 -8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.012 8.321 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.118 10.237 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.433 10.433 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.562 11.784 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.485 11.854 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.911 13.559 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.113 13.975 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.138 14.754 -7.385 1.00 0.00 H new ATOM 797 N ARG A 53 -8.222 6.462 -7.849 1.00 0.00 N ATOM 798 CA ARG A 53 -8.393 5.014 -7.847 1.00 0.00 C ATOM 799 C ARG A 53 -7.054 4.308 -8.037 1.00 0.00 C ATOM 800 O ARG A 53 -6.973 3.275 -8.702 1.00 0.00 O ATOM 801 CB ARG A 53 -9.365 4.593 -8.951 1.00 0.00 C ATOM 802 CG ARG A 53 -10.158 3.339 -8.618 1.00 0.00 C ATOM 803 CD ARG A 53 -11.513 3.338 -9.309 1.00 0.00 C ATOM 804 NE ARG A 53 -11.456 2.706 -10.624 1.00 0.00 N ATOM 805 CZ ARG A 53 -12.317 2.966 -11.602 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.294 3.842 -11.414 1.00 0.00 N ATOM 807 NH2 ARG A 53 -12.200 2.350 -12.771 1.00 0.00 N ATOM 0 H ARG A 53 -7.776 6.833 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.803 4.723 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.059 5.411 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.806 4.425 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.593 2.458 -8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.298 3.271 -7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.237 2.814 -8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.867 4.364 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.715 2.028 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.386 4.318 -10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.954 4.040 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.449 1.676 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.861 2.550 -13.521 1.00 0.00 H new ATOM 821 N HIS A 54 -6.004 4.872 -7.448 1.00 0.00 N ATOM 822 CA HIS A 54 -4.668 4.297 -7.552 1.00 0.00 C ATOM 823 C HIS A 54 -3.754 4.844 -6.459 1.00 0.00 C ATOM 824 O HIS A 54 -3.877 6.000 -6.054 1.00 0.00 O ATOM 825 CB HIS A 54 -4.069 4.591 -8.928 1.00 0.00 C ATOM 826 CG HIS A 54 -2.752 3.918 -9.164 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.560 4.606 -9.255 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.442 2.610 -9.326 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.575 3.751 -9.465 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.084 2.533 -9.512 1.00 0.00 N ATOM 0 H HIS A 54 -6.053 5.727 -6.894 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.753 3.218 -7.424 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.773 4.273 -9.697 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.942 5.668 -9.037 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.134 1.781 -9.312 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.469 4.005 -9.579 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.554 1.675 -9.662 1.00 0.00 H new ATOM 839 N LEU A 55 -2.839 4.005 -5.986 1.00 0.00 N ATOM 840 CA LEU A 55 -1.904 4.404 -4.939 1.00 0.00 C ATOM 841 C LEU A 55 -0.550 3.729 -5.132 1.00 0.00 C ATOM 842 O LEU A 55 -0.476 2.563 -5.519 1.00 0.00 O ATOM 843 CB LEU A 55 -2.470 4.053 -3.562 1.00 0.00 C ATOM 844 CG LEU A 55 -1.491 4.143 -2.391 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.204 5.596 -2.046 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.040 3.404 -1.179 1.00 0.00 C ATOM 0 H LEU A 55 -2.724 3.045 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.764 5.483 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.311 4.715 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.865 3.038 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.555 3.669 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.505 5.640 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.768 6.096 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.133 6.095 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.330 3.478 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.990 3.849 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.194 2.355 -1.432 1.00 0.00 H new ATOM 858 N ARG A 56 0.519 4.470 -4.857 1.00 0.00 N ATOM 859 CA ARG A 56 1.870 3.943 -5.000 1.00 0.00 C ATOM 860 C ARG A 56 2.762 4.417 -3.856 1.00 0.00 C ATOM 861 O ARG A 56 2.718 5.582 -3.462 1.00 0.00 O ATOM 862 CB ARG A 56 2.470 4.373 -6.340 1.00 0.00 C ATOM 863 CG ARG A 56 3.718 3.596 -6.727 1.00 0.00 C ATOM 864 CD ARG A 56 4.442 4.250 -7.893 1.00 0.00 C ATOM 865 NE ARG A 56 3.580 4.389 -9.064 1.00 0.00 N ATOM 866 CZ ARG A 56 4.040 4.543 -10.300 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.346 4.577 -10.527 1.00 0.00 N ATOM 868 NH2 ARG A 56 3.192 4.663 -11.314 1.00 0.00 N ATOM 0 H ARG A 56 0.475 5.437 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 56 1.813 2.855 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.719 4.250 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.713 5.435 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.389 3.533 -5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.444 2.575 -6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.803 5.233 -7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.317 3.656 -8.156 1.00 0.00 H new ATOM 0 HE ARG A 56 2.570 4.367 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.001 4.485 -9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.695 4.695 -11.478 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.187 4.637 -11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.546 4.781 -12.263 1.00 0.00 H new ATOM 882 N VAL A 57 3.571 3.505 -3.326 1.00 0.00 N ATOM 883 CA VAL A 57 4.474 3.829 -2.228 1.00 0.00 C ATOM 884 C VAL A 57 5.823 3.142 -2.404 1.00 0.00 C ATOM 885 O VAL A 57 5.898 2.014 -2.889 1.00 0.00 O ATOM 886 CB VAL A 57 3.875 3.419 -0.870 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.840 3.745 0.260 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.534 4.103 -0.650 1.00 0.00 C ATOM 0 H VAL A 57 3.619 2.536 -3.639 1.00 0.00 H new ATOM 0 HA VAL A 57 4.616 4.910 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 57 3.711 2.341 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.399 3.448 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.774 3.204 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.039 4.817 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.126 3.801 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.670 5.184 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.844 3.814 -1.443 1.00 0.00 H new ATOM 898 N GLY A 58 6.889 3.831 -2.006 1.00 0.00 N ATOM 899 CA GLY A 58 8.222 3.271 -2.128 1.00 0.00 C ATOM 900 C GLY A 58 9.307 4.285 -1.826 1.00 0.00 C ATOM 901 O GLY A 58 9.069 5.269 -1.123 1.00 0.00 O ATOM 0 H GLY A 58 6.853 4.767 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.321 2.425 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.360 2.886 -3.138 1.00 0.00 H new ATOM 905 N LEU A 59 10.502 4.047 -2.354 1.00 0.00 N ATOM 906 CA LEU A 59 11.629 4.947 -2.136 1.00 0.00 C ATOM 907 C LEU A 59 12.337 5.262 -3.449 1.00 0.00 C ATOM 908 O LEU A 59 12.538 4.382 -4.286 1.00 0.00 O ATOM 909 CB LEU A 59 12.617 4.327 -1.146 1.00 0.00 C ATOM 910 CG LEU A 59 12.015 3.769 0.143 1.00 0.00 C ATOM 911 CD1 LEU A 59 12.942 2.733 0.761 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.735 4.892 1.131 1.00 0.00 C ATOM 0 H LEU A 59 10.716 3.238 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 59 11.244 5.878 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.151 3.522 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.357 5.082 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 59 11.071 3.282 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.497 2.347 