USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 636 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 84 MET CE :methyl -109:sc= -8.9! (180deg=-12.3!) USER MOD Set 1.2: A 88 ASN :FLIP amide:sc= -10.2! C(o=-22!,f=-19!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -106:sc= -6.22! (180deg=-11.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.8!) USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= -0.396 (180deg=-0.485) USER MOD Single : A 53 THR OG1 : rot 107:sc= 1.22 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 106:sc= -0.268 USER MOD Single : A 73 ASN : amide:sc= 0.422 K(o=0.42,f=-1) USER MOD Single : A 74 GLN : amide:sc= -7.47! C(o=-7.5!,f=-12!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -166:sc= 0.98 USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.408) USER MOD Single : A 85 MET CE :methyl -122:sc= -3.76! (180deg=-7.04!) USER MOD Single : A 86 GLN : amide:sc= -4.33! C(o=-4.3!,f=-9.5!) USER MOD Single : A 90 THR OG1 : rot 107:sc= 0.741 USER MOD Single : A 94 ASN : amide:sc=-0.00547 X(o=-0.0055,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0855 X(o=-0.085,f=0) USER MOD Single : A 102 MET CE :methyl 137:sc= -5.65! (180deg=-7.47!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN :FLIP amide:sc= -0.0574 F(o=-0.68,f=-0.057) USER MOD Single : A 115 ASN :FLIP amide:sc= -2.75 F(o=-3.7!,f=-2.8) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.912 1.514 4.905 1.00 0.00 N ATOM 136 CA CYS A 33 -11.030 2.666 4.974 1.00 0.00 C ATOM 137 C CYS A 33 -10.415 2.885 3.590 1.00 0.00 C ATOM 138 O CYS A 33 -9.833 3.936 3.324 1.00 0.00 O ATOM 139 CB CYS A 33 -9.959 2.494 6.053 1.00 0.00 C ATOM 140 SG CYS A 33 -10.745 2.379 7.702 1.00 0.00 S ATOM 0 HA CYS A 33 -11.603 3.548 5.260 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.374 1.596 5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.268 3.336 6.028 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.827 2.231 8.611 1.00 0.00 H new ATOM 145 N LEU A 34 -10.566 1.876 2.745 1.00 0.00 N ATOM 146 CA LEU A 34 -10.033 1.946 1.395 1.00 0.00 C ATOM 147 C LEU A 34 -10.877 2.916 0.566 1.00 0.00 C ATOM 148 O LEU A 34 -10.550 3.203 -0.584 1.00 0.00 O ATOM 149 CB LEU A 34 -9.932 0.545 0.787 1.00 0.00 C ATOM 150 CG LEU A 34 -9.398 -0.551 1.712 1.00 0.00 C ATOM 151 CD1 LEU A 34 -9.007 -1.797 0.915 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.241 -0.031 2.568 1.00 0.00 C ATOM 0 H LEU A 34 -11.049 1.006 2.969 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.016 2.339 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.922 0.249 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.288 0.597 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.197 -0.842 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.631 -2.561 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.880 -2.180 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.231 -1.539 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.880 -0.830 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.431 0.304 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.586 0.803 3.178 1.00 0.00 H new ATOM 163 N GLU A 35 -11.947 3.394 1.185 1.00 0.00 N ATOM 164 CA GLU A 35 -12.841 4.327 0.520 1.00 0.00 C ATOM 165 C GLU A 35 -12.549 5.758 0.974 1.00 0.00 C ATOM 166 O GLU A 35 -13.429 6.617 0.934 1.00 0.00 O ATOM 167 CB GLU A 35 -14.305 3.959 0.772 1.00 0.00 C ATOM 168 CG GLU A 35 -14.514 2.446 0.672 1.00 0.00 C ATOM 169 CD GLU A 35 -15.822 2.120 -0.052 1.00 0.00 C ATOM 170 OE1 GLU A 35 -15.815 2.198 -1.299 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.799 1.801 0.659 1.00 0.00 O ATOM 0 H GLU A 35 -12.215 3.153 2.139 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.665 4.265 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.607 4.307 