USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 37 CYS SG : rot 24:sc= 0.187 USER MOD Set 1.2: A 51 HIS :FLIP no HD1:sc= -0.301 F(o=-4,f=-0.11) USER MOD Single : A 15 THR OG1 : rot 42:sc= 0.108 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -150:sc= -0.962 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 134:sc= -3.05! (180deg=-7.44!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 169:sc= -0.873 (180deg=-0.996) USER MOD Single : A 25 MET CE :methyl -151:sc= -0.184 (180deg=-0.473) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.69! C(o=-4.8!,f=-3.7!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.091 K(o=-0.091,f=-2.1!) USER MOD Single : A 49 CYS SG : rot 171:sc= 0.034 USER MOD Single : A 55 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.385 F(o=-3.2!,f=-0.38) USER MOD Single : A 61 GLN : amide:sc= -2.81! C(o=-2.8!,f=-2.8!) USER MOD Single : A 64 MET CE :methyl 162:sc= -2.22! (180deg=-3.31!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0296 USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0.276 (180deg=0.274) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.231 K(o=-0.23,f=-5.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 86 SER OG : rot 180:sc= -0.134 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= -0.0115 (180deg=-0.153) USER MOD Single : A 98 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.1!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 15 11.378 10.463 -7.060 1.00 0.00 N ATOM 199 CA THR A 15 11.832 10.084 -5.728 1.00 0.00 C ATOM 200 C THR A 15 12.384 8.663 -5.719 1.00 0.00 C ATOM 201 O THR A 15 11.665 7.704 -6.001 1.00 0.00 O ATOM 202 CB THR A 15 10.693 10.186 -4.696 1.00 0.00 C ATOM 203 OG1 THR A 15 10.122 11.499 -4.725 1.00 0.00 O ATOM 204 CG2 THR A 15 11.202 9.880 -3.295 1.00 0.00 C ATOM 0 HA THR A 15 12.624 10.781 -5.454 1.00 0.00 H new ATOM 0 HB THR A 15 9.930 9.452 -4.956 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.035 11.798 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.380 9.958 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.609 8.869 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.982 10.593 -3.028 1.00 0.00 H new ATOM 212 N THR A 16 13.666 8.533 -5.391 1.00 0.00 N ATOM 213 CA THR A 16 14.315 7.228 -5.346 1.00 0.00 C ATOM 214 C THR A 16 15.011 7.007 -4.008 1.00 0.00 C ATOM 215 O THR A 16 15.509 7.950 -3.393 1.00 0.00 O ATOM 216 CB THR A 16 15.346 7.074 -6.480 1.00 0.00 C ATOM 217 OG1 THR A 16 16.255 8.180 -6.469 1.00 0.00 O ATOM 218 CG2 THR A 16 14.654 6.992 -7.832 1.00 0.00 C ATOM 0 H THR A 16 14.275 9.315 -5.153 1.00 0.00 H new ATOM 0 HA THR A 16 13.532 6.480 -5.473 1.00 0.00 H new ATOM 0 HB THR A 16 15.899 6.149 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.908 8.074 -7.192 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.402 6.884 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.985 6.132 -7.847 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.079 7.902 -8.002 1.00 0.00 H new ATOM 226 N SER A 17 15.042 5.755 -3.562 1.00 0.00 N ATOM 227 CA SER A 17 15.675 5.410 -2.294 1.00 0.00 C ATOM 228 C SER A 17 16.639 4.241 -2.469 1.00 0.00 C ATOM 229 O SER A 17 16.233 3.134 -2.820 1.00 0.00 O ATOM 230 CB SER A 17 14.614 5.059 -1.249 1.00 0.00 C ATOM 231 OG SER A 17 15.141 5.150 0.063 1.00 0.00 O ATOM 0 H SER A 17 14.636 4.963 -4.060 1.00 0.00 H new ATOM 0 HA SER A 17 16.240 6.276 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.763 5.732 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.244 4.049 -1.427 1.00 0.00 H new ATOM 0 HG SER A 17 14.679 4.512 0.646 1.00 0.00 H new ATOM 237 N SER A 18 17.920 4.497 -2.221 1.00 0.00 N ATOM 238 CA SER A 18 18.945 3.468 -2.354 1.00 0.00 C ATOM 239 C SER A 18 19.182 2.762 -1.022 1.00 0.00 C ATOM 240 O SER A 18 20.190 2.995 -0.355 1.00 0.00 O ATOM 241 CB SER A 18 20.252 4.082 -2.859 1.00 0.00 C ATOM 242 OG SER A 18 21.267 3.100 -2.972 1.00 0.00 O ATOM 0 H SER A 18 18.273 5.408 -1.927 1.00 0.00 H new ATOM 0 HA SER A 18 18.595 2.732 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.086 4.551 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.576 4.867 -2.176 1.00 0.00 H new ATOM 0 HG SER A 18 22.091 3.518 -3.298 1.00 0.00 H new ATOM 248 N MET A 19 18.246 1.899 -0.642 1.00 0.00 N ATOM 249 CA MET A 19 18.353 1.158 0.609 1.00 0.00 C ATOM 250 C MET A 19 17.415 -0.045 0.611 1.00 0.00 C ATOM 251 O MET A 19 16.673 -0.266 -0.346 1.00 0.00 O ATOM 252 CB MET A 19 18.035 2.070 1.796 1.00 0.00 C ATOM 253 CG MET A 19 16.560 2.416 1.917 1.00 0.00 C ATOM 254 SD MET A 19 16.248 3.708 3.135 1.00 0.00 S ATOM 255 CE MET A 19 14.762 3.084 3.918 1.00 0.00 C ATOM 0 H MET A 19 17.405 1.696 -1.182 1.00 0.00 H new ATOM 0 HA MET A 19 19.377 0.797 0.702 1.00 0.00 H new ATOM 0 HB2 MET A 19 18.363 1.584 2.715 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.609 2.991 1.700 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.186 2.740 0.946 1.00 0.00 H new ATOM 0 HG3 MET A 19 16.002 1.521 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.861 3.161 5.001 1.00 0.00 H new ATOM 0 HE2 MET A 19 13.904 3.670 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.616 2.040 3.641 1.00 0.00 H new ATOM 265 N ASP A 20 17.453 -0.818 1.691 1.00 0.00 N ATOM 266 CA ASP A 20 16.606 -1.998 1.817 1.00 0.00 C ATOM 267 C ASP A 20 15.130 -1.609 1.818 1.00 0.00 C ATOM 268 O ASP A 20 14.729 -0.601 2.400 1.00 0.00 O ATOM 269 CB ASP A 20 16.946 -2.762 3.097 1.00 0.00 C ATOM 270 CG ASP A 20 18.087 -3.741 2.902 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.265 -4.225 1.764 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.802 -4.022 3.886 1.00 0.00 O ATOM 0 H ASP A 20 18.062 -0.648 2.492 1.00 0.00 H new ATOM 0 HA ASP A 20 16.793 -2.643 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 20 17.210 -2.052 3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.063 -3.301 3.440 1.00 0.00 H new ATOM 277 N PRO A 21 14.302 -2.427 1.151 1.00 0.00 N ATOM 278 CA PRO A 21 12.859 -2.189 1.060 1.00 0.00 C ATOM 279 C PRO A 21 12.151 -2.401 2.393 1.00 0.00 C ATOM 280 O PRO A 21 11.102 -1.811 2.651 1.00 0.00 O ATOM 281 CB PRO A 21 12.392 -3.227 0.036 1.00 0.00 C ATOM 282 CG PRO A 21 13.405 -4.317 0.113 1.00 0.00 C ATOM 283 CD PRO A 21 14.712 -3.646 0.434 1.00 0.00 C ATOM 0 HA PRO A 21 12.633 -1.160 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.394 -3.596 0.273 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.344 -2.801 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.140 -5.043 0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.466 -4.860 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.349 -4.280 1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.276 -3.411 -0.469 1.00 0.00 H new ATOM 291 N SER A 22 12.732 -3.247 3.238 1.00 0.00 N ATOM 292 CA SER A 22 12.154 -3.539 4.545 1.00 0.00 C ATOM 293 C SER A 22 12.110 -2.285 5.412 1.00 0.00 C ATOM 294 O SER A 22 11.265 -2.159 6.299 1.00 0.00 O ATOM 295 CB SER A 22 12.961 -4.632 5.250 1.00 0.00 C ATOM 296 OG SER A 22 14.328 -4.273 5.348 1.00 0.00 O ATOM 0 H SER A 22 13.602 -3.742 3.041 1.00 0.00 H new ATOM 0 HA SER A 22 11.134 -3.891 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.554 -4.803 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.866 -5.569 4.702 1.00 0.00 H new ATOM 0 HG SER A 22 14.822 -4.987 5.804 1.00 0.00 H new ATOM 302 N ASP A 23 13.027 -1.360 5.150 1.00 0.00 N ATOM 303 CA ASP A 23 13.093 -0.114 5.905 1.00 0.00 C ATOM 304 C ASP A 23 12.091 0.902 5.367 1.00 0.00 C ATOM 305 O ASP A 23 11.686 1.824 6.074 1.00 0.00 O ATOM 306 CB ASP A 23 14.507 0.467 5.849 1.00 0.00 C ATOM 307 CG ASP A 23 15.390 -0.051 6.967 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.136 0.304 8.137 1.00 0.00 O ATOM 309 OD2 ASP A 23 16.337 -0.811 6.673 1.00 0.00 O ATOM 0 H ASP A 23 13.735 -1.449 4.421 1.00 0.00 H new ATOM 0 HA ASP A 23 12.839 -0.333 6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.960 0.221 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.453 1.554 5.907 1.00 0.00 H new ATOM 314 N MET A 24 11.697 0.727 4.110 1.00 0.00 N ATOM 315 CA MET A 24 10.742 1.629 3.476 1.00 0.00 C ATOM 316 C MET A 24 9.321 1.334 3.946 1.00 0.00 C ATOM 317 O MET A 24 8.623 2.219 4.439 1.00 0.00 O ATOM 318 CB MET A 24 10.824 1.506 1.954 1.00 0.00 C ATOM 319 CG MET A 24 11.823 2.462 1.320 1.00 0.00 C ATOM 320 SD MET A 24 12.313 1.954 -0.339 1.00 0.00 S ATOM 321 CE MET A 24 11.186 2.925 -1.337 1.00 0.00 C ATOM 0 H MET A 24 12.024 -0.031 3.510 1.00 0.00 H new ATOM 0 HA MET A 24 10.997 2.649 3.765 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.097 0.483 1.694 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.837 1.690 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.387 3.460 1.276 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.709 2.528 1.952 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.489 2.873 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.175 2.531 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.207 3.963 -1.004 1.00 0.00 H new ATOM 331 N MET A 25 8.898 0.083 3.788 1.00 0.00 N ATOM 332 CA MET A 25 7.560 -0.328 4.197 1.00 0.00 C ATOM 333 C MET A 25 7.255 0.147 5.614 1.00 0.00 C ATOM 334 O MET A 25 6.114 0.482 5.933 1.00 0.00 O ATOM 335 CB MET A 25 7.425 -1.850 4.117 1.00 0.00 C ATOM 336 CG MET A 25 6.994 -2.350 2.748 1.00 0.00 C ATOM 337 SD MET A 25 5.377 -1.722 2.256 1.00 0.00 S ATOM 338 CE MET A 25 4.343 -3.145 2.598 1.00 0.00 C ATOM 0 H MET A 25 9.462 -0.662 3.380 1.00 0.00 H new ATOM 0 HA MET A 25 6.842 0.130 3.517 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.380 -2.306 4.377 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.701 -2.182 4.861 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.736 -2.052 2.007 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.969 -3.440 2.755 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.488 -3.145 1.922 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.921 -4.058 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.990 -3.099 3.628 1.00 0.00 H new ATOM 348 N ARG A 26 8.280 0.174 6.458 1.00 0.00 N ATOM 349 CA ARG A 26 8.120 0.607 7.841 1.00 0.00 C ATOM 350 C ARG A 26 7.681 2.067 7.906 1.00 0.00 C ATOM 351 O ARG A 26 6.624 2.384 8.450 1.00 0.00 O ATOM 352 CB ARG A 26 9.429 0.422 8.611 1.00 0.00 C ATOM 353 CG ARG A 26 9.571 -0.950 9.249 1.00 0.00 C ATOM 354 CD ARG A 26 11.022 -1.263 9.579 1.00 0.00 C ATOM 355 NE ARG A 26 11.506 -0.481 10.713 1.00 0.00 N ATOM 356 CZ ARG A 26 11.188 -0.743 11.976 1.00 0.00 C ATOM 357 NH1 ARG A 26 10.391 -1.762 12.264 1.00 0.00 N ATOM 358 NH2 ARG A 26 11.669 0.015 12.954 1.00 0.00 N ATOM 0 H ARG A 26 9.231 -0.099 6.209 1.00 0.00 H new ATOM 0 HA ARG A 26 7.346 -0.008 8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.266 0.586 7.933 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.494 1.183 9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.972 -0.993 10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.178 -1.709 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.122 -2.325 9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.644 -1.060 8.707 1.00 0.00 H new ATOM 0 HE ARG A 26 12.122 0.310 10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.020 -2.347 11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.148 -1.961 13.234 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.283 0.800 12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.424 -0.187 13.923 1.00 0.00 H new ATOM 372 N GLU A 27 8.502 2.952 7.348 1.00 0.00 N ATOM 373 CA GLU A 27 8.199 4.378 7.345 1.00 0.00 C ATOM 374 C GLU A 27 6.879 4.652 6.630 1.00 0.00 C ATOM 375 O GLU A 27 6.058 5.440 7.101 1.00 0.00 O ATOM 376 CB GLU A 27 9.328 5.161 6.671 1.00 0.00 C ATOM 377 CG GLU A 27 9.173 5.278 5.164 1.00 0.00 C ATOM 378 CD GLU A 27 10.187 6.220 4.544 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.987 6.809 5.300 1.00 0.00 O ATOM 380 OE2 GLU A 27 10.180 6.368 3.305 1.00 0.00 O ATOM 0 H GLU A 27 9.381 2.706 6.893 1.00 0.00 H new ATOM 0 HA GLU A 27 8.107 4.706 8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.372 6.161 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.278 4.676 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.278 4.291 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.167 5.629 4.932 1.00 0.00 H new ATOM 387 N ILE A 28 6.683 3.997 5.490 1.00 0.00 N ATOM 388 CA ILE A 28 5.463 4.169 4.711 1.00 0.00 C ATOM 389 C ILE A 28 4.225 3.913 5.563 1.00 0.00 C ATOM 390 O ILE A 28 3.188 4.550 5.376 1.00 0.00 O ATOM 391 CB ILE A 28 5.437 3.228 3.492 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.584 3.563 2.537 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.098 3.326 2.776 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.866 2.473 1.526 1.00 0.00 C ATOM 0 H ILE A 28 7.353 3.343 5.086 1.00 0.00 H new ATOM 0 HA ILE A 28 5.454 5.202 4.363 1.00 0.00 H new ATOM 0 HB ILE A 28 5.567 2.203 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.348 4.486 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.487 3.751 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.095 2.655 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.298 3.043 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.941 4.350 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.691 2.779 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.134 1.554 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.977 2.300 0.920 1.00 0.00 H new ATOM 406 N ARG A 29 4.342 2.979 6.502 1.00 0.00 N ATOM 407 CA ARG A 29 3.232 2.640 7.384 1.00 0.00 C ATOM 408 C ARG A 29 3.110 3.653 8.519 1.00 0.00 C ATOM 409 O ARG A 29 2.019 3.896 9.034 1.00 0.00 O ATOM 410 CB ARG A 29 3.421 1.234 7.959 1.00 0.00 C ATOM 411 CG ARG A 29 3.067 0.125 6.983 1.00 0.00 C ATOM 412 CD ARG A 29 3.387 -1.246 7.558 1.00 0.00 C ATOM 413 NE ARG A 29 2.265 -1.800 8.311 1.00 0.00 N ATOM 414 CZ ARG A 29 2.358 -2.878 9.082 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.515 -3.514 9.201 1.00 0.00 N ATOM 416 NH2 ARG A 29 1.292 -3.321 9.736 1.00 0.00 N ATOM 0 H ARG A 29 5.194 2.444 6.671 1.00 0.00 H new ATOM 0 HA ARG A 29 2.314 2.665 6.797 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.459 1.115 8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.806 1.130 8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.006 0.179 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.617 0.268 6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.651 -1.926 6.748 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.258 -1.172 8.208 1.00 0.00 H new ATOM 0 HE ARG A 29 1.360 -1.334 8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.337 -3.176 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.584 -4.341 9.794 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.400 -2.834 9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.364 -4.149 10.328 1.00 0.00 H new ATOM 430 N LYS A 30 4.238 4.241 8.903 1.00 0.00 N ATOM 431 CA LYS A 30 4.259 5.228 9.976 1.00 0.00 C ATOM 432 C LYS A 30 3.734 6.574 9.487 1.00 0.00 C ATOM 433 O LYS A 30 2.744 7.091 10.005 1.00 0.00 O ATOM 434 CB LYS A 30 5.681 5.390 10.520 1.00 0.00 C ATOM 435 CG LYS A 30 5.828 6.536 11.506 1.00 0.00 C ATOM 436 CD LYS A 30 7.288 6.835 11.800 1.00 0.00 C ATOM 437 CE LYS A 30 7.929 5.727 12.622 1.00 0.00 C ATOM 438 NZ LYS A 30 7.633 5.872 14.074 1.00 0.00 N ATOM 0 H LYS A 30 5.150 4.051 8.487 1.00 0.00 H new ATOM 0 HA LYS A 30 3.609 4.873 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.983 4.462 11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.364 5.550 9.686 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.347 7.427 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.313 6.287 12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.832 6.955 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.366 7.780 12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.568 4.760 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.008 5.739 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.087 5.098 14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.000 6.784 14.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.605 5.835 14.224 1.00 0.00 H new ATOM 452 N VAL A 31 4.403 7.136 8.485 1.00 0.00 N ATOM 453 CA VAL A 31 4.001 8.421 7.924 1.00 0.00 C ATOM 454 C VAL A 31 2.502 8.457 7.650 1.00 0.00 C ATOM 455 O VAL A 31 1.803 9.377 8.078 1.00 0.00 O ATOM 456 CB VAL A 31 4.758 8.724 6.618 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.052 9.819 5.833 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.198 9.114 6.915 1.00 0.00 C ATOM 0 H VAL A 31 5.225 6.722 8.045 1.00 0.00 H new ATOM 0 HA VAL A 31 4.250 9.181 8.664 1.00 0.00 H new ATOM 0 HB VAL A 31 4.769 7.821 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.602 10.019 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.040 9.496 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.008 10.727 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.718 9.325 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.212 10.003 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.698 8.295 7.432 1.00 0.00 H new ATOM 468 N LEU A 32 2.013 7.450 6.935 1.00 0.00 N ATOM 469 CA LEU A 32 0.595 7.366 6.603 1.00 0.00 C ATOM 470 C LEU A 32 -0.267 7.532 7.851 1.00 0.00 C ATOM 471 O LEU A 32 -1.013 8.502 7.978 1.00 0.00 O ATOM 472 CB LEU A 32 0.287 6.026 5.931 1.00 0.00 C ATOM 473 CG LEU A 32 0.797 5.861 4.499 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.818 4.392 4.106 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.063 6.661 3.532 1.00 0.00 C ATOM 0 H LEU A 32 2.577 6.681 6.574 1.00 0.00 H new ATOM 0 HA LEU A 32 0.360 8.175 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.713 5.230 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.794 5.883 5.929 1.00 0.00 H new ATOM 0 HG LEU A 32 1.816 6.244 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.184 4.294 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.476 3.844 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.190 3.983 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.314 6.532 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.093 6.308 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.027 7.717 3.801 1.00 0.00 H new ATOM 487 N GLY A 33 -0.157 6.578 8.771 1.00 0.00 N ATOM 488 CA GLY A 33 -0.930 6.639 9.998 1.00 0.00 C ATOM 489 C GLY A 33 -0.948 8.028 10.604 1.00 0.00 C ATOM 490 O GLY A 33 -1.973 8.475 11.117 1.00 0.00 O ATOM 0 H GLY A 33 0.453 5.765 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.953 6.321 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.515 5.936 10.720 1.00 0.00 H new ATOM 494 N ALA A 34 0.189 8.712 10.545 1.00 0.00 N ATOM 495 CA ALA A 34 0.300 10.059 11.092 1.00 0.00 C ATOM 496 C ALA A 34 -0.672 11.012 10.405 1.00 0.00 C ATOM 497 O ALA A 34 -1.271 11.873 11.048 1.00 0.00 O ATOM 498 CB ALA A 34 1.727 10.568 10.957 1.00 0.00 C ATOM 0 H ALA A 34 1.047 8.356 10.124 1.00 0.00 H new ATOM 0 HA ALA A 34 0.040 10.018 12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.795 11.575 11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.402 9.907 11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.008 10.588 9.904 1.00 0.00 H new ATOM 504 N ASN A 35 -0.822 10.852 9.094 1.00 0.00 N ATOM 505 CA ASN A 35 -1.720 11.701 8.319 1.00 0.00 C ATOM 506 C ASN A 35 -3.133 11.124 8.301 1.00 0.00 C ATOM 507 O ASN A 35 -3.802 11.125 7.269 1.00 0.00 O ATOM 508 CB ASN A 35 -1.202 11.854 6.887 1.00 0.00 C ATOM 509 CG ASN A 35 0.273 12.201 6.841 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.103 11.216 6.516 1.00 0.00 O flip ATOM 511 ND2 ASN A 35 0.662 13.342 7.093 1.00 0.00 N flip ATOM 0 H ASN A 35 -0.334 10.143 8.547 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.752 12.682 8.794 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.372 10.926 6.341 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.772 12.632 6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.011 14.068 7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.658 13.561 7.056 1.00 0.00 H new ATOM 518 N ASN A 36 -3.580 10.633 9.452 1.00 0.00 N ATOM 519 CA ASN A 36 -4.913 10.053 9.570 1.00 0.00 C ATOM 520 C ASN A 36 -5.244 9.200 8.349 1.00 0.00 C ATOM 521 O ASN A 36 -6.413 9.019 8.004 1.00 0.00 O ATOM 522 CB ASN A 36 -5.959 11.157 9.734 1.00 0.00 C ATOM 523 CG ASN A 36 -5.772 11.945 11.016 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.908 12.818 11.100 1.00 0.00 O ATOM 525 ND2 ASN A 36 -6.584 11.640 12.021 1.00 0.00 N ATOM 0 H ASN A 36 -3.039 10.625 10.317 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.928 9.414 10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.904 11.835 8.883 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.955 10.714 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.506 12.137 12.908 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.286 10.909 11.906 1.00 0.00 H new ATOM 532 N CYS A 37 -4.209 8.677 7.701 1.00 0.00 N ATOM 533 CA CYS A 37 -4.390 7.843 6.518 1.00 0.00 C ATOM 534 C CYS A 37 -4.600 6.384 6.909 1.00 0.00 C ATOM 535 O CYS A 37 -4.003 5.896 7.869 1.00 0.00 O ATOM 536 CB CYS A 37 -3.180 7.967 5.591 1.00 0.00 C ATOM 537 SG CYS A 37 -3.291 9.331 4.410 1.00 0.00 S ATOM 0 H CYS A 37 -3.236 8.816 7.975 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.279 8.190 5.991 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.283 8.098 6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.060 7.034 5.041 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.103 10.237 4.868 1.00 0.00 H new ATOM 543 N ASP A 38 -5.452 5.693 6.160 1.00 0.00 N ATOM 544 CA ASP A 38 -5.741 4.289 6.428 1.00 0.00 C ATOM 545 C ASP A 38 -5.011 3.385 5.439 1.00 0.00 C ATOM 546 O ASP A 38 -5.297 3.400 4.242 1.00 