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.092 1.914 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.902 3.195 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.307 4.476 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.665 5.407 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.032 5.598 0.689 1.00 0.00 H new ATOM 924 N LYS A 60 12.714 6.524 -3.624 1.00 0.00 N ATOM 925 CA LYS A 60 13.403 6.957 -4.834 1.00 0.00 C ATOM 926 C LYS A 60 14.417 5.911 -5.286 1.00 0.00 C ATOM 927 O LYS A 60 15.144 5.344 -4.472 1.00 0.00 O ATOM 928 CB LYS A 60 14.107 8.294 -4.594 1.00 0.00 C ATOM 929 CG LYS A 60 14.286 9.122 -5.855 1.00 0.00 C ATOM 930 CD LYS A 60 12.981 9.768 -6.288 1.00 0.00 C ATOM 931 CE LYS A 60 13.166 10.615 -7.537 1.00 0.00 C ATOM 932 NZ LYS A 60 13.857 11.900 -7.238 1.00 0.00 N ATOM 0 H LYS A 60 12.554 7.266 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 60 12.659 7.081 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.534 8.872 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.085 8.106 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.035 9.894 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.663 8.488 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.237 8.995 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.596 10.389 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.743 10.055 -8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.193 10.821 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.949 12.456 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.303 12.438 -6.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.802 11.704 -6.851 1.00 0.00 H new ATOM 946 N GLY A 61 14.459 5.660 -6.592 1.00 0.00 N ATOM 947 CA GLY A 61 15.388 4.683 -7.129 1.00 0.00 C ATOM 948 C GLY A 61 14.941 3.257 -6.877 1.00 0.00 C ATOM 949 O GLY A 61 14.768 2.480 -7.815 1.00 0.00 O ATOM 0 H GLY A 61 13.867 6.116 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.497 4.842 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.370 4.837 -6.682 1.00 0.00 H new ATOM 953 N GLN A 62 14.754 2.913 -5.607 1.00 0.00 N ATOM 954 CA GLN A 62 14.326 1.570 -5.235 1.00 0.00 C ATOM 955 C GLN A 62 12.934 1.271 -5.781 1.00 0.00 C ATOM 956 O GLN A 62 12.177 2.171 -6.145 1.00 0.00 O ATOM 957 CB GLN A 62 14.336 1.412 -3.714 1.00 0.00 C ATOM 958 CG GLN A 62 15.656 0.899 -3.163 1.00 0.00 C ATOM 959 CD GLN A 62 15.700 0.909 -1.648 1.00 0.00 C ATOM 960 OE1 GLN A 62 14.690 0.674 -0.984 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.875 1.182 -1.091 1.00 0.00 N ATOM 0 H GLN A 62 14.892 3.545 -4.819 1.00 0.00 H new ATOM 0 HA GLN A 62 15.027 0.859 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.111 2.375 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.540 0.727 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.824 -0.117 -3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.470 1.512 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.687 1.371 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.965 1.203 -0.075 1.00 0.00 H new ATOM 970 N PRO A 63 12.586 -0.023 -5.840 1.00 0.00 N ATOM 971 CA PRO A 63 11.283 -0.470 -6.340 1.00 0.00 C ATOM 972 C PRO A 63 10.143 -0.106 -5.395 1.00 0.00 C ATOM 973 O PRO A 63 10.287 -0.128 -4.172 1.00 0.00 O ATOM 974 CB PRO A 63 11.439 -1.990 -6.428 1.00 0.00 C ATOM 975 CG PRO A 63 12.496 -2.321 -5.431 1.00 0.00 C ATOM 976 CD PRO A 63 13.438 -1.149 -5.423 1.00 0.00 C ATOM 0 HA PRO A 63 11.027 0.002 -7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.503 -2.498 -6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.730 -2.301 -7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.064 -2.482 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.017 -3.239 -5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.866 -0.984 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.271 -1.298 -6.110 1.00 0.00 H new ATOM 984 N PRO A 64 8.981 0.237 -5.971 1.00 0.00 N ATOM 985 CA PRO A 64 7.794 0.612 -5.198 1.00 0.00 C ATOM 986 C PRO A 64 7.188 -0.574 -4.455 1.00 0.00 C ATOM 987 O PRO A 64 6.649 -1.495 -5.070 1.00 0.00 O ATOM 988 CB PRO A 64 6.824 1.127 -6.264 1.00 0.00 C ATOM 989 CG PRO A 64 7.246 0.447 -7.520 1.00 0.00 C ATOM 990 CD PRO A 64 8.738 0.285 -7.423 1.00 0.00 C ATOM 0 HA PRO A 64 8.026 1.344 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.792 0.885 -6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.882 2.211 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.755 -0.520 -7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.974 1.038 -8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.077 -0.625 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.264 1.117 -7.891 1.00 0.00 H new ATOM 998 N VAL A 65 7.279 -0.546 -3.129 1.00 0.00 N ATOM 999 CA VAL A 65 6.738 -1.618 -2.303 1.00 0.00 C ATOM 1000 C VAL A 65 5.249 -1.815 -2.563 1.00 0.00 C ATOM 1001 O VAL A 65 4.725 -2.921 -2.431 1.00 0.00 O ATOM 1002 CB VAL A 65 6.953 -1.335 -0.804 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.151 -0.117 -0.370 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.581 -2.553 0.027 1.00 0.00 C ATOM 0 H VAL A 65 7.723 0.208 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 65 7.274 -2.527 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 65 8.009 -1.122 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.315 0.067 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.472 0.753 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.091 -0.298 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.739 -2.335 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.533 -2.801 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.204 -3.398 -0.266 1.00 0.00 H new ATOM 1014 N VAL A 66 4.571 -0.733 -2.933 1.00 0.00 N ATOM 1015 CA VAL A 66 3.141 -0.786 -3.214 1.00 0.00 C ATOM 1016 C VAL A 66 2.808 -0.056 -4.510 1.00 0.00 C ATOM 1017 O VAL A 66 3.116 1.126 -4.665 1.00 0.00 O ATOM 1018 CB VAL A 66 2.320 -0.171 -2.065 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.830 -0.307 -2.340 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.688 -0.822 -0.740 1.00 0.00 C ATOM 0 H VAL A 66 4.989 0.191 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 66 2.877 -1.839 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 66 2.557 0.891 -2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.267 0.133 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.582 0.210 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.572 -1.362 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.099 -0.376 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.481 -1.891 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.748 -0.666 -0.540 1.00 0.00 H new ATOM 1030 N ASP A 67 2.176 -0.767 -5.437 1.00 0.00 N ATOM 1031 CA ASP A 67 1.799 -0.185 -6.721 1.00 0.00 C ATOM 1032 C ASP A 67 0.712 -1.017 -7.395 1.00 0.00 C ATOM 1033 O ASP A 67 0.955 -2.146 -7.821 1.00 0.00 O ATOM 1034 CB ASP A 67 3.020 -0.080 -7.636 1.00 0.00 C ATOM 1035 CG ASP A 67 3.710 -1.415 -7.836 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.366 -1.893 -6.886 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.594 -1.982 -8.942 1.00 0.00 O ATOM 0 H ASP A 67 1.914 -1.746 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 67 1.406 0.815 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.712 0.315 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.728 0.632 -7.212 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.487 -0.451 -7.488 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.593 -1.155 -8.111 1.00 0.00 C ATOM 1044 C GLY A 68 -2.896 -0.386 -8.018 1.00 0.00 C ATOM 1045 O GLY A 68 -3.046 0.492 -7.168 1.00 0.00 O ATOM 0 H GLY A 68 -0.713 0.482 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.358 -1.340 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.714 -2.128 -7.635 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.840 -0.714 -8.895 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.135 -0.045 -8.908 1.00 0.00 C ATOM 1051 C GLU A 69 -5.872 -0.258 -7.589 1.00 0.00 C ATOM 1052 O GLU A 69 -5.962 -1.380 -7.089 1.00 0.00 O ATOM 1053 CB GLU A 69 -5.988 -0.560 -10.070 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.409 -0.022 -10.067 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.204 -0.470 -11.278 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.761 -0.196 -12.413 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.270 -1.093 -11.091 1.00 0.00 O ATOM 0 H GLU A 69 -3.732 -1.438 -9.605 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.962 1.023 -9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.508 -0.289 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.021 -1.649 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.917 -0.352 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.381 1.067 -10.038 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.396 0.827 -7.029 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.124 0.761 -5.767 1.00 0.00 C ATOM 1066 C LEU A 70 -8.465 0.056 -5.948 1.00 0.00 C ATOM 1067 O LEU A 70 -9.161 0.270 -6.941 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.346 2.168 -5.209 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.139 2.820 -4.533 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.377 4.309 -4.338 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.846 2.145 -3.201 1.00 0.00 C ATOM 0 H LEU A 70 -6.330 1.763 -7.429 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.525 0.187 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.673 2.813 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.163 2.127 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.271 2.694 -5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.508 4.756 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.538 4.782 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.256 4.458 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.984 2.621 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.712 2.240 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.631 1.089 -3.368 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.822 -0.783 -4.982 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.079 -1.519 -5.035 1.00 0.00 C ATOM 1085 C TYR A 71 -11.246 -0.584 -5.336 1.00 0.00 C ATOM 1086 O TYR A 71 -12.136 -0.915 -6.118 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.323 -2.249 -3.713 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.754 -2.698 -3.525 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.282 -3.737 -4.282 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.579 -2.085 -2.590 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.589 -4.151 -4.114 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -13.887 -2.493 -2.414 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.388 -3.526 -3.178 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.690 -3.936 -3.007 1.00 0.00 O ATOM 0 H TYR A 71 -8.258 -0.970 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.008 -2.252 -5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.668 -3.119 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.046 -1.592 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.659 -4.229 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.191 -1.275 -1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.984 -4.959 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.514 -2.006 -1.682 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.115 -3.394 -2.309 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.233 0.588 -4.709 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.290 1.573 -4.909 1.00 0.00 C ATOM 1106 C ASN A 72 -11.714 2.985 -4.964 1.00 0.00 C ATOM 1107 O ASN A 72 -10.498 3.171 -4.937 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.325 1.476 -3.786 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.707 1.909 -4.235 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.323 2.786 -3.629 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.202 1.294 -5.303 1.00 0.00 N ATOM 0 H ASN A 72 -10.503 0.879 -4.059 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.776 1.360 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.369 0.449 -3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.007 2.096 -2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.128 1.543 -5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.657 0.573 -5.775 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.597 3.976 -5.040 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.175 5.371 -5.100 1.00 0.00 C ATOM 1120 C GLU A 73 -11.890 5.913 -3.702 1.00 0.00 C ATOM 1121 O GLU A 73 -12.550 5.539 -2.732 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.249 6.223 -5.779 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.119 6.274 -7.292 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.621 7.580 -7.877 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.709 8.572 -7.124 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.925 7.610 -9.088 1.00 0.00 O ATOM 0 H GLU A 73 -13.608 3.839 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.257 5.422 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.231 5.828 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.199 7.238 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.074 6.135 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.677 5.446 -7.729 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.901 6.796 -3.607 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.527 7.390 -2.329 1.00 0.00 C ATOM 1135 C VAL A 74 -10.223 8.876 -2.482 1.00 0.00 C ATOM 1136 O VAL A 74 -9.324 9.263 -3.228 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.300 6.686 -1.720 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.564 5.197 -1.559 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.067 6.928 -2.578 1.00 0.00 C ATOM 0 H VAL A 74 -10.344 7.116 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.378 7.263 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.115 7.106 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.686 4.716 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.420 5.048 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.776 4.758 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.209 6.423 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.239 6.536 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.868 7.998 -2.636 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.978 9.705 -1.770 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.789 11.150 -1.824 1.00 0.00 C ATOM 1151 C LYS A 75 -9.306 11.506 -1.804 1.00 0.00 C ATOM 1152 O LYS A 75 -8.686 11.567 -0.743 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.501 11.823 -0.648 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.022 13.213 -0.967 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.201 13.583 -0.083 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.885 14.852 -0.569 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.975 14.558 -1.540 1.00 0.00 N ATOM 0 H LYS A 75 -11.727 9.401 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.220 11.512 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.334 11.196 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.812 11.887 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.223 13.942 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.323 13.259 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.919 12.763 -0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.859 13.723 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.295 15.393 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.148 15.505 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.416 15.448 