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.941 4.467 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.677 1.994 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.529 2.010 1.671 1.00 0.00 H new ATOM 176 N LYS A 36 -11.312 5.971 1.395 1.00 0.00 N ATOM 177 CA LYS A 36 -10.893 7.284 1.858 1.00 0.00 C ATOM 178 C LYS A 36 -10.216 8.032 0.709 1.00 0.00 C ATOM 179 O LYS A 36 -9.883 9.209 0.839 1.00 0.00 O ATOM 180 CB LYS A 36 -10.022 7.158 3.109 1.00 0.00 C ATOM 181 CG LYS A 36 -10.873 6.840 4.340 1.00 0.00 C ATOM 182 CD LYS A 36 -10.940 8.042 5.286 1.00 0.00 C ATOM 183 CE LYS A 36 -10.472 7.661 6.691 1.00 0.00 C ATOM 184 NZ LYS A 36 -11.566 7.845 7.671 1.00 0.00 N ATOM 0 H LYS A 36 -10.585 5.256 1.426 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.757 7.876 2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.280 6.373 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.475 8.087 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.880 6.561 4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.453 5.982 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.319 8.849 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.962 8.419 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.138 6.623 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.616 8.274 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.230 7.582 8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.866 8.841 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.372 7.242 7.409 1.00 0.00 H new ATOM 194 N LYS A 37 -10.029 7.318 -0.392 1.00 0.00 N ATOM 195 CA LYS A 37 -9.397 7.899 -1.563 1.00 0.00 C ATOM 196 C LYS A 37 -8.054 8.512 -1.162 1.00 0.00 C ATOM 197 O LYS A 37 -7.719 8.563 0.022 1.00 0.00 O ATOM 198 CB LYS A 37 -10.343 8.888 -2.248 1.00 0.00 C ATOM 199 CG LYS A 37 -11.511 8.159 -2.914 1.00 0.00 C ATOM 200 CD LYS A 37 -12.827 8.459 -2.195 1.00 0.00 C ATOM 201 CE LYS A 37 -13.912 8.879 -3.189 1.00 0.00 C ATOM 202 NZ LYS A 37 -14.905 9.756 -2.531 1.00 0.00 N ATOM 0 H LYS A 37 -10.305 6.342 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.188 7.127 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.724 9.599 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.795 9.463 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.586 8.463 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.325 7.085 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.154 7.577 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.673 9.252 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.459 9.401 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.408 7.995 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.634 10.032 -3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.350 9.246 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.430 10.608 -2.169 1.00 0.00 H new ATOM 212 N VAL A 38 -7.318 8.960 -2.168 1.00 0.00 N ATOM 213 CA VAL A 38 -6.019 9.567 -1.934 1.00 0.00 C ATOM 214 C VAL A 38 -5.708 10.549 -3.066 1.00 0.00 C ATOM 215 O VAL A 38 -6.611 10.990 -3.775 1.00 0.00 O ATOM 216 CB VAL A 38 -4.954 8.479 -1.778 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.385 7.435 -0.746 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.640 7.823 -3.124 1.00 0.00 C ATOM 0 H VAL A 38 -7.597 8.915 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.025 10.134 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.041 8.952 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.611 6.673 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.535 7.918 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.316 6.969 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.880 7.054 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.545 7.370 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.270 8.577 -3.819 1.00 0.00 H new ATOM 228 N ASP A 39 -4.428 10.864 -3.197 1.00 0.00 N ATOM 229 CA ASP A 39 -3.988 11.787 -4.231 1.00 0.00 C ATOM 230 C ASP A 39 -2.458 11.837 -4.244 1.00 0.00 C ATOM 231 O ASP A 39 -1.852 12.578 -3.471 1.00 0.00 O ATOM 232 CB ASP A 39 -4.506 13.201 -3.963 1.00 0.00 C ATOM 233 CG ASP A 39 -4.790 14.032 -5.216 1.00 0.00 C ATOM 234 OD1 ASP A 39 -4.637 13.467 -6.320 1.00 0.00 O ATOM 235 OD2 ASP A 39 -5.156 15.215 -5.040 1.00 0.00 O ATOM 0 H ASP A 39 -3.682 10.498 -2.