0.00 O ATOM 547 CB ASP A 38 -7.247 4.033 6.356 1.00 0.00 C ATOM 548 CG ASP A 38 -7.997 4.661 7.515 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.465 4.644 8.645 1.00 0.00 O ATOM 550 OD2 ASP A 38 -9.115 5.169 7.292 1.00 0.00 O ATOM 0 H ASP A 38 -5.955 6.082 5.362 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.389 4.057 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.636 4.430 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.430 2.959 6.348 1.00 0.00 H new ATOM 555 N TYR A 39 -4.068 2.600 5.948 1.00 0.00 N ATOM 556 CA TYR A 39 -3.294 1.692 5.109 1.00 0.00 C ATOM 557 C TYR A 39 -3.705 0.243 5.352 1.00 0.00 C ATOM 558 O TYR A 39 -3.906 -0.172 6.493 1.00 0.00 O ATOM 559 CB TYR A 39 -1.799 1.863 5.380 1.00 0.00 C ATOM 560 CG TYR A 39 -1.436 1.782 6.846 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.743 2.822 7.716 1.00 0.00 C ATOM 562 CD2 TYR A 39 -0.786 0.668 7.361 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.413 2.753 9.055 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.454 0.590 8.699 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.769 1.635 9.542 1.00 0.00 C ATOM 566 OH TYR A 39 -0.438 1.561 10.876 1.00 0.00 O ATOM 0 H TYR A 39 -3.821 2.574 6.937 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.497 1.938 4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.249 1.095 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.475 2.827 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.248 3.699 7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.536 -0.152 6.704 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.658 3.570 9.717 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.050 -0.285 9.083 1.00 0.00 H new ATOM 0 HH TYR A 39 0.010 0.708 11.055 1.00 0.00 H new ATOM 576 N GLU A 40 -3.826 -0.520 4.271 1.00 0.00 N ATOM 577 CA GLU A 40 -4.212 -1.923 4.366 1.00 0.00 C ATOM 578 C GLU A 40 -3.239 -2.809 3.593 1.00 0.00 C ATOM 579 O GLU A 40 -2.839 -2.481 2.477 1.00 0.00 O ATOM 580 CB GLU A 40 -5.633 -2.121 3.834 1.00 0.00 C ATOM 581 CG GLU A 40 -6.671 -1.261 4.535 1.00 0.00 C ATOM 582 CD GLU A 40 -8.082 -1.548 4.061 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.705 -2.492 4.591 1.00 0.00 O ATOM 584 OE2 GLU A 40 -8.564 -0.830 3.160 1.00 0.00 O ATOM 0 H GLU A 40 -3.662 -0.191 3.320 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.182 -2.211 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.647 -1.896 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.909 -3.170 3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.611 -1.430 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.441 -0.209 4.364 1.00 0.00 H new ATOM 591 N GLN A 41 -2.863 -3.932 4.197 1.00 0.00 N ATOM 592 CA GLN A 41 -1.936 -4.864 3.567 1.00 0.00 C ATOM 593 C GLN A 41 -2.650 -5.721 2.526 1.00 0.00 C ATOM 594 O GLN A 41 -3.309 -6.704 2.864 1.00 0.00 O ATOM 595 CB GLN A 41 -1.284 -5.760 4.621 1.00 0.00 C ATOM 596 CG GLN A 41 -0.009 -6.435 4.142 1.00 0.00 C ATOM 597 CD GLN A 41 1.220 -5.570 4.338 1.00 0.00 C ATOM 598 OE1 GLN A 41 1.223 -4.654 5.161 1.00 0.00 O ATOM 599 NE2 GLN A 41 2.273 -5.856 3.581 1.00 0.00 N ATOM 0 H GLN A 41 -3.186 -4.218 5.121 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.162 -4.283 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.059 -5.163 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.997 -6.525 4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.124 -7.374 4.679 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.109 -6.683 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.226 -6.624 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.128 -5.307 3.669 1.00 0.00 H new ATOM 608 N ARG A 42 -2.514 -5.341 1.260 1.00 0.00 N ATOM 609 CA ARG A 42 -3.147 -6.074 0.170 1.00 0.00 C ATOM 610 C ARG A 42 -2.260 -7.222 -0.301 1.00 0.00 C ATOM 611 O ARG A 42 -2.637 -8.389 -0.206 1.00 0.00 O ATOM 612 CB ARG A 42 -3.447 -5.134 -0.999 1.00 0.00 C ATOM 613 CG ARG A 42 -4.793 -4.437 -0.890 1.00 0.00 C ATOM 614 CD ARG A 42 -5.904 -5.271 -1.509 1.00 0.00 C ATOM 615 NE ARG A 42 -7.161 -4.532 -1.595 1.00 0.00 N ATOM 616 CZ ARG A 42 -8.324 -5.093 -1.906 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.389 -6.393 -2.160 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.424 -4.355 -1.964 1.00 0.00 N ATOM 0 H ARG A 42 -1.971 -4.530 0.964 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.083 -6.490 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.661 -4.381 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.416 -5.702 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.021 -4.246 0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.744 -3.468 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.603 -5.592 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.054 -6.173 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.145 -3.530 -1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.545 -6.964 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.283 -6.822 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.378 -3.355 -1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.316 -4.788 -2.203 1.00 0.00 H new ATOM 632 N GLU A 43 -1.079 -6.881 -0.809 1.00 0.00 N ATOM 633 CA GLU A 43 -0.139 -7.883 -1.296 1.00 0.00 C ATOM 634 C GLU A 43 1.108 -7.931 -0.419 1.00 0.00 C ATOM 635 O GLU A 43 1.186 -7.252 0.605 1.00 0.00 O ATOM 636 CB GLU A 43 0.253 -7.585 -2.745 1.00 0.00 C ATOM 637 CG GLU A 43 -0.885 -7.769 -3.734 1.00 0.00 C ATOM 638 CD GLU A 43 -0.530 -7.287 -5.128 1.00 0.00 C ATOM 639 OE1 GLU A 43 0.327 -7.924 -5.776 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.110 -6.273 -5.570 1.00 0.00 O ATOM 0 H GLU A 43 -0.751 -5.919 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.629 -8.856 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.618 -6.560 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.080 -8.236 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.157 -8.824 -3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.762 -7.227 -3.379 1.00 0.00 H new ATOM 647 N ARG A 44 2.082 -8.738 -0.828 1.00 0.00 N ATOM 648 CA ARG A 44 3.325 -8.876 -0.079 1.00 0.00 C ATOM 649 C ARG A 44 4.029 -7.530 0.059 1.00 0.00 C ATOM 650 O ARG A 44 4.573 -7.207 1.115 1.00 0.00 O ATOM 651 CB ARG A 44 4.251 -9.880 -0.768 1.00 0.00 C ATOM 652 CG ARG A 44 5.532 -10.155 0.002 1.00 0.00 C ATOM 653 CD ARG A 44 6.332 -11.283 -0.630 1.00 0.00 C ATOM 654 NE ARG A 44 5.689 -12.581 -0.442 1.00 0.00 N ATOM 655 CZ ARG A 44 6.275 -13.739 -0.728 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.509 -13.760 -1.211 1.00 0.00 N ATOM 657 NH2 ARG A 44 5.625 -14.879 -0.529 1.00 0.00 N ATOM 0 H ARG A 44 2.034 -9.306 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 44 3.081 -9.242 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.714 -10.818 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.506 -9.505 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.140 -9.251 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.290 -10.413 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.453 -11.089 -1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.331 -11.307 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 44 4.739 -12.600 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.012 -12.886 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.956 -14.650 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.676 -14.866 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.075 -15.768 -0.749 1.00 0.00 H new ATOM 671 N PHE A 45 4.016 -6.748 -1.016 1.00 0.00 N ATOM 672 CA PHE A 45 4.655 -5.437 -1.016 1.00 0.00 C ATOM 673 C PHE A 45 3.717 -4.376 -1.584 1.00 0.00 C ATOM 674 O PHE A 45 4.115 -3.561 -2.418 1.00 0.00 O ATOM 675 CB PHE A 45 5.950 -5.478 -1.830 1.00 0.00 C ATOM 676 CG PHE A 45 7.119 -6.036 -1.069 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.631 -5.365 0.030 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.704 -7.232 -1.452 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.707 -5.877 0.731 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.780 -7.749 -0.755 1.00 0.00 C ATOM 681 CZ PHE A 45 9.281 -7.070 0.339 1.00 0.00 C ATOM 0 H PHE A 45 3.570 -7.000 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 45 4.891 -5.174 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.789 -6.079 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.192 -4.469 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.185 -4.432 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.315 -7.767 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.098 -5.344 1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.228 -8.682 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.121 -7.472 0.887 1.00 0.00 H new ATOM 691 N LEU A 46 2.470 -4.391 -1.126 1.00 0.00 N ATOM 692 CA LEU A 46 1.474 -3.430 -1.588 1.00 0.00 C ATOM 693 C LEU A 46 0.573 -2.986 -0.440 1.00 0.00 C ATOM 694 O LEU A 46 0.248 -3.774 0.449 1.00 0.00 O ATOM 695 CB LEU A 46 0.629 -4.040 -2.708 1.00 0.00 C ATOM 696 CG LEU A 46 -0.195 -3.056 -3.538 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.710 -2.216 -4.425 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.226 -3.798 -4.376 1.00 0.00 C ATOM 0 H LEU A 46 2.124 -5.058 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 46 1.999 -2.556 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.292 -4.585 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.050 -4.770 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.722 -2.388 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.105 -1.522 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.409 -1.655 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.265 -2.868 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.804 -3.082 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.719 -4.490 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.895 -4.355 -3.720 1.00 0.00 H new ATOM 710 N LEU A 47 0.170 -1.721 -0.467 1.00 0.00 N ATOM 711 CA LEU A 47 -0.696 -1.171 0.571 1.00 0.00 C ATOM 712 C LEU A 47 -1.807 -0.324 -0.040 1.00 0.00 C ATOM 713 O LEU A 47 -1.708 0.116 -1.186 1.00 0.00 O ATOM 714 CB LEU A 47 0.121 -0.330 1.553 1.00 0.00 C ATOM 715 CG LEU A 47 1.265 -1.052 2.265 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.307 -0.055 2.748 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.734 -1.877 3.428 1.00 0.00 C ATOM 0 H LEU A 47 0.429 -1.056 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.152 -2.003 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.535 0.522 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.556 0.070 2.308 1.00 0.00 H new ATOM 0 HG LEU A 47 1.741 -1.728 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.114 -0.587 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.710 0.492 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.845 0.646 