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.580 14.064 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.691 13.956 -1.086 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.743 11.742 -2.985 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.333 12.095 -3.103 1.00 0.00 C ATOM 1173 C VAL A 76 -7.080 13.517 -2.616 1.00 0.00 C ATOM 1174 O VAL A 76 -6.049 13.800 -2.007 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.843 11.967 -4.558 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.718 12.790 -5.491 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.386 12.392 -4.667 1.00 0.00 C ATOM 0 H VAL A 76 -9.242 11.695 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.778 11.396 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.917 10.922 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.356 12.687 -6.514 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.747 12.435 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.679 13.839 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.055 12.296 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.285 13.430 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.773 11.756 -4.029 1.00 0.00 H new ATOM 1187 N GLU A 77 -8.029 14.408 -2.888 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.907 15.802 -2.477 1.00 0.00 C ATOM 1189 C GLU A 77 -7.771 15.912 -0.962 1.00 0.00 C ATOM 1190 O GLU A 77 -7.239 16.895 -0.446 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.121 16.604 -2.951 1.00 0.00 C ATOM 1192 CG GLU A 77 -10.451 15.987 -2.553 1.00 0.00 C ATOM 1193 CD GLU A 77 -11.550 16.270 -3.559 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -11.690 17.440 -3.972 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -12.270 15.321 -3.934 1.00 0.00 O ATOM 0 H GLU A 77 -8.889 14.190 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.008 16.213 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.061 17.613 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.083 16.697 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.330 14.909 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.748 16.372 -1.578 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.255 14.896 -0.254 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.189 14.880 1.202 1.00 0.00 C ATOM 1204 C GLU A 78 -7.120 13.906 1.687 1.00 0.00 C ATOM 1205 O GLU A 78 -6.403 14.182 2.649 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.548 14.499 1.793 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.486 15.680 1.975 1.00 0.00 C ATOM 1208 CD GLU A 78 -10.076 16.579 3.126 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.221 17.463 2.914 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.612 16.397 4.239 1.00 0.00 O ATOM 0 H GLU A 78 -8.697 14.074 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.923 15.882 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.024 13.765 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.393 14.017 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.512 16.263 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.497 15.313 2.148 1.00 0.00 H new ATOM 1217 N SER A 79 -7.019 12.764 1.015 1.00 0.00 N ATOM 1218 CA SER A 79 -6.041 11.745 1.379 1.00 0.00 C ATOM 1219 C SER A 79 -4.656 12.360 1.554 1.00 0.00 C ATOM 1220 O SER A 79 -4.376 13.444 1.040 1.00 0.00 O ATOM 1221 CB SER A 79 -5.994 10.649 0.313 1.00 0.00 C ATOM 1222 OG SER A 79 -7.059 9.729 0.481 1.00 0.00 O ATOM 0 H SER A 79 -7.603 12.521 0.215 1.00 0.00 H new ATOM 0 HA SER A 79 -6.347 11.305 2.328 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.051 11.099 -0.678 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.042 10.122 0.370 1.00 0.00 H new ATOM 0 HG SER A 79 -7.879 10.105 0.099 1.00 0.00 H new ATOM 1228 N SER A 80 -3.792 11.661 2.282 1.00 0.00 N ATOM 1229 CA SER A 80 -2.437 12.138 2.529 1.00 0.00 C ATOM 1230 C SER A 80 -1.611 11.080 3.253 1.00 0.00 C ATOM 1231 O SER A 80 -2.136 10.049 3.675 1.00 0.00 O ATOM 1232 CB SER A 80 -2.470 13.427 3.353 1.00 0.00 C ATOM 1233 OG SER A 80 -3.259 13.268 4.519 1.00 0.00 O ATOM 0 H SER A 80 -4.007 10.761 2.712 1.00 0.00 H new ATOM 0 HA SER A 80 -1.969 12.342 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.455 13.709 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.871 14.239 2.747 1.00 0.00 H new ATOM 0 HG SER A 80 -3.262 14.105 5.028 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.317 11.342 3.393 1.00 0.00 N ATOM 1240 CA TRP A 81 0.583 10.412 4.066 1.00 0.00 C ATOM 1241 C TRP A 81 1.619 11.162 4.897 1.00 0.00 C ATOM 1242 O TRP A 81 1.736 12.385 4.805 1.00 0.00 O ATOM 1243 CB TRP A 81 1.283 9.516 3.043 1.00 0.00 C ATOM 1244 CG TRP A 81 2.131 10.277 2.070 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.706 10.934 0.950 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.550 10.457 2.128 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.775 11.511 0.309 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.918 11.234 1.012 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.546 10.039 3.015 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.238 11.600 0.762 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.856 10.402 2.765 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.193 11.176 1.647 1.00 0.00 C ATOM 0 H TRP A 81 0.133 12.191 3.050 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.012 9.790 4.735 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.906 8.793 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.532 8.949 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.680 10.991 0.617 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.726 12.057 -0.551 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.296 9.443 3.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.499 12.197 -0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.633 10.083 3.443 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.226 11.443 1.480 1.00 0.00 H new ATOM 1263 N LEU A 82 2.370 10.423 5.706 1.00 0.00 N ATOM 1264 CA LEU A 82 3.397 11.018 6.553 1.00 0.00 C ATOM 1265 C LEU A 82 4.432 9.977 6.967 1.00 0.00 C ATOM 1266 O LEU A 82 4.151 8.779 6.980 1.00 0.00 O ATOM 1267 CB LEU A 82 2.762 11.645 7.795 1.00 0.00 C ATOM 1268 CG LEU A 82 2.414 10.681 8.930 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.653 10.352 9.750 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.327 11.270 9.816 1.00 0.00 C ATOM 0 H LEU A 82 2.287 9.410 5.793 1.00 0.00 H new ATOM 0 HA LEU A 82 3.901 11.796 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.443 12.402 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.851 12.161 7.492 1.00 0.00 H new ATOM 0 HG LEU A 82 2.037 9.757 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.386 9.665 10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.401 9.887 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.061 11.268 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.092 10.570 10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.676 12.209 10.245 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.432 11.453 9.221 1.00 0.00 H new ATOM 1282 N ILE A 83 5.630 10.444 7.306 1.00 0.00 N ATOM 1283 CA ILE A 83 6.705 9.553 7.724 1.00 0.00 C ATOM 1284 C ILE A 83 6.674 9.323 9.231 1.00 0.00 C ATOM 1285 O ILE A 83 6.661 10.273 10.014 1.00 0.00 O ATOM 1286 CB ILE A 83 8.085 10.113 7.330 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.200 10.220 5.808 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.193 9.234 7.891 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.422 10.983 5.347 1.00 0.00 C ATOM 0 H ILE A 83 5.880 11.433 7.299 1.00 0.00 H new ATOM 0 HA ILE A 83 6.546 8.605 7.211 1.00 0.00 H new ATOM 0 HB ILE A 83 8.191 11.111 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.226 9.217 5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.308 10.709 