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.378 11.436 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.422 13.131 -3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.775 13.730 -3.352 1.00 0.00 H new ATOM 239 N MET A 40 -1.879 11.041 -5.130 1.00 0.00 N ATOM 240 CA MET A 40 -0.433 10.985 -5.253 1.00 0.00 C ATOM 241 C MET A 40 0.132 12.337 -5.698 1.00 0.00 C ATOM 242 O MET A 40 1.297 12.640 -5.446 1.00 0.00 O ATOM 243 CB MET A 40 -0.048 9.911 -6.273 1.00 0.00 C ATOM 244 CG MET A 40 -0.635 8.553 -5.886 1.00 0.00 C ATOM 245 SD MET A 40 0.348 7.807 -4.596 1.00 0.00 S ATOM 246 CE MET A 40 -0.334 8.634 -3.169 1.00 0.00 C ATOM 0 H MET A 40 -2.385 10.429 -5.770 1.00 0.00 H new ATOM 0 HA MET A 40 -0.013 10.739 -4.277 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.407 10.198 -7.262 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.038 9.837 -6.337 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.663 8.676 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.664 7.898 -6.757 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.375 9.378 -2.806 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.267 9.126 -3.445 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.528 7.904 -2.383 1.00 0.00 H new ATOM 254 N SER A 41 -0.722 13.111 -6.352 1.00 0.00 N ATOM 255 CA SER A 41 -0.323 14.424 -6.834 1.00 0.00 C ATOM 256 C SER A 41 -0.171 15.389 -5.658 1.00 0.00 C ATOM 257 O SER A 41 0.286 16.518 -5.831 1.00 0.00 O ATOM 258 CB SER A 41 -1.334 14.970 -7.843 1.00 0.00 C ATOM 259 OG SER A 41 -0.732 15.252 -9.103 1.00 0.00 O ATOM 0 H SER A 41 -1.687 12.855 -6.559 1.00 0.00 H new ATOM 0 HA SER A 41 0.637 14.326 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.137 14.246 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.787 15.878 -7.446 1.00 0.00 H new ATOM 0 HG SER A 41 -1.411 15.597 -9.720 1.00 0.00 H new ATOM 264 N LYS A 42 -0.564 14.911 -4.485 1.00 0.00 N ATOM 265 CA LYS A 42 -0.478 15.718 -3.281 1.00 0.00 C ATOM 266 C LYS A 42 0.478 15.049 -2.291 1.00 0.00 C ATOM 267 O LYS A 42 1.247 15.727 -1.610 1.00 0.00 O ATOM 268 CB LYS A 42 -1.873 15.977 -2.709 1.00 0.00 C ATOM 269 CG LYS A 42 -2.902 16.145 -3.828 1.00 0.00 C ATOM 270 CD LYS A 42 -2.687 17.461 -4.579 1.00 0.00 C ATOM 271 CE LYS A 42 -3.899 18.382 -4.430 1.00 0.00 C ATOM 272 NZ LYS A 42 -3.496 19.677 -3.838 1.00 0.00 N ATOM 0 H LYS A 42 -0.943 13.974 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.065 16.700 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.165 15.149 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.855 16.873 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.828 15.309 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.908 16.122 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.797 17.961 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.509 17.256 -5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.359 18.548 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.650 17.905 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.331 20.290 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.078 19.515 -2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.796 20.137 -4.454 1.00 0.00 H new ATOM 282 N VAL A 43 0.399 13.727 -2.243 1.00 0.00 N ATOM 283 CA VAL A 43 1.248 12.959 -1.348 1.00 0.00 C ATOM 284 C VAL A 43 2.289 12.196 -2.170 1.00 0.00 C ATOM 285 O VAL A 43 2.050 11.868 -3.330 1.00 0.00 O ATOM 286 CB VAL A 43 0.392 12.044 -0.471 1.00 0.00 C ATOM 287 CG1 VAL A 43 -0.969 11.780 -1.120 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.119 10.733 -0.171 1.00 0.00 C ATOM 0 H VAL A 43 -0.240 13.168 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 43 1.789 13.622 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 43 0.219 12.555 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.558 11.127 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.495 12.724 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.824 11.301 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.488 10.102 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.337 10.216 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.051 10.945 0.352 1.00 0.00 H new ATOM 298 N ASN A 44 3.423 11.938 -1.535 1.00 0.00 N ATOM 299 CA ASN A 44 4.502 11.219 -2.192 1.00 0.00 C ATOM 300 C ASN A 44 4.314 9.716 -1.976 1.00 0.00 C ATOM 301 O ASN A 44 4.113 9.267 -0.848 1.00 0.00 O ATOM 302 CB ASN A 44 5.861 11.614 -1.610 1.00 0.00 C ATOM 303 CG ASN A 44 6.552 12.657 -2.491 1.00 0.00 C ATOM 304 OD1 ASN A 44 6.065 13.042 -3.541 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.710 13.094 -2.004 1.00 0.00 N ATOM 0 H ASN A 44 3.618 12.214 -0.573 1.00 0.00 H new ATOM 0 HA ASN A 44 4.477 11.469 -3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.728 12.013 -0.604 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.494 10.731 -1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.247 13.794 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.061 12.730 -1.118 1.00 0.00 H new ATOM 311 N LEU A 45 4.386 8.980 -3.075 1.00 0.00 N ATOM 312 CA LEU A 45 4.227 7.537 -3.020 1.00 0.00 C ATOM 313 C LEU A 45 5.602 6.880 -2.880 1.00 0.00 C ATOM 314 O LEU A 45 5.717 5.783 -2.337 1.00 0.00 O ATOM 315 CB LEU A 45 3.429 7.039 -4.228 1.00 0.00 C ATOM 316 CG LEU A 45 4.238 6.342 -5.324 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.316 7.271 -5.885 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.823 5.022 -4.818 1.00 0.00 C ATOM 0 H LEU A 45 4.552 9.356 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 45 3.646 7.252 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.664 6.348 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.910 7.889 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 45 3.564 6.100 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.876 6.751 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.847 8.159 -6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.994 7.566 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.393 4.547 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.479 5.216 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.014 4.361 -4.507 1.00 0.00 H new ATOM 329 N GLU A 46 6.611 7.581 -3.378 1.00 0.00 N ATOM 330 CA GLU A 46 7.973 7.081 -3.314 1.00 0.00 C ATOM 331 C GLU A 46 8.372 6.810 -1.861 1.00 0.00 C ATOM 332 O GLU A 46 9.070 5.838 -1.576 1.00 0.00 O ATOM 333 CB GLU A 46 8.947 8.057 -3.977 1.00 0.00 C ATOM 334 CG GLU A 46 9.544 7.454 -5.250 1.00 0.00 C ATOM 335 CD GLU A 46 10.743 8.272 -5.734 1.00 0.00 C ATOM 336 OE1 GLU A 46 10.495 9.330 -6.354 1.00 0.00 O ATOM 337 OE2 GLU A 46 11.880 7.823 -5.474 1.00 0.00 O ATOM 0 H GLU A 46 6.512 8.491 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 46 8.020 6.141 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.430 8.986 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.746 8.309 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.853 6.426 -5.059 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.784 7.419 -6.031 1.00 0.00 H new ATOM 342 N VAL A 47 7.911 7.688 -0.982 1.00 0.00 N ATOM 343 CA VAL A 47 8.211 7.556 0.434 1.00 0.00 C ATOM 344 C VAL A 47 