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.563 -2.384 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.232 -1.222 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.026 -2.618 3.056 1.00 0.00 H new ATOM 729 N PHE A 48 -2.865 -0.098 0.732 1.00 0.00 N ATOM 730 CA PHE A 48 -3.995 0.699 0.268 1.00 0.00 C ATOM 731 C PHE A 48 -4.157 1.958 1.114 1.00 0.00 C ATOM 732 O PHE A 48 -4.775 1.927 2.179 1.00 0.00 O ATOM 733 CB PHE A 48 -5.281 -0.129 0.312 1.00 0.00 C ATOM 734 CG PHE A 48 -6.412 0.479 -0.468 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.564 0.209 -1.818 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.323 1.321 0.150 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.603 0.768 -2.538 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.365 1.882 -0.565 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.505 1.604 -1.910 1.00 0.00 C ATOM 0 H PHE A 48 -2.963 -0.456 1.682 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.799 0.998 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.076 -1.126 -0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.590 -0.251 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.863 -0.446 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.218 1.541 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.709 0.551 -3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.068 2.537 -0.072 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.319 2.040 -2.470 1.00 0.00 H new ATOM 749 N CYS A 49 -3.599 3.063 0.633 1.00 0.00 N ATOM 750 CA CYS A 49 -3.680 4.333 1.345 1.00 0.00 C ATOM 751 C CYS A 49 -5.030 5.003 1.109 1.00 0.00 C ATOM 752 O CYS A 49 -5.616 4.881 0.034 1.00 0.00 O ATOM 753 CB CYS A 49 -2.550 5.264 0.900 1.00 0.00 C ATOM 754 SG CYS A 49 -0.912 4.500 0.922 1.00 0.00 S ATOM 0 H CYS A 49 -3.085 3.105 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.576 4.131 2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.761 5.617 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.539 6.140 1.548 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.055 5.294 0.352 1.00 0.00 H new ATOM 760 N VAL A 50 -5.518 5.710 2.124 1.00 0.00 N ATOM 761 CA VAL A 50 -6.800 6.399 2.028 1.00 0.00 C ATOM 762 C VAL A 50 -6.791 7.690 2.838 1.00 0.00 C ATOM 763 O VAL A 50 -6.447 7.692 4.020 1.00 0.00 O ATOM 764 CB VAL A 50 -7.955 5.506 2.519 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.188 6.345 2.817 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.269 4.429 1.491 1.00 0.00 C ATOM 0 H VAL A 50 -5.046 5.821 3.021 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.955 6.635 0.975 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.646 5.016 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.994 5.698 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.953 7.076 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.503 6.864 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.087 3.807 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.559 4.897 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.386 3.810 1.331 1.00 0.00 H new ATOM 776 N HIS A 51 -7.173 8.789 2.193 1.00 0.00 N ATOM 777 CA HIS A 51 -7.210 10.088 2.854 1.00 0.00 C ATOM 778 C HIS A 51 -8.395 10.914 2.362 1.00 0.00 C ATOM 779 O HIS A 51 -8.905 10.693 1.265 1.00 0.00 O ATOM 780 CB HIS A 51 -5.906 10.848 2.607 1.00 0.00 C ATOM 781 CG HIS A 51 -5.636 11.920 3.617 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.272 11.839 4.918 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.734 13.266 3.331 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.156 13.124 5.389 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.440 13.966 4.411 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.461 8.805 1.215 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.326 9.920 3.925 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.077 10.141 2.610 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.939 11.296 1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.008 13.682 2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.878 13.401 6.395 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.433 14.984 4.479 1.00 0.00 H new ATOM 794 N GLY A 52 -8.828 11.867 3.182 1.00 0.00 N ATOM 795 CA GLY A 52 -9.949 12.711 2.813 1.00 0.00 C ATOM 796 C GLY A 52 -9.715 14.169 3.153 1.00 0.00 C ATOM 797 O GLY A 52 -10.079 14.627 4.236 1.00 0.00 O ATOM 0 H GLY A 52 -8.422 12.069 4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.134 12.616 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.846 12.362 3.324 1.00 0.00 H new ATOM 801 N ASP A 53 -9.104 14.900 2.227 1.00 0.00 N ATOM 802 CA ASP A 53 -8.820 16.315 2.434 1.00 0.00 C ATOM 803 C ASP A 53 -9.900 17.185 1.798 1.00 0.00 C ATOM 804 O ASP A 53 -9.605 18.077 1.004 1.00 0.00 O ATOM 805 CB ASP A 53 -7.451 16.673 1.853 1.00 0.00 C ATOM 806 CG ASP A 53 -6.975 18.043 2.295 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.942 18.294 3.519 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.634 18.864 1.418 1.00 0.00 O ATOM 0 H ASP A 53 -8.796 14.536 1.325 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.811 16.505 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.722 15.922 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.502 16.643 0.765 1.00 0.00 H new ATOM 813 N GLY A 54 -11.153 16.917 2.152 1.00 0.00 N ATOM 814 CA GLY A 54 -12.258 17.682 1.605 1.00 0.00 C ATOM 815 C GLY A 54 -13.601 17.025 1.858 1.00 0.00 C ATOM 816 O GLY A 54 -13.981 16.794 3.006 1.00 0.00 O ATOM 0 H GLY A 54 -11.423 16.184 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.257 18.680 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.114 17.805 0.532 1.00 0.00 H new ATOM 820 N HIS A 55 -14.322 16.723 0.783 1.00 0.00 N ATOM 821 CA HIS A 55 -15.631 16.089 0.893 1.00 0.00 C ATOM 822 C HIS A 55 -15.531 14.589 0.635 1.00 0.00 C ATOM 823 O HIS A 55 -14.603 14.123 -0.026 1.00 0.00 O ATOM 824 CB HIS A 55 -16.613 16.724 -0.091 1.00 0.00 C ATOM 825 CG HIS A 55 -16.803 18.195 0.116 1.00 0.00 C ATOM 826 ND1 HIS A 55 -18.000 18.750 0.517 1.00 0.00 N ATOM 827 CD2 HIS A 55 -15.939 19.227 -0.023 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.864 20.060 0.614 1.00 0.00 C ATOM 829 NE2 HIS A 55 -16.622 20.376 0.293 1.00 0.00 N ATOM 0 H HIS A 55 -14.022 16.907 -0.174 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.997 16.241 1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -16.259 16.551 -1.107 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.578 16.225 -0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.905 19.160 -0.326 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.637 20.755 0.906 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.234 21.319 0.282 1.00 0.00 H new ATOM 838 N ALA A 56 -16.492 13.837 1.162 1.00 0.00 N ATOM 839 CA ALA A 56 -16.513 12.390 0.987 1.00 0.00 C ATOM 840 C ALA A 56 -16.350 12.012 -0.481 1.00 0.00 C ATOM 841 O ALA A 56 -15.520 11.171 -0.826 1.00 0.00 O ATOM 842 CB ALA A 56 -17.805 11.810 1.543 1.00 0.00 C ATOM 0 H ALA A 56 -17.266 14.206 1.714 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.672 11.970 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.807 10.729 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.880 12.041 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.655 12.244 1.017 1.00 0.00 H new ATOM 848 N GLU A 57 -17.147 12.639 -1.341 1.00 0.00 N ATOM 849 CA GLU A 57 -17.090 12.366 -2.772 1.00 0.00 C ATOM 850 C GLU A 57 -15.729 12.748 -3.346 1.00 0.00 C ATOM 851 O GLU A 57 -15.349 12.295 -4.425 1.00 0.00 O ATOM 852 CB GLU A 57 -18.197 13.129 -3.504 1.00 0.00 C ATOM 853 CG GLU A 57 -19.440 13.356 -2.660 1.00 0.00 C ATOM 854 CD GLU A 57 -19.384 14.654 -1.877 1.00 0.00 C ATOM 855 OE1 GLU A 57 -19.267 15.724 -2.511 1.00 0.00 O ATOM 856 OE2 GLU A 57 -19.458 14.600 -0.632 1.00 0.00 O ATOM 0 H GLU A 57 -17.839 13.339 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.238 11.296 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.808 14.094 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.474 12.578 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -20.317 13.364 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.562 12.523 -1.967 1.00 0.00 H new ATOM 863 N ASN A 58 -14.999 13.584 -2.616 1.00 0.00 N ATOM 864 CA ASN A 58 -13.680 14.029 -3.051 1.00 0.00 C ATOM 865 C ASN A 58 -12.580 13.281 -2.305 1.00 0.00 C ATOM 866 O ASN A 58 -11.523 13.841 -2.010 1.00 0.00 O ATOM 867 CB ASN A 58 -13.528 15.535 -2.832 1.00 0.00 C ATOM 868 CG ASN A 58 -14.441 16.346 -3.731 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.701 15.936 -3.819 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.018 17.329 -4.340 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.299 13.968 -1.720 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.584 13.813 -4.115 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.745 15.771 -1.790 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.493 15.823 -3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.042 17.608 -4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.644 17.864 -4.942 1.00 0.00 H new ATOM 877 N LEU A 59 -12.835 12.013 -2.001 1.00 0.00 N ATOM 878 CA LEU A 59 -11.866 11.187 -1.289 1.00 0.00 C ATOM 879 C LEU A 59 -10.747 10.734 -2.222 1.00 0.00 C ATOM 880 O LEU A 59 -10.960 10.550 -3.420 1.00 0.00 O ATOM 881 CB LEU A 59 -12.559 9.969 -0.676 1.00 0.00 C ATOM 882 CG LEU A 59 -11.797 9.257 0.443 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.782 10.108 1.704 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.414 7.894 0.725 1.00 0.00 C ATOM 0 H LEU A 59 -13.705 11.535 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.428 11.788 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.527 10.284 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.755 9.249 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.768 9.108 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.236 9.585 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.294 11.060 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.805 10.289 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.859 7.402 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -13.453 8.021 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.372 7.282 -0.176 1.00 0.00 H new ATOM 896 N VAL A 60 -9.555 10.554 -1.663 1.00 0.00 N ATOM 897 CA VAL A 60 -8.402 10.119 -2.443 1.00 0.00 C ATOM 898 C VAL A 60 -7.919 8.746 -1.991 1.00 0.00 C ATOM 899 O VAL A 60 -7.742 8.502 -0.797 1.00 0.00 O ATOM 900 CB VAL A 60 -7.239 11.123 -2.333 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.992 10.571 -3.008 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.633 12.462 -2.937 1.00 0.00 C ATOM 0 H VAL A 60 -9.362 10.703 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.726 10.062 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.014 11.278 