5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.162 9.643 7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.119 9.205 8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.093 8.224 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.439 11.019 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.388 11.998 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.321 10.482 5.707 1.00 0.00 H new ATOM 1301 N GLU A 84 6.664 8.055 9.631 1.00 0.00 N ATOM 1302 CA GLU A 84 6.635 7.700 11.045 1.00 0.00 C ATOM 1303 C GLU A 84 8.004 7.213 11.511 1.00 0.00 C ATOM 1304 O GLU A 84 8.546 6.246 10.975 1.00 0.00 O ATOM 1305 CB GLU A 84 5.582 6.620 11.302 1.00 0.00 C ATOM 1306 CG GLU A 84 4.213 7.176 11.655 1.00 0.00 C ATOM 1307 CD GLU A 84 4.173 7.790 13.041 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.992 8.693 13.314 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.325 7.367 13.854 1.00 0.00 O ATOM 0 H GLU A 84 6.676 7.257 8.996 1.00 0.00 H new ATOM 0 HA GLU A 84 6.373 8.593 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.492 5.993 10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.924 5.977 12.113 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.930 7.929 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.474 6.377 11.594 1.00 0.00 H new ATOM 1316 N ASP A 85 8.557 7.890 12.512 1.00 0.00 N ATOM 1317 CA ASP A 85 9.862 7.526 13.052 1.00 0.00 C ATOM 1318 C ASP A 85 10.865 7.281 11.929 1.00 0.00 C ATOM 1319 O ASP A 85 11.753 6.439 12.049 1.00 0.00 O ATOM 1320 CB ASP A 85 9.745 6.279 13.929 1.00 0.00 C ATOM 1321 CG ASP A 85 9.237 6.597 15.322 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.745 7.560 15.934 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.332 5.882 15.800 1.00 0.00 O ATOM 0 H ASP A 85 8.122 8.693 12.966 1.00 0.00 H new ATOM 0 HA ASP A 85 10.221 8.356 13.661 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.071 5.566 13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.720 5.797 14.002 1.00 0.00 H new ATOM 1328 N GLY A 86 10.716 8.024 10.836 1.00 0.00 N ATOM 1329 CA GLY A 86 11.615 7.872 9.707 1.00 0.00 C ATOM 1330 C GLY A 86 11.945 6.420 9.421 1.00 0.00 C ATOM 1331 O GLY A 86 13.020 6.109 8.907 1.00 0.00 O ATOM 0 H GLY A 86 9.989 8.728 10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.162 8.320 8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.537 8.419 9.904 1.00 0.00 H new ATOM 1335 N LYS A 87 11.019 5.528 9.754 1.00 0.00 N ATOM 1336 CA LYS A 87 11.215 4.100 9.530 1.00 0.00 C ATOM 1337 C LYS A 87 10.014 3.492 8.814 1.00 0.00 C ATOM 1338 O LYS A 87 10.137 2.478 8.126 1.00 0.00 O ATOM 1339 CB LYS A 87 11.446 3.382 10.862 1.00 0.00 C ATOM 1340 CG LYS A 87 10.390 3.688 11.910 1.00 0.00 C ATOM 1341 CD LYS A 87 10.702 3.007 13.231 1.00 0.00 C ATOM 1342 CE LYS A 87 10.300 1.540 13.211 1.00 0.00 C ATOM 1343 NZ LYS A 87 10.415 0.915 14.558 1.00 0.00 N ATOM 0 H LYS A 87 10.124 5.769 10.180 1.00 0.00 H new ATOM 0 HA LYS A 87 12.094 3.973 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.470 2.307 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.424 3.663 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.328 4.766 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.414 3.359 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.768 3.090 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.177 3.518 14.038 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.274 1.449 12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.931 1.000 12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.132 -0.084 14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.399 0.978 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.794 1.414 15.226 1.00 0.00 H new ATOM 1357 N VAL A 88 8.853 4.118 8.977 1.00 0.00 N ATOM 1358 CA VAL A 88 7.631 3.639 8.344 1.00 0.00 C ATOM 1359 C VAL A 88 6.920 4.764 7.600 1.00 0.00 C ATOM 1360 O VAL A 88 7.002 5.929 7.989 1.00 0.00 O ATOM 1361 CB VAL A 88 6.664 3.031 9.377 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.510 2.327 8.680 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.403 2.075 10.300 1.00 0.00 C ATOM 0 H VAL A 88 8.733 4.958 9.542 1.00 0.00 H new ATOM 0 HA VAL A 88 7.925 2.866 7.634 1.00 0.00 H new ATOM 0 HB VAL A 88 6.252 3.839 9.982 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.838 1.904 9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.965 3.043 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.899 1.529 8.048 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.704 1.655 11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.845 1.270 9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.191 2.614 10.827 1.00 0.00 H new ATOM 1373 N VAL A 89 6.222 4.408 6.526 1.00 0.00 N ATOM 1374 CA VAL A 89 5.495 5.388 5.727 1.00 0.00 C ATOM 1375 C VAL A 89 3.993 5.132 5.777 1.00 0.00 C ATOM 1376 O VAL A 89 3.475 4.266 5.071 1.00 0.00 O ATOM 1377 CB VAL A 89 5.959 5.370 4.259 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.058 6.248 3.403 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.409 5.818 4.153 1.00 0.00 C ATOM 0 H VAL A 89 6.145 3.448 6.189 1.00 0.00 H new ATOM 0 HA VAL A 89 5.708 6.367 6.156 1.00 0.00 H new ATOM 0 HB VAL A 89 5.890 4.348 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.401 6.223 2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.034 5.878 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.092 7.273 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.720 5.799 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.506 6.831 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.041 5.145 4.732 1.00 0.00 H new ATOM 1389 N THR A 90 3.297 5.891 6.618 1.00 0.00 N ATOM 1390 CA THR A 90 1.853 5.747 6.761 1.00 0.00 C ATOM 1391 C THR A 90 1.112 6.566 5.711 1.00 0.00 C ATOM 1392 O THR A 90 1.476 7.708 5.430 1.00 0.00 O ATOM 1393 CB THR A 90 1.382 6.180 8.162 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.790 7.528 8.421 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.947 5.259 9.232 1.00 0.00 C ATOM 0 H THR A 90 3.710 6.612 7.210 1.00 0.00 H new ATOM 0 HA THR A 90 1.625 4.691 6.620 1.00 0.00 H new ATOM 0 HB THR A 90 0.294 6.118 8.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.485 7.796 9.313 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.600 5.585 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.610 4.239 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.036 5.292 9.203 1.00 0.00 H new ATOM 1403 N VAL A 91 0.069 5.977 5.135 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.725 6.654 4.117 1.00 0.00 C ATOM 1405 C VAL A 91 -2.215 6.546 4.421 1.00 0.00 C ATOM 1406 O VAL A 91 -2.781 5.452 4.430 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.455 6.072 2.716 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.259 6.821 1.663 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.031 6.120 2.397 1.00 0.00 C ATOM 0 H VAL A 91 -0.246 5.032 5.356 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.429 7.703 4.130 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.772 5.029 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.056 6.396 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.322 6.730 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.975 7.873 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.204 5.705 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.376 7.154 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.581 5.536 3.135 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.847 7.689 4.670 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.273 7.724 4.974 1.00 0.00 C ATOM 1421 C HIS A 92 -5.098 7.852 3.697 1.00 0.00 C ATOM 1422 O HIS A 92 -4.880 8.759 2.893 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.587 8.887 5.916 1.00 0.00 C ATOM 1424 CG HIS A 92 -6.028 9.296 5.904 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.869 