7.482 6.332 0.994 1.00 0.00 C ATOM 345 O VAL A 47 7.699 5.947 2.141 1.00 0.00 O ATOM 346 CB VAL A 47 7.856 8.851 1.167 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.793 9.988 0.757 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.393 9.232 0.928 1.00 0.00 C ATOM 0 H VAL A 47 7.332 8.493 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 47 9.278 7.395 0.585 1.00 0.00 H new ATOM 0 HB VAL A 47 7.987 8.678 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.519 10.897 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.821 9.719 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.709 10.160 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.166 10.156 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.224 9.377 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.745 8.435 1.293 1.00 0.00 H new ATOM 358 N ILE A 48 6.633 5.756 0.156 1.00 0.00 N ATOM 359 CA ILE A 48 5.870 4.584 0.553 1.00 0.00 C ATOM 360 C ILE A 48 6.366 3.368 -0.233 1.00 0.00 C ATOM 361 O ILE A 48 5.947 2.242 0.030 1.00 0.00 O ATOM 362 CB ILE A 48 4.370 4.845 0.401 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.078 6.344 0.324 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.580 4.164 1.521 1.00 0.00 C ATOM 365 CD1 ILE A 48 4.272 7.012 1.688 1.00 0.00 C ATOM 0 H ILE A 48 6.456 6.078 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 48 6.027 4.367 1.610 1.00 0.00 H new ATOM 0 HB ILE A 48 4.041 4.405 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.737 6.809 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.056 6.502 -0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.517 4.365 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.753 3.088 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.907 4.553 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.058 8.078 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.595 6.561 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.302 6.873 2.018 1.00 0.00 H new ATOM 376 N LYS A 49 7.250 3.637 -1.181 1.00 0.00 N ATOM 377 CA LYS A 49 7.807 2.579 -2.006 1.00 0.00 C ATOM 378 C LYS A 49 8.503 1.552 -1.111 1.00 0.00 C ATOM 379 O LYS A 49 8.284 0.350 -1.254 1.00 0.00 O ATOM 380 CB LYS A 49 8.716 3.167 -3.089 1.00 0.00 C ATOM 381 CG LYS A 49 8.283 2.702 -4.480 1.00 0.00 C ATOM 382 CD LYS A 49 6.766 2.816 -4.649 1.00 0.00 C ATOM 383 CE LYS A 49 6.107 1.435 -4.622 1.00 0.00 C ATOM 384 NZ LYS A 49 4.807 1.497 -3.918 1.00 0.00 N ATOM 0 H LYS A 49 7.595 4.572 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 49 7.014 2.053 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.688 4.256 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.748 2.866 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.783 3.302 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.593 1.669 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.353 3.436 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.538 3.314 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.959 1.076 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.764 0.721 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.827 0.860 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.632 2.471 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.048 1.203 -4.565 1.00 0.00 H new ATOM 394 N PRO A 50 9.347 2.075 -0.183 1.00 0.00 N ATOM 395 CA PRO A 50 10.075 1.217 0.736 1.00 0.00 C ATOM 396 C PRO A 50 9.151 0.678 1.830 1.00 0.00 C ATOM 397 O PRO A 50 9.390 -0.400 2.374 1.00 0.00 O ATOM 398 CB PRO A 50 11.196 2.085 1.281 1.00 0.00 C ATOM 399 CG PRO A 50 10.782 3.522 1.007 1.00 0.00 C ATOM 400 CD PRO A 50 9.630 3.494 0.016 1.00 0.00 C ATOM 0 HA PRO A 50 10.478 0.328 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.337 1.916 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.143 1.852 