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.181 11.294 -2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.700 9.638 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.200 10.386 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.800 13.159 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.885 12.327 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.497 12.861 -2.405 1.00 0.00 H new ATOM 912 N GLN A 61 -7.707 7.853 -2.952 1.00 0.00 N ATOM 913 CA GLN A 61 -7.243 6.503 -2.652 1.00 0.00 C ATOM 914 C GLN A 61 -6.130 6.085 -3.606 1.00 0.00 C ATOM 915 O GLN A 61 -6.312 6.085 -4.824 1.00 0.00 O ATOM 916 CB GLN A 61 -8.405 5.512 -2.737 1.00 0.00 C ATOM 917 CG GLN A 61 -9.481 5.743 -1.689 1.00 0.00 C ATOM 918 CD GLN A 61 -10.841 5.235 -2.126 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.996 4.717 -3.232 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.835 5.380 -1.258 1.00 0.00 N ATOM 0 H GLN A 61 -7.849 8.039 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.845 6.499 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.855 5.577 -3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.016 4.499 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.193 5.247 -0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.548 6.809 -1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.661 5.815 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.772 5.056 -1.497 1.00 0.00 H new ATOM 929 N TRP A 62 -4.980 5.729 -3.046 1.00 0.00 N ATOM 930 CA TRP A 62 -3.837 5.308 -3.849 1.00 0.00 C ATOM 931 C TRP A 62 -3.071 4.186 -3.158 1.00 0.00 C ATOM 932 O TRP A 62 -3.052 4.099 -1.931 1.00 0.00 O ATOM 933 CB TRP A 62 -2.906 6.494 -4.109 1.00 0.00 C ATOM 934 CG TRP A 62 -2.193 6.969 -2.879 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.869 6.809 -2.586 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.766 7.681 -1.777 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.584 7.378 -1.368 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.731 7.920 -0.852 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.052 8.141 -1.482 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.945 8.597 0.345 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.263 8.813 -0.293 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.214 9.037 0.608 1.00 0.00 C ATOM 0 H TRP A 62 -4.814 5.723 -2.040 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.211 4.934 -4.802 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.169 6.211 -4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.486 7.318 -4.525 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.151 6.309 -3.219 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.333 7.394 -0.921 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.867 7.974 -2.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.138 8.769 1.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.253 9.172 -0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.410 9.567 1.528 1.00 0.00 H new ATOM 953 N GLU A 63 -2.440 3.328 -3.955 1.00 0.00 N ATOM 954 CA GLU A 63 -1.672 2.211 -3.418 1.00 0.00 C ATOM 955 C GLU A 63 -0.183 2.542 -3.380 1.00 0.00 C ATOM 956 O GLU A 63 0.246 3.580 -3.883 1.00 0.00 O ATOM 957 CB GLU A 63 -1.904 0.953 -4.258 1.00 0.00 C ATOM 958 CG GLU A 63 -3.366 0.706 -4.592 1.00 0.00 C ATOM 959 CD GLU A 63 -3.568 -0.529 -5.448 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.219 -0.484 -6.646 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.074 -1.540 -4.919 1.00 0.00 O ATOM 0 H GLU A 63 -2.446 3.385 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.012 2.027 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.337 1.036 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.512 0.090 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.933 0.599 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.767 1.575 -5.114 1.00 0.00 H new ATOM 968 N MET A 64 0.600 1.653 -2.778 1.00 0.00 N ATOM 969 CA MET A 64 2.041 1.850 -2.674 1.00 0.00 C ATOM 970 C MET A 64 2.771 0.511 -2.623 1.00 0.00 C ATOM 971 O MET A 64 2.453 -0.347 -1.801 1.00 0.00 O ATOM 972 CB MET A 64 2.376 2.675 -1.430 1.00 0.00 C ATOM 973 CG MET A 64 1.751 4.060 -1.432 1.00 0.00 C ATOM 974 SD MET A 64 2.282 5.064 -0.032 1.00 0.00 S ATOM 975 CE MET A 64 3.899 5.595 -0.590 1.00 0.00 C ATOM 0 H MET A 64 0.261 0.789 -2.355 1.00 0.00 H new ATOM 0 HA MET A 64 2.373 2.391 -3.560 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.040 2.135 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.459 2.774 -1.351 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.011 4.570 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.665 3.964 -1.414 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.220 6.458 -0.006 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.614 4.782 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.848 5.869 -1.644 1.00 0.00 H new ATOM 985 N GLU A 65 3.749 0.341 -3.507 1.00 0.00 N ATOM 986 CA GLU A 65 4.522 -0.894 -3.562 1.00 0.00 C ATOM 987 C GLU A 65 5.997 -0.602 -3.822 1.00 0.00 C ATOM 988 O GLU A 65 6.339 0.195 -4.697 1.00 0.00 O ATOM 989 CB GLU A 65 3.973 -1.817 -4.653 1.00 0.00 C ATOM 990 CG GLU A 65 5.016 -2.756 -5.236 1.00 0.00 C ATOM 991 CD GLU A 65 4.459 -3.628 -6.345 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.233 -3.864 -6.357 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.251 -4.075 -7.201 1.00 0.00 O ATOM 0 H GLU A 65 4.025 1.042 -4.194 1.00 0.00 H new ATOM 0 HA GLU A 65 4.433 -1.392 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.155 -2.407 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.554 -1.209 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.851 -2.171 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.412 -3.391 -4.443 1.00 0.00 H new ATOM 1000 N VAL A 66 6.867 -1.252 -3.056 1.00 0.00 N ATOM 1001 CA VAL A 66 8.305 -1.063 -3.203 1.00 0.00 C ATOM 1002 C VAL A 66 8.924 -2.181 -4.034 1.00 0.00 C ATOM 1003 O VAL A 66 8.738 -3.363 -3.740 1.00 0.00 O ATOM 1004 CB VAL A 66 9.007 -1.008 -1.833 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.483 -0.681 -2.002 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.327 0.008 -0.927 1.00 0.00 C ATOM 0 H VAL A 66 6.601 -1.914 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 66 8.448 -0.111 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 66 8.929 -1.989 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.962 -0.646 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.958 -1.449 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.587 0.287 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.836 0.034 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.373 0.995 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.285 -0.276 -0.780 1.00 0.00 H new ATOM 1016 N CYS A 67 9.661 -1.801 -5.072 1.00 0.00 N ATOM 1017 CA CYS A 67 10.308 -2.772 -5.947 1.00 0.00 C ATOM 1018 C CYS A 67 11.343 -2.095 -6.839 1.00 0.00 C ATOM 1019 O CYS A 67 11.190 -0.932 -7.214 1.00 0.00 O ATOM 1020 CB CYS A 67 9.266 -3.488 -6.807 1.00 0.00 C ATOM 1021 SG CYS A 67 9.907 -4.924 -7.700 1.00 0.00 S ATOM 0 H CYS A 67 9.825 -0.827 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 67 10.818 -3.505 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.442 -3.808 -6.169 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.855 -2.780 -7.527 1.00 0.00 H new ATOM 0 HG CYS A 67 8.951 -5.464 -8.397 1.00 0.00 H new ATOM 1027 N LYS A 68 12.399 -2.829 -7.174 1.00 0.00 N ATOM 1028 CA LYS A 68 13.461 -2.301 -8.022 1.00 0.00 C ATOM 1029 C LYS A 68 12.897 -1.779 -9.340 1.00 0.00 C ATOM 1030 O LYS A 68 12.325 -2.537 -10.125 1.00 0.00 O ATOM 1031 CB LYS A 68 14.508 -3.383 -8.296 1.00 0.00 C ATOM 1032 CG LYS A 68 15.693 -2.890 -9.109 1.00 0.00 C ATOM 1033 CD LYS A 68 16.370 -4.028 -9.854 1.00 0.00 C ATOM 1034 CE LYS A 68 17.318 -3.508 -10.924 1.00 0.00 C ATOM 1035 NZ LYS A 68 16.585 -3.014 -12.122 1.00 0.00 N ATOM 0 H LYS A 68 12.542 -3.792 -6.871 1.00 0.00 H new ATOM 0 HA LYS A 68 13.933 -1.472 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.869 -3.777 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.034 -4.210 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.358 -2.136 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.413 -2.407 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.922 -4.649 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.614 -4.664 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.924 -2.702 -10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.003 -4.303 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.267 -2.684 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.013 -3.785 -12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.963 -2.227 -11.848 1.00 0.00 H new ATOM 1049 N LEU A 69 13.062 -0.483 -9.576 1.00 0.00 N ATOM 1050 CA LEU A 69 12.570 0.140 -10.801 1.00 0.00 C ATOM 1051 C LEU A 69 13.149 -0.548 -12.032 1.00 0.00 C ATOM 1052 O LEU A 69 14.321 -0.925 -12.070 1.00 0.00 O ATOM 1053 CB LEU A 69 12.927 1.628 -10.818 1.00 0.00 C ATOM 1054 CG LEU A 69 12.501 2.434 -9.591 1.00 0.00 C ATOM 1055 CD1 LEU A 69 13.127 3.820 -9.620 1.00 0.00 C ATOM 1056 CD2 LEU A 69 10.985 2.533 -9.517 1.00 0.00 C ATOM 0 H LEU A 69 13.532 0.157 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 69 11.486 0.032 -10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.007 1.721 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.474 2.080 -11.700 1.00 0.00 H new ATOM 0 HG LEU A 69 12.854 1.916 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.813 4.380 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.213 3.729 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.804 4.346 -10.518 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.701 3.110 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.609 3.027 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.558 1.532 -9.448 1.00 0.00 H new ATOM 1068 N PRO A 70 12.312 -0.715 -13.066 1.00 0.00 N ATOM 1069 CA PRO A 70 12.719 -1.356 -14.320 1.00 0.00 C ATOM 1070 C PRO A 70 13.692 -0.497 -15.121 1.00 0.00 C ATOM 1071 O PRO A 70 14.405 -0.997 -15.991 1.00 0.00 O ATOM 1072 CB PRO A 70 11.401 -1.520 -15.080 1.00 0.00 C ATOM 1073 CG PRO A 70 10.514 -0.453 -14.535 1.00 0.00 C ATOM 1074 CD PRO A 70 10.902 -0.291 -13.091 1.00 0.00 C ATOM 0 HA PRO A 70 13.245 -2.294 -14.145 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.546 -1.404 -16.154 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.973 -2.510 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.645 0.481 -15.082 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.465 -0.732 -14.628 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.787 0.740 -12.757 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.285 -0.908 -12.438 1.00 0.00 H new ATOM 1082 N ARG A 71 13.716 0.798 -14.820 1.00 0.00 N ATOM 1083 CA ARG A 