9.119 6.982 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.775 9.877 4.936 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.072 9.573 6.677 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -8.041 10.039 5.442 1.00 0.00 N ATOM 0 H HIS A 92 -2.394 8.603 4.667 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.538 6.787 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.306 8.607 6.931 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.972 9.744 5.640 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.604 8.703 7.875 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.438 10.160 3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.934 9.564 7.327 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.045 6.938 3.517 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.902 6.947 2.336 1.00 0.00 C ATOM 1439 C LEU A 93 -8.357 7.197 2.722 1.00 0.00 C ATOM 1440 O LEU A 93 -8.964 6.402 3.438 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.783 5.621 1.584 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.424 5.330 0.947 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.260 3.840 0.694 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.263 6.114 -0.348 1.00 0.00 C ATOM 0 H LEU A 93 -6.239 6.182 4.173 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.573 7.757 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.018 4.812 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.541 5.601 0.801 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.645 5.647 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.287 3.653 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.330 3.301 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.046 3.497 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.290 5.895 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.049 5.828 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.334 7.181 -0.138 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.909 8.307 2.241 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.293 8.660 2.535 1.00 0.00 C ATOM 1458 C GLU A 94 -11.250 7.944 1.587 1.00 0.00 C ATOM 1459 O GLU A 94 -11.180 8.114 0.369 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.490 10.174 2.429 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.922 10.620 2.670 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.202 10.920 4.130 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -11.834 10.090 4.987 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -12.788 11.985 4.415 1.00 0.00 O ATOM 0 H GLU A 94 -8.420 8.976 1.647 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.513 8.343 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.838 10.668 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.177 10.504 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.127 11.510 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.604 9.842 2.326 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.145 7.142 2.153 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.118 6.400 1.361 1.00 0.00 C ATOM 1473 C LYS A 95 -14.243 7.313 0.885 1.00 0.00 C ATOM 1474 O LYS A 95 -15.059 7.776 1.684 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.697 5.243 2.179 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.770 4.045 2.280 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.445 2.873 2.972 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.427 1.926 3.588 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.081 0.783 4.283 1.00 0.00 N ATOM 0 H LYS A 95 -12.217 6.989 3.159 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.606 5.998 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.927 5.599 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.638 4.927 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.452 3.745 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.871 4.325 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.114 3.244 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.060 2.330 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.766 1.547 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.804 2.473 4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.507 0.501 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.028 1.068 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.166 -0.020 3.627 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.282 7.567 -0.418 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.309 8.423 -0.999 1.00 0.00 C ATOM 1495 C ILE A 96 -16.632 8.277 -0.255 1.00 0.00 C ATOM 1496 O ILE A 96 -17.355 9.252 -0.056 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.533 8.102 -2.489 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.312 8.520 -3.312 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.786 8.799 -2.998 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.956 9.983 -3.164 1.00 0.00 C ATOM 0 H ILE A 96 -13.614 7.192 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.954 9.449 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.670 7.026 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.457 7.914 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.502 8.305 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.931 8.563 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.650 8.457 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.676 9.877 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.082 10.208 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.795 10.597 -3.491 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.734 10.200 -2.119 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.941 7.052 0.156 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.177 6.778 0.881 1.00 0.00 C ATOM 1514 C ASN A 97 -17.886 6.097 2.215 1.00 0.00 C ATOM 1515 O ASN A 97 -17.291 5.020 2.259 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.102 5.898 0.037 1.00 0.00 C ATOM 1517 CG ASN A 97 -20.546 5.971 0.496 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.879 5.553 1.605 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -21.411 6.504 -0.358 1.00 0.00 N ATOM 0 H ASN A 97 -16.353 6.233 -0.000 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.672 7.729 1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -19.039 6.206 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.760 4.864 0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -22.396 6.580 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -21.090 6.838 -1.267 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.310 6.733 3.302 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.098 6.189 4.638 1.00 0.00 C ATOM 1528 C LYS A 98 -18.971 4.960 4.870 1.00 0.00 C ATOM 1529 O LYS A 98 -18.716 4.169 5.778 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.402 7.252 5.697 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.611 8.535 5.516 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.133 8.324 5.800 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.324 9.577 5.505 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.119 9.677 6.374 1.00 0.00 N ATOM 0 H LYS A 98 -18.803 7.626 3.284 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.053 5.891 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.467 7.485 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.190 6.841 6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.738 8.901 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.004 9.303 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.999 8.041 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.760 7.498 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.018 9.574 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.951 10.457 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.063 10.632 6.