0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.479 4.015 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.620 4.090 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.759 4.021 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.902 3.979 -0.922 1.00 0.00 H new ATOM 405 N TRP A 51 8.115 1.450 2.121 1.00 0.00 N ATOM 406 CA TRP A 51 7.155 1.064 3.140 1.00 0.00 C ATOM 407 C TRP A 51 6.285 -0.058 2.569 1.00 0.00 C ATOM 408 O TRP A 51 5.979 -1.026 3.263 1.00 0.00 O ATOM 409 CB TRP A 51 6.341 2.270 3.612 1.00 0.00 C ATOM 410 CG TRP A 51 5.420 1.974 4.798 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.609 2.286 6.088 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.151 1.289 4.751 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.558 1.855 6.871 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.643 1.230 6.032 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.454 0.739 3.661 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.418 0.628 6.344 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.231 0.141 3.989 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.707 0.072 5.274 1.00 0.00 C ATOM 0 H TRP A 51 7.919 2.343 1.668 1.00 0.00 H new ATOM 0 HA TRP A 51 7.665 0.692 4.029 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.026 3.072 3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.739 2.637 2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.475 2.809 6.467 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.469 1.973 7.880 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.832 0.775 2.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 2.042 0.594 7.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.655 -0.297 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.755 -0.409 5.447 1.00 0.00 H new ATOM 428 N ILE A 52 5.911 0.110 1.309 1.00 0.00 N ATOM 429 CA ILE A 52 5.083 -0.876 0.636 1.00 0.00 C ATOM 430 C ILE A 52 5.929 -2.108 0.306 1.00 0.00 C ATOM 431 O ILE A 52 5.551 -3.232 0.631 1.00 0.00 O ATOM 432 CB ILE A 52 4.395 -0.257 -0.582 1.00 0.00 C ATOM 433 CG1 ILE A 52 3.075 0.407 -0.189 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.207 -1.295 -1.690 1.00 0.00 C ATOM 435 CD1 ILE A 52 3.012 1.848 -0.699 1.00 0.00 C ATOM 0 H ILE A 52 6.166 0.915 0.736 1.00 0.00 H new ATOM 0 HA ILE A 52 4.279 -1.209 1.292 1.00 0.00 H new ATOM 0 HB ILE A 52 5.042 0.525 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.241 -0.164 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.967 0.396 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.716 -0.830 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.179 -1.681 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.592 -2.115 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.063 2.297 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.833 2.422 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.095 1.853 -1.786 1.00 0.00 H new ATOM 446 N THR A 53 7.060 -1.853 -0.336 1.00 0.00 N ATOM 447 CA THR A 53 7.964 -2.927 -0.714 1.00 0.00 C ATOM 448 C THR A 53 8.402 -3.714 0.521 1.00 0.00 C ATOM 449 O THR A 53 8.531 -4.937 0.470 1.00 0.00 O ATOM 450 CB THR A 53 9.131 -2.312 -1.488 1.00 0.00 C ATOM 451 OG1 THR A 53 8.521 -1.739 -2.641 1.00 0.00 O ATOM 452 CG2 THR A 53 10.080 -3.369 -2.055 1.00 0.00 C ATOM 0 H THR A 53 7.371 -0.919 -0.604 1.00 0.00 H new ATOM 0 HA THR A 53 7.470 -3.650 -1.363 1.00 0.00 H new ATOM 0 HB THR A 53 9.686 -1.640 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.511 -0.763 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.890 -2.879 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.494 -3.961 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.533 -4.021 -2.736 1.00 0.00 H new ATOM 460 N LYS A 54 8.619 -2.983 1.605 1.00 0.00 N ATOM 461 CA LYS A 54 9.040 -3.598 2.852 1.00 0.00 C