71 14.601 1.726 -15.513 1.00 0.00 C ATOM 1084 C ARG A 71 15.884 1.950 -14.718 1.00 0.00 C ATOM 1085 O ARG A 71 16.988 1.773 -15.236 1.00 0.00 O ATOM 1086 CB ARG A 71 13.893 3.062 -15.746 1.00 0.00 C ATOM 1087 CG ARG A 71 14.412 3.824 -16.954 1.00 0.00 C ATOM 1088 CD ARG A 71 15.691 4.580 -16.629 1.00 0.00 C ATOM 1089 NE ARG A 71 16.547 4.736 -17.801 1.00 0.00 N ATOM 1090 CZ ARG A 71 17.729 5.342 -17.773 1.00 0.00 C ATOM 1091 NH1 ARG A 71 18.191 5.847 -16.638 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.451 5.445 -18.882 1.00 0.00 N ATOM 0 H ARG A 71 13.133 1.227 -14.101 1.00 0.00 H new ATOM 0 HA ARG A 71 14.862 1.288 -16.476 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.826 2.881 -15.873 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.008 3.684 -14.858 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.597 3.128 -17.772 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.651 4.525 -17.298 1.00 0.00 H new ATOM 0 HD2 ARG A 71 15.440 5.563 -16.230 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.237 4.050 -15.849 1.00 0.00 H new ATOM 0 HE ARG A 71 16.220 4.359 -18.690 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.639 5.771 -15.784 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.099 6.312 -16.619 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.099 5.059 -19.758 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.358 5.911 -18.859 1.00 0.00 H new ATOM 1106 N LEU A 72 15.732 2.340 -13.457 1.00 0.00 N ATOM 1107 CA LEU A 72 16.878 2.589 -12.590 1.00 0.00 C ATOM 1108 C LEU A 72 17.230 1.344 -11.782 1.00 0.00 C ATOM 1109 O LEU A 72 16.414 0.434 -11.639 1.00 0.00 O ATOM 1110 CB LEU A 72 16.585 3.757 -11.646 1.00 0.00 C ATOM 1111 CG LEU A 72 16.684 5.155 -12.258 1.00 0.00 C ATOM 1112 CD1 LEU A 72 15.388 5.523 -12.962 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.022 6.182 -11.187 1.00 0.00 C ATOM 0 H LEU A 72 14.826 2.491 -13.012 1.00 0.00 H new ATOM 0 HA LEU A 72 17.730 2.844 -13.220 1.00 0.00 H new ATOM 0 HB2 LEU A 72 15.581 3.629 -11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.276 3.701 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 72 17.485 5.152 -12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.478 6.521 -13.391 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.188 4.803 -13.756 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.568 5.509 -12.245 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.089 7.171 -11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.242 6.183 -10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.977 5.928 -10.728 1.00 0.00 H new ATOM 1125 N SER A 73 18.450 1.312 -11.254 1.00 0.00 N ATOM 1126 CA SER A 73 18.910 0.179 -10.462 1.00 0.00 C ATOM 1127 C SER A 73 18.733 0.450 -8.971 1.00 0.00 C ATOM 1128 O SER A 73 19.589 0.100 -8.157 1.00 0.00 O ATOM 1129 CB SER A 73 20.380 -0.120 -10.765 1.00 0.00 C ATOM 1130 OG SER A 73 20.522 -0.748 -12.028 1.00 0.00 O ATOM 0 H SER A 73 19.137 2.058 -11.361 1.00 0.00 H new ATOM 0 HA SER A 73 18.307 -0.688 -10.731 1.00 0.00 H new ATOM 0 HB2 SER A 73 20.954 0.807 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.792 -0.763 -9.987 1.00 0.00 H new ATOM 0 HG SER A 73 21.470 -0.927 -12.199 1.00 0.00 H new ATOM 1136 N LEU A 74 17.615 1.076 -8.619 1.00 0.00 N ATOM 1137 CA LEU A 74 17.323 1.395 -7.226 1.00 0.00 C ATOM 1138 C LEU A 74 15.904 0.974 -6.857 1.00 0.00 C ATOM 1139 O LEU A 74 15.168 0.442 -7.687 1.00 0.00 O ATOM 1140 CB LEU A 74 17.503 2.893 -6.977 1.00 0.00 C ATOM 1141 CG LEU A 74 18.647 3.567 -7.736 1.00 0.00 C ATOM 1142 CD1 LEU A 74 18.354 5.046 -7.940 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.963 3.379 -6.996 1.00 0.00 C ATOM 0 H LEU A 74 16.896 1.373 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 74 18.022 0.842 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.573 3.399 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.661 3.047 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 74 18.734 3.096 -8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.179 5.509 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.434 5.159 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.239 5.531 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.765 3.865 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.889 3.822 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.179 2.315 -6.903 1.00 0.00 H new ATOM 1155 N ASN A 75 15.526 1.217 -5.606 1.00 0.00 N ATOM 1156 CA ASN A 75 14.195 0.865 -5.127 1.00 0.00 C ATOM 1157 C ASN A 75 13.370 2.116 -4.844 1.00 0.00 C ATOM 1158 O ASN A 75 13.617 2.829 -3.872 1.00 0.00 O ATOM 1159 CB ASN A 75 14.295 0.009 -3.863 1.00 0.00 C ATOM 1160 CG ASN A 75 14.953 -1.332 -4.123 1.00 0.00 C ATOM 1161 OD1 ASN A 75 15.718 -1.486 -5.075 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.658 -2.310 -3.275 1.00 0.00 N ATOM 0 H ASN A 75 16.123 1.657 -4.906 1.00 0.00 H new ATOM 0 HA ASN A 75 13.695 0.291 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.864 0.549 -3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.296 -0.152 -3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.071 -3.234 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.018 -2.137 -2.500 1.00 0.00 H new ATOM 1169 N GLY A 76 12.387 2.377 -5.700 1.00 0.00 N ATOM 1170 CA GLY A 76 11.539 3.542 -5.525 1.00 0.00 C ATOM 1171 C GLY A 76 10.137 3.177 -5.080 1.00 0.00 C ATOM 1172 O GLY A 76 9.759 2.006 -5.093 1.00 0.00 O ATOM 0 H GLY A 76 12.162 1.802 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.989 4.208 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.487 4.094 -6.464 1.00 0.00 H new ATOM 1176 N VAL A 77 9.363 4.183 -4.684 1.00 0.00 N ATOM 1177 CA VAL A 77 7.994 3.962 -4.233 1.00 0.00 C ATOM 1178 C VAL A 77 7.005 4.112 -5.383 1.00 0.00 C ATOM 1179 O VAL A 77 7.169 4.974 -6.247 1.00 0.00 O ATOM 1180 CB VAL A 77 7.609 4.942 -3.108 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.113 4.885 -2.839 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.399 4.638 -1.844 1.00 0.00 C ATOM 0 H VAL A 77 9.661 5.158 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 77 7.948 2.943 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 77 7.857 5.953 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.860 5.584 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.570 5.156 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.836 3.875 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.115 5.340 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.184 3.621 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.465 4.736 -2.049 1.00 0.00 H new ATOM 1192 N ARG A 78 5.978 3.269 -5.388 1.00 0.00 N ATOM 1193 CA ARG A 78 4.962 3.307 -6.433 1.00 0.00 C ATOM 1194 C ARG A 78 3.719 4.052 -5.956 1.00 0.00 C ATOM 1195 O ARG A 78 3.317 3.932 -4.798 1.00 0.00 O ATOM 1196 CB ARG A 78 4.586 1.887 -6.860 1.00 0.00 C ATOM 1197 CG ARG A 78 3.398 1.831 -7.806 1.00 0.00 C ATOM 1198 CD ARG A 78 3.837 1.935 -9.259 1.00 0.00 C ATOM 1199 NE ARG A 78 2.713 1.797 -10.181 1.00 0.00 N ATOM 1200 CZ ARG A 78 1.868 2.782 -10.464 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.019 3.972 -9.899 1.00 0.00 N ATOM 1202 NH2 ARG A 78 0.870 2.578 -11.314 1.00 0.00 N ATOM 0 H ARG A 78 5.827 2.551 -4.680 1.00 0.00 H new ATOM 0 HA ARG A 78 5.377 3.839 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.446 1.422 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.361 1.297 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.855 0.898 -7.655 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.708 2.643 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.324 2.896 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.576 1.163 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 78 2.569 0.894 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.785 4.133 -9.245 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.369 4.727 -10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.751 1.664 -11.751 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.222 3.335 -11.531 1.00 0.00 H new ATOM 1216 N PHE A 79 3.116 4.823 -6.855 1.00 0.00 N ATOM 1217 CA PHE A 79 1.920 5.589 -6.525 1.00 0.00 C ATOM 1218 C PHE A 79 0.832 5.376 -7.574 1.00 0.00 C ATOM 1219 O PHE A 79 0.828 6.021 -8.622 1.00 0.00 O ATOM 1220 CB PHE A 79 2.255 7.077 -6.417 1.00 0.00 C ATOM 1221 CG PHE A 79 3.142 7.409 -5.251 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.481 7.055 -5.260 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.636 8.075 -4.147 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.299 7.358 -4.187 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.449 8.382 -3.071 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.782 8.023 -3.093 1.00 0.00 C ATOM 0 H PHE A 79 3.436 4.934 -7.817 1.00 0.00 H new ATOM 0 HA PHE A 79 1.547 5.237 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.742 7.399 -7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.328 7.645 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.891 6.537 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.594 8.358 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.341 7.075 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.042 8.901 -2.216 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.420 8.262 -2.255 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.091 4.465 -7.283 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.186 4.166 -8.199 1.00 0.00 C ATOM 1238 C LYS A 80 -2.441 4.946 -7.821 1.00 0.00 C ATOM 1239 O LYS A 80 -2.819 5.003 -6.651 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.486 2.665 -8.195 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.025 2.148 -9.517 1.00 0.00 C ATOM 1242 CD LYS A 80 -3.514 2.420 -9.656 1.00 0.00 C ATOM 1243 CE LYS A 80 -4.063 1.861 -10.960 1.00 0.00 C ATOM 1244 NZ LYS A 80 -3.750 2.744 -12.118 1.00 0.00 N ATOM 0 H LYS A 80 -0.103 3.921 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.880 4.467 -9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.574 2.122 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.209 2.450 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.489 2.621 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.841 1.076 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.046 1.975 -8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.694 3.494 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.644 0.870 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.143 1.740 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.141 2.328 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.171 3.682 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.719 2.839 -12.213 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.082 5.546 -8.818 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.294 6.323 -8.590 1.00 0.00 C ATOM 1260 C ARG A 81 -5.536 5.449 -8.739 1.00 0.00 C ATOM 1261 O ARG A 81 -5.730 4.799 -9.766 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.364 7.498 -9.567 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.306 8.605 -9.121 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.520 9.631 -10.223 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.113 9.035 -11.418 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.134 9.633 -12.604 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.597 10.836 -12.753 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.692 9.027 -13.644 1.00 0.00 N ATOM 0 H ARG A 81 -2.782 5.509 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.262 6.708 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.364 7.913 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.684 7.131 -10.542 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.265 8.174 -8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.899 9.097 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.167 10.428 -9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.566 10.089 -10.482 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.534 8.109 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.166 11.305 -11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.614 11.293 -13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.105 8.101 -13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.708 9.487 -14.554 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.373 5.439 -7.707 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.596 4.645 -7.724 1.00 0.00 C ATOM 1284 C ILE A 82 -8.815 5.520 -7.995 1.00 0.00 C ATOM 1285 O ILE A 82 -9.554 5.293 -8.953 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.801 3.898 -6.393 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.627 2.954 -6.127 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -9.113 3.128 -6.414 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.368 1.980 -7.255 1.00 0.00 C ATOM 0 H ILE A 82 -6.227 5.971 -6.849 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.488 3.916 -8.527 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.845 4.629 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.728 3.545 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.821 2.395 -5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.243 2.605 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.940 3.822 -6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -9.097 2.404 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.522 1.342 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.253 1.363 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.142 2.532 -8.168 1.00 0.00 H new ATOM 1301 N SER A 83 -9.019 6.523 -7.146 1.00 0.00 N ATOM 1302 CA SER A 83 -10.149 7.431 -7.293 1.00 0.00 C ATOM 1303 C SER A 83 -9.709 8.881 -7.112 1.00 0.00 C ATOM 1304 O SER A 83 -8.541 9.157 -6.841 1.00 0.00 O ATOM 1305 CB SER A 83 -11.242 7.088 -6.279 1.00 0.00 C ATOM 1306 OG SER A 83 -11.862 5.854 -6.595 1.00 0.00 O ATOM 0 H SER A 83 -8.416 6.727 -6.349 1.00 0.00 H new ATOM 0 HA SER A 83 -10.548 7.314 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.811 7.037 -5.279 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.990 7.881 -6.264 1.00 0.00 H new ATOM 0 HG SER A 83 -12.555 5.657 -5.931 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.653 9.804 -7.265 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.344 11.214 -7.116 1.00 0.00 C ATOM 1314 C GLY A 84 -9.701 11.801 -8.356 1.00 0.00 C ATOM 1315 O GLY A 84 -9.062 11.088 -9.131 1.00 0.00 O ATOM 0 H GLY A 84 -11.627 9.600 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.259 11.762 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.675 11.348 -6.266 1.00 0.00 H new ATOM 1319 N THR A 85 -9.870 13.106 -8.548 1.00 0.00 N ATOM 1320 CA THR A 85 -9.304 13.788 -9.704 1.00 0.00 C ATOM 1321 C THR A 85 -7.781 13.795 -9.647 1.00 0.00 C ATOM 1322 O THR A 85 -7.184 13.338 -8.672 1.00 0.00 O ATOM 1323 CB THR A 85 -9.809 15.240 -9.803 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.397 15.819 -11.046 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.280 16.077 -8.648 1.00 0.00 C ATOM 0 H THR A 85 -10.395 13.711 -7.917 1.00 0.00 H new ATOM 0 HA THR A 85 -9.630 13.237 -10.586 1.00 0.00 H new ATOM 0 HB THR A 85 -10.898 15.226 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.724 16.741 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.650 17.098 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.620 15.651 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.190 16.082 -8.672 1.00 0.00 H new ATOM 1333 N SER A 86 -7.156 14.317 -10.698 1.00 0.00 N ATOM 1334 CA SER A 86 -5.701 14.381 -10.768 1.00 0.00 C ATOM 1335 C SER A 86 -5.158 15.455 -9.831 1.00 0.00 C ATOM 1336 O SER A 86 -4.042 15.344 -9.323 1.00 0.00 O ATOM 1337 CB SER A 86 -5.250 14.665 -12.203 1.00 0.00 C ATOM 1338 OG SER A 86 -5.697 13.652 -13.088 1.00 0.00 O ATOM 0 H SER A 86 -7.635 14.702 -11.512 1.00 0.00 H new ATOM 0 HA SER A 86 -5.305 13.415 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.638 15.631 -12.525 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.163 14.730 -12.240 1.00 0.00 H new ATOM 0 HG SER A 86 -5.398 13.857 -13.998 1.00 0.00 H new ATOM 1344 N ILE A 87 -5.956 16.494 -9.606 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.556 17.587 -8.729 1.00 0.00 C ATOM 1346 C ILE A 87 -5.442 17.118 -7.283 1.00 0.00 C ATOM 1347 O ILE A 87 -4.344 17.028 -6.734 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.554 18.758 -8.800 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.384 19.524 -10.113 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.365 19.688 -7.610 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.512 20.489 -10.402 1.00 0.00 C ATOM 0 H ILE A 87 -6.883 16.601 -10.019 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.581 17.929 -9.075 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.566 18.355 -8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.444 20.075 -10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.309 18.810 -10.933 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.077 20.511 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.532 19.135 -6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.350 20.086 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.324 20.996 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.452 19.941 -10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.574 21.226 -9.602 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.583 16.819 -6.672 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.610 16.355 -5.290 1.00 0.00 C ATOM 1365 C ALA A 88 -5.670 15.171 -5.090 1.00 0.00 C ATOM 1366 O ALA A 88 -5.240 14.889 -3.971 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.029 15.979 -4.888 1.00 0.00 C ATOM 0 H ALA A 88 -7.501 16.890 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.267 17.169 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.035 15.634 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.677 16.850 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.392 15.183 -5.538 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.355 14.481 -6.180 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.466 13.326 -6.124 1.00 0.00 C ATOM 1375 C PHE A 89 -3.014 13.764 -5.957 1.00 0.00 C ATOM 1376 O PHE A 89 -2.281 13.222 -5.130 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.613 12.480 -7.390 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.575 11.401 -7.515 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.484 10.397 -6.565 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.691 11.392 -8.581 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.530 9.402 -6.676 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.735 10.401 -8.698 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.654 9.405 -7.744 1.00 0.00 C ATOM 0 H PHE A 89 -5.702 14.701 -7.114 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.747 12.725 -5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.603 12.024 -7.399 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.554 13.132 -8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.166 10.391 -5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.749 12.168 -9.329 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.470 8.624 -5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.052 10.405 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.907 8.630 -7.833 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.605 14.749 -6.748 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.242 15.263 -6.690 1.00 0.00 C ATOM 1395 C LYS A 90 -1.009 16.042 -5.399 1.00 0.00 C ATOM 1396 O LYS A 90 0.123 16.167 -4.934 1.00 0.00 O ATOM 1397 CB LYS A 90 -0.961 16.160 -7.898 1.00 0.00 C ATOM 1398 CG LYS A 90 0.515 16.452 -8.107 1.00 0.00 C ATOM 1399 CD LYS A 90 0.727 17.802 -8.772 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.016 17.895 -10.096 1.00 0.00 C ATOM 1401 NZ LYS A 90 0.082 19.255 -10.694 1.00 0.00 N ATOM 0 H LYS A 90 -3.199 15.208 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.559 14.414 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.359 15.684 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.495 17.102 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.030 16.433 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.958 15.669 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.386 18.594 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.792 17.963 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.391 17.162 -10.793 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.065 17.641 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.437 19.276 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.329 19.952 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.081 19.488 -10.865 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.089 16.564 -4.825 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.001 17.330 -3.588 1.00 0.00 C ATOM 1417 C ASN A 91 -1.671 16.421 -2.407 1.00 0.00 C ATOM 1418 O ASN A 91 -0.584 16.501 -1.834 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.316 18.068 -3.326 1.00 0.00 C ATOM 1420 CG ASN A 91 -3.335 19.452 -3.945 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -2.375 19.867 -4.594 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.433 20.173 -3.747 1.00 0.00 N ATOM 0 H ASN A 91 -3.034 16.470 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.198 18.059 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.144 17.483 -3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.475 18.152 -2.251 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.505 21.112 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.205 19.788 -3.202 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.616 