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.185 8.977 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.266 9.492 5.808 1.00 0.00 H new ATOM 1548 N MET A 99 -20.000 4.806 4.044 1.00 0.00 N ATOM 1549 CA MET A 99 -20.908 3.670 4.158 1.00 0.00 C ATOM 1550 C MET A 99 -20.508 2.555 3.198 1.00 0.00 C ATOM 1551 O MET A 99 -21.360 1.826 2.691 1.00 0.00 O ATOM 1552 CB MET A 99 -22.346 4.110 3.878 1.00 0.00 C ATOM 1553 CG MET A 99 -23.041 4.721 5.084 1.00 0.00 C ATOM 1554 SD MET A 99 -23.334 3.521 6.398 1.00 0.00 S ATOM 1555 CE MET A 99 -22.401 4.255 7.740 1.00 0.00 C ATOM 0 H MET A 99 -20.226 5.453 3.289 1.00 0.00 H new ATOM 0 HA MET A 99 -20.845 3.287 5.176 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.343 4.835 3.065 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.920 3.249 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.434 5.539 5.473 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.992 5.151 4.771 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.484 3.627 8.627 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.353 4.339 7.452 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.797 5.247 7.959 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.208 2.430 2.951 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.697 1.403 2.050 1.00 0.00 C ATOM 1567 C GLU A 100 -17.490 0.696 2.659 1.00 0.00 C ATOM 1568 O GLU A 100 -16.678 1.314 3.348 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.315 2.020 0.703 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.775 1.012 -0.297 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.872 0.345 -1.104 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.999 0.217 -0.579 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.605 -0.049 -2.258 1.00 0.00 O ATOM 0 H GLU A 100 -18.490 3.026 3.362 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.486 0.667 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.190 2.510 0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.565 2.794 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.084 1.513 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.205 0.250 0.233 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.380 -0.602 2.401 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.272 -1.394 2.923 1.00 0.00 C ATOM 1582 C TRP A 101 -15.242 -1.674 1.835 1.00 0.00 C ATOM 1583 O TRP A 101 -15.479 -1.401 0.658 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.790 -2.711 3.504 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.194 -2.608 4.944 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.466 -2.534 5.434 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.321 -2.565 6.078 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.437 -2.447 6.806 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.133 -2.466 7.225 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.933 -2.603 6.236 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.600 -2.403 8.510 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.406 -2.540 7.512 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.238 -2.442 8.635 1.00 0.00 C ATOM 0 H TRP A 101 -18.044 -1.129 1.834 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.789 -0.821 3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.645 -3.047 2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.016 -3.473 3.405 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.363 -2.543 4.833 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.254 -2.379 7.413 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.284 -2.680 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.239 -2.326 9.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.335 -2.567 7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.795 -2.396 9.619 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.099 -2.218 2.235 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.032 -2.534 1.292 1.00 0.00 C ATOM 1606 C TRP A 102 -12.566 -3.976 1.462 1.00 0.00 C ATOM 1607 O TRP A 102 -12.409 -4.460 2.582 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.853 -1.579 1.484 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.009 -0.287 0.739 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.111 0.519 0.718 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -11.030 0.345 -0.093 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.877 1.614 -0.078 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.607 1.532 -0.586 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.722 0.026 -0.467 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.920 2.396 -1.434 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -9.042 0.885 -1.309 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.641 2.059 -1.785 1.00 0.00 C ATOM 0 H TRP A 102 -13.887 -2.450 3.205 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.426 -2.415 0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.736 -1.366 2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.938 -2.072 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.031 0.324 1.249 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.541 2.366 -0.261 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.251 -0.876 -0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.380 3.301 -1.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.031 0.647 -1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -9.083 2.710 -2.441 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.345 -4.658 0.342 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.896 -6.045 0.368 1.00 0.00 C ATOM 1630 C ASN A 103 -10.373 -6.125 0.353 1.00 0.00 C ATOM 1631 O ASN A 103 -9.791 -7.144 0.724 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.470 -6.811 -0.826 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.337 -8.313 -0.668 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.236 -8.835 -0.497 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -13.463 -9.015 -0.724 1.00 0.00 N ATOM 0 H ASN A 103 -12.470 -4.272 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.256 -6.500 1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.522 -6.553 -0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.958 -6.497 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.437 -10.030 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -14.354 -8.539 -0.867 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.733 -5.043 -0.078 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.278 -4.990 -0.142 1.00 0.00 C ATOM 1644 C ARG A 104 -7.801 -3.595 -0.536 1.00 0.00 C ATOM 1645 O ARG A 104 -8.577 -2.780 -1.037 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.752 -6.021 -1.142 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.161 -5.740 -2.578 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.881 -6.932 -3.481 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.576 -6.824 -4.761 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.897 -6.871 -4.886 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -10.663 -7.024 -3.815 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -10.456 -6.766 -6.085 1.00 0.00 N ATOM 0 H ARG A 104 -10.200 -4.191 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.888 -5.223 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.664 -6.050 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.114 -7.009 -0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.223 -5.497 -2.614 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.621 -4.868 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.808 -7.010 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.189 -7.848 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.016 -6.706 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.238 -7.106 -2.891 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.678 -7.060 -3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.871 -6.649 -6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.471 -6.802 -6.179 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.521 -3.326 -0.306 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.940 -2.029 -0.636 1.00 0.00 C ATOM 1668 C LEU A 105 -5.865 -1.835 -2.147 1.00 0.00 C ATOM 1669 O LEU A 105 -6.373 -0.849 -2.682 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.543 -1.904 -0.025 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.794 -0.605 -0.324 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.452 0.567 0.388 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.333 -0.726 0.083 1.00 0.00 C ATOM 0 H LEU A 105 -5.865 -3.989 0.108 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.583 -1.254 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.630 -2.009 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.938 -2.739 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.838 -0.422 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.905 1.483 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.483 0.667 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.440 0.392 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.815 0.208 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.269 -0.933 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.867 -1.539 -0.473 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.231 -2.783 -2.830 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.094 -2.718 -4.280 1.00 0.00 C ATOM 1687 C VAL A 106 -5.479 -4.043 -4.928 1.00 0.00 C ATOM 1688 O VAL A 106 -5.841 -5.001 -4.244 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.654 -2.357 -4.691 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.346 -0.909 -4.343 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.659 -3.297 -4.027 1.00 0.00 C ATOM 0 H VAL A 106 -4.804 -3.605 -2.402 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.770 -1.937 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.563 -2.473 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.324 -0.673 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.039 -0.253 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.454 -0.762 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.647 -3.027 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.749 -3.216 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.868 -4.322 -4.332 1.00 0.00 H new ATOM 1701 N THR A 107 -5.398 -4.092 -6.255 1.00 0.00 N ATOM 1702 CA THR A 107 -5.739 -5.299 -6.997 1.00 0.00 C ATOM 1703 C THR A 107 -4.560 -6.264 -7.048 1.00 0.00 C ATOM 1704 O THR A 107 -4.428 -7.049 -7.987 1.00 0.00 O ATOM 1705 CB THR A 107 -6.179 -4.969 -8.435 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.155 -4.223 -9.102 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.475 -4.172 -8.435 1.00 0.00 C ATOM 0 H THR A 107 -5.099 -3.309 -6.837 1.00 0.00 H new ATOM 0 HA THR A 107 -6.569 -5.770 -6.470 1.00 0.00 H new ATOM 0 HB THR A 107 -6.347 -5.907 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.442 -4.019 -10.016 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.766 -3.951 -9.462 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.260 -4.754 -7.953 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.329 -3.239 -7.890 1.00 0.00 H new ATOM 1715 N SER A 108 -3.705 -6.202 -6.031 1.00 0.00 N ATOM 1716 CA SER A 108 -2.535 -7.069 -5.962 1.00 0.00 C ATOM 1717 C SER A 108 -2.546 -7.895 -4.679 1.00 0.00 C ATOM 1718 O SER A 108 -2.379 -9.114 -4.712 1.00 0.00 O ATOM 1719 CB SER A 108 -1.253 -6.237 -6.036 1.00 0.00 C ATOM 1720 OG SER A 108 -0.107 -7.047 -5.836 1.00 0.00 O ATOM 0 H SER A 108 -3.801 -5.560 -5.244 1.00 0.00 H new ATOM 0 HA SER A 108 -2.567 -7.750 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.190 -5.746 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.282 -5.450 -5.282 1.00 0.00 H new ATOM 0 HG SER A 108 0.699 -6.492 -5.890 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.744 -7.221 -3.551 1.00 0.00 N ATOM 1727 CA ASP A 109 -2.778 -7.892 -2.257 1.00 0.00 C ATOM 1728 C ASP A 109 -3.886 -8.939 -2.216 1.00 0.00 C ATOM 1729 O ASP A 109 -4.805 -8.938 -3.035 1.00 0.00 O ATOM 1730 CB ASP A 109 -2.982 -6.872 -1.136 1.00 0.00 C ATOM 1731 CG ASP A 109 -3.706 -5.627 -1.610 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -4.800 -5.764 -2.196 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -3.177 -4.515 -1.397 1.00 0.00 O ATOM 0 H ASP A 109 -2.883 -6.212 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.822 -8.395 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.550 -7.333 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.013 -6.590 -0.724 1.00 0.00 H new ATOM 1738 N PRO A 110 -3.798 -9.857 -1.242 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.784 -10.928 -1.072 1.00 0.00 C ATOM 1740 C PRO A 110 -6.132 -10.403 -0.590 1.00 0.00 C ATOM 1741 O PRO A 110 -6.196 -9.448 0.183 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.150 -11.828 -0.008 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.243 -10.928 0.758 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.729 -9.919 -0.231 1.00 0.00 C ATOM 0 HA PRO A 110 -4.997 -11.439 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.908 -12.270 0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.599 -12.651 -0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.776 -10.439 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.423 -11.489 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.561 -8.949 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.780 -10.232 -0.668 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.207 -11.035 -1.052 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.554 -10.630 -0.668 1.00 0.00 C ATOM 1754 C GLU A 111 -8.913 -11.175 0.712 1.00 0.00 C ATOM 1755 O GLU A 111 -8.377 -12.194 1.147 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.572 -11.117 -1.701 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.240 -10.701 -3.125 1.00 0.00 C ATOM 1758 CD GLU A 111 -8.380 -11.722 -3.845 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -8.793 -12.898 -3.922 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -7.294 -11.344 -4.332 1.00 0.00 O ATOM 0 H GLU A 111 -7.171 -11.828 -1.692 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.581 -9.541 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.633 -12.204 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.557 -10.731 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.165 -10.554 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.722 -9.742 -3.108 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.823 -10.487 1.394 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.254 -10.902 2.723 1.00 0.00 C ATOM 1769 C ILE A 112 -11.767 -10.783 2.872 1.00 0.00 C ATOM 1770 O ILE A 112 -12.367 -9.797 2.447 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.574 -10.065 3.823 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.587 -8.582 3.446 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.149 -10.547 4.049 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.291 -7.661 4.609 1.00 0.00 C ATOM 0 H ILE A 112 -10.275 -9.641 1.048 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.960 -11.945 2.838 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.131 -10.190 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.852 -8.409 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.563 -8.329 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.681 -9.946 4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.163 -11.593 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.580 -10.448 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.317 -6.626 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.040 -7.806 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.303 -7.887 5.010 1.00 0.00 H new