15.558 -2.050 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.426 14.634 -0.940 1.00 0.00 C ATOM 1431 C ILE A 92 -1.122 13.858 -1.089 1.00 0.00 C ATOM 1432 O ILE A 92 -0.497 13.478 -0.099 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.594 13.636 -0.831 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -3.356 12.663 0.326 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.769 12.880 -2.139 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.965 13.345 1.618 1.00 0.00 C ATOM 0 H ILE A 92 -3.521 15.480 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.387 15.236 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.510 14.192 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.262 12.080 0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.572 11.960 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.598 12.179 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.980 13.586 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.855 12.332 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.812 12.595 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.042 13.906 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.758 14.027 1.924 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.715 13.627 -2.333 1.00 0.00 N ATOM 1449 CA ALA A 93 0.517 12.899 -2.612 1.00 0.00 C ATOM 1450 C ALA A 93 1.736 13.685 -2.143 1.00 0.00 C ATOM 1451 O ALA A 93 2.677 13.118 -1.588 1.00 0.00 O ATOM 1452 CB ALA A 93 0.623 12.593 -4.098 1.00 0.00 C ATOM 0 H ALA A 93 -1.221 13.934 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 93 0.489 11.959 -2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.547 12.049 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.227 11.985 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.625 13.526 -4.662 1.00 0.00 H new ATOM 1458 N SER A 94 1.714 14.995 -2.370 1.00 0.00 N ATOM 1459 CA SER A 94 2.821 15.858 -1.975 1.00 0.00 C ATOM 1460 C SER A 94 3.051 15.791 -0.468 1.00 0.00 C ATOM 1461 O SER A 94 4.115 16.164 0.027 1.00 0.00 O ATOM 1462 CB SER A 94 2.544 17.303 -2.396 1.00 0.00 C ATOM 1463 OG SER A 94 3.040 17.559 -3.699 1.00 0.00 O ATOM 0 H SER A 94 0.942 15.481 -2.825 1.00 0.00 H new ATOM 0 HA SER A 94 3.721 15.506 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.471 17.494 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.008 17.987 -1.686 1.00 0.00 H new ATOM 0 HG SER A 94 2.849 18.488 -3.945 1.00 0.00 H new ATOM 1469 N LYS A 95 2.046 15.312 0.256 1.00 0.00 N ATOM 1470 CA LYS A 95 2.136 15.193 1.707 1.00 0.00 C ATOM 1471 C LYS A 95 2.909 13.939 2.103 1.00 0.00 C ATOM 1472 O LYS A 95 3.536 13.894 3.161 1.00 0.00 O ATOM 1473 CB LYS A 95 0.736 15.159 2.325 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.099 16.387 2.006 1.00 0.00 C ATOM 1475 CD LYS A 95 0.300 17.572 2.870 1.00 0.00 C ATOM 1476 CE LYS A 95 0.017 18.893 2.169 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.971 19.144 1.053 1.00 0.00 N ATOM 0 H LYS A 95 1.159 14.999 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 95 2.672 16.064 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.212 14.271 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.828 15.063 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.020 16.646 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.154 16.161 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.245 17.536 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.361 17.507 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.002 18.888 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.079 19.708 2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.929 20.147 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.936 18.909 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.715 18.552 0.237 1.00 0.00 H new ATOM 1491 N ILE A 96 2.860 12.924 1.246 1.00 0.00 N ATOM 1492 CA ILE A 96 3.557 11.671 1.507 1.00 0.00 C ATOM 1493 C ILE A 96 5.020 11.758 1.083 1.00 0.00 C ATOM 1494 O ILE A 96 5.922 11.717 1.918 1.00 0.00 O ATOM 1495 CB ILE A 96 2.891 10.493 0.772 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.388 10.471 1.058 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.534 9.178 1.188 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.053 10.267 2.519 1.00 0.00 C ATOM 0 H ILE A 96 2.345 12.945 0.366 1.00 0.00 H new ATOM 0 HA ILE A 96 3.502 11.496 2.581 1.00 0.00 H new ATOM 0 HB ILE A 96 3.037 10.623 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.949 11.410 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.927 9.675 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.053 8.355 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.595 9.197 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.415 9.039 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.029 10.262 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.462 9.315 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.484 11.077 3.108 1.00 0.00 H new ATOM 1510 N ALA A 97 5.246 11.880 -0.221 1.00 0.00 N ATOM 1511 CA ALA A 97 6.598 11.976 -0.756 1.00 0.00 C ATOM 1512 C ALA A 97 7.473 12.866 0.121 1.00 0.00 C ATOM 1513 O ALA A 97 8.559 12.466 0.538 1.00 0.00 O ATOM 1514 CB ALA A 97 6.565 12.507 -2.182 1.00 0.00 C ATOM 0 H ALA A 97 4.510 11.915 -0.926 1.00 0.00 H new ATOM 0 HA ALA A 97 7.032 10.976 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.582 12.574 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.982 11.832 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.108 13.496 -2.191 1.00 0.00 H new ATOM 1520 N ASN A 98 6.993 14.074 0.396 1.00 0.00 N ATOM 1521 CA ASN A 98 7.733 15.020 1.223 1.00 0.00 C ATOM 1522 C ASN A 98 8.032 14.426 2.596 1.00 0.00 C ATOM 1523 O ASN A 98 9.186 14.360 3.016 1.00 0.00 O ATOM 1524 CB ASN A 98 6.941 16.320 1.379 1.00 0.00 C ATOM 1525 CG ASN A 98 7.805 17.469 1.862 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.608 17.313 2.782 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.644 18.632 1.241 1.00 0.00 N ATOM 0 H ASN A 98 6.095 14.421 0.058 1.00 0.00 H new ATOM 0 HA ASN A 98 8.679 15.235 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.491 16.585 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.124 16.162 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.198 19.441 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.967 18.716 0.483 1.00 0.00 H new ATOM 1534 N GLU A 99 6.983 13.994 3.289 1.00 0.00 N ATOM 1535 CA GLU A 99 7.134 13.405 4.614 1.00 0.00 C ATOM 1536 C GLU A 99 8.198 12.312 4.606 1.00 0.00 C ATOM 1537 O GLU A 99 9.133 12.333 5.408 1.00 0.00 O ATOM 1538 CB GLU A 99 5.800 12.830 5.096 1.00 0.00 C ATOM 1539 CG GLU A 99 4.929 13.840 5.823 1.00 0.00 C ATOM 1540 CD GLU A 99 3.690 13.212 6.431 1.00 0.00 C ATOM 1541 OE1 GLU A 99 3.765 12.751 7.590 1.00 0.00 O ATOM 1542 OE2 GLU A 99 2.645 13.181 5.748 1.00 0.00 O ATOM 0 H GLU A 99 6.020 14.041 2.955 1.00 0.00 H new ATOM 0 HA GLU A 99 7.451 14.191 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.251 12.440 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.996 11.987 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.513 14.318 6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.630 14.624 5.127 1.00 0.00 H new ATOM 1549 N LEU A 100 8.049 11.357 3.694 1.00 0.00 N ATOM 1550 CA LEU A 100 8.997 10.253 3.580 1.00 0.00 C ATOM 1551 C LEU A 100 10.426 10.738 3.801 1.00 0.00 C ATOM 1552 O LEU A 100 10.907 11.629 3.100 1.00 0.00 O ATOM 1553 CB LEU A 100 8.877 9.592 2.206 1.00 0.00 C ATOM 1554 CG LEU A 100 7.530 8.942 1.889 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.483 8.493 0.437 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.273 7.767 2.822 1.00 0.00 C ATOM 0 H LEU A 100 7.281 11.325 3.023 1.00 0.00 H new ATOM 0 HA LEU A 100 8.758 9.520 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.083 10.344 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.653 8.832 2.122 1.00 0.00 H new ATOM 0 HG LEU A 100 6.745 9.682 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.517 8.033 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.622 9.355 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.277 7.769 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.310 7.316 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.062 7.025 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.263 8.117 3.854 1.00 0.00 H new ATOM 1568 N LYS A 101 11.102 10.144 4.779 1.00 0.00 N ATOM 1569 CA LYS A 101 12.478 10.512 5.091 1.00 0.00 C ATOM 1570 C LYS A 101 13.459 9.507 4.495 1.00 0.00 C ATOM 1571 O LYS A 101 14.091 8.736 5.219 1.00 0.00 O ATOM 1572 CB LYS A 101 12.675 10.595 6.606 1.00 0.00 C ATOM 1573 CG LYS A 101 12.323 11.952 7.192 1.00 0.00 C ATOM 1574 CD LYS A 101 12.919 12.132 8.578 1.00 0.00 C ATOM 1575 CE LYS A 101 12.419 13.408 9.238 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.182 13.728 10.476 1.00 0.00 N ATOM 0 H LYS A 101 10.719 9.406 5.369 1.00 0.00 H new ATOM 0 HA LYS A 101 12.674 11.490 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.063 9.832 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.714 10.365 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.688 12.740 6.533 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.239 12.057 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.662 11.275 9.200 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.006 12.160 8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.503 14.237 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.362 13.301 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.811 14.604 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.082 12.948 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.187 13.855 10.241 1.00 0.00 H new ATOM 1590 N LEU A 102 13.582 9.521 3.172 1.00 0.00 N ATOM 1591 CA LEU A 102 14.487 8.611 2.479 1.00 0.00 C ATOM 1592 C LEU A 102 15.608 9.380 1.788 1.00 0.00 C ATOM 1593 O LEU A 102 15.387 10.044 0.775 1.00 0.00 O ATOM 1594 CB LEU A 102 13.717 7.777 1.453 1.00 0.00 C ATOM 1595 CG LEU A 102 12.421 7.135 1.947 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.555 6.708 0.772 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.724 5.947 2.849 1.00 0.00 C ATOM 0 H LEU A 102 13.067 10.152 2.558 1.00 0.00 H new ATOM 0 HA LEU A 102 14.931 7.945 3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.481 8.414 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.374 6.987 1.089 1.00 0.00 H new ATOM 0 HG LEU A 102 11.870 7.875 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.637 6.253 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.309 7.580 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.098 5.985 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.790 5.502 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.297 5.205 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.303 6.282 3.710 1.00 0.00 H new