ATOM 462 C LYS A 54 7.849 -4.320 3.487 1.00 0.00 C ATOM 463 O LYS A 54 8.006 -5.394 4.065 1.00 0.00 O ATOM 464 CB LYS A 54 9.691 -2.561 3.769 1.00 0.00 C ATOM 465 CG LYS A 54 10.209 -3.212 5.053 1.00 0.00 C ATOM 466 CD LYS A 54 10.334 -2.182 6.178 1.00 0.00 C ATOM 467 CE LYS A 54 11.334 -2.647 7.238 1.00 0.00 C ATOM 468 NZ LYS A 54 10.865 -2.277 8.592 1.00 0.00 N ATOM 0 H LYS A 54 8.511 -1.970 1.645 1.00 0.00 H new ATOM 0 HA LYS A 54 9.807 -4.350 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.514 -2.074 3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.967 -1.785 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.532 -4.010 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.180 -3.671 4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.654 -1.225 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.359 -2.021 6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.464 -3.727 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.309 -2.197 7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.556 -2.600 9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.764 -1.244 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.945 -2.727 8.776 1.00 0.00 H new ATOM 478 N ARG A 55 6.685 -3.700 3.358 1.00 0.00 N ATOM 479 CA ARG A 55 5.469 -4.269 3.913 1.00 0.00 C ATOM 480 C ARG A 55 5.092 -5.550 3.163 1.00 0.00 C ATOM 481 O ARG A 55 4.847 -6.585 3.780 1.00 0.00 O ATOM 482 CB ARG A 55 4.307 -3.277 3.827 1.00 0.00 C ATOM 483 CG ARG A 55 4.167 -2.485 5.128 1.00 0.00 C ATOM 484 CD ARG A 55 3.843 -3.411 6.302 1.00 0.00 C ATOM 485 NE ARG A 55 4.690 -3.067 7.467 1.00 0.00 N ATOM 486 CZ ARG A 55 4.387 -3.382 8.734 1.00 0.00 C ATOM 487 NH1 ARG A 55 3.258 -4.049 9.008 1.00 0.00 N ATOM 488 NH2 ARG A 55 5.215 -3.028 9.727 1.00 0.00 N ATOM 0 H ARG A 55 6.559 -2.809 2.877 1.00 0.00 H new ATOM 0 HA ARG A 55 5.659 -4.499 4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.470 -2.592 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.380 -3.813 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.092 -1.945 5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.380 -1.739 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.790 -3.320 6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.010 -4.449 6.014 1.00 0.00 H new ATOM 0 HE ARG A 55 5.558 -2.559 7.295 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.628 -4.318 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.028 -4.288 9.973 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.074 -2.520 9.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.986 -3.267 10.692 1.00 0.00 H new ATOM 499 N VAL A 56 5.059 -5.437 1.844 1.00 0.00 N ATOM 500 CA VAL A 56 4.717 -6.572 1.004 1.00 0.00 C ATOM 501 C VAL A 56 5.763 -7.672 1.191 1.00 0.00 C ATOM 502 O VAL A 56 5.429 -8.857 1.194 1.00 0.00 O ATOM 503 CB VAL A 56 4.576 -6.122 -0.452 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.309 -5.289 -0.649 1.00 0.00 C ATOM 505 CG2 VAL A 56 5.816 -5.351 -0.910 1.00 0.00 C ATOM 0 H VAL A 56 5.264 -4.577 1.336 1.00 0.00 H new ATOM 0 HA VAL A 56 3.753 -6.987 1.297 1.00 0.00 H new ATOM 0 HB VAL A 56 4.489 -7.015 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.234 -4.982 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.436 -5.885 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.352 -4.405 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.690 -5.043 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.948 -4.469 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.694 -5.991 -0.826 1.00 0.00 H new ATOM 515 N THR A 57 7.007 -7.243 1.342 1.00 0.00 N ATOM 516 CA THR A 57 8.104 -8.178 1.529 1.00 0.00 C ATOM 517 C THR A 57 8.000 -8.855 2.897 1.00 0.00 C ATOM 518 O THR A 57 8.216 -10.060 3.016 1.00 0.00 O ATOM 519 CB THR A 57 9.414 -7.415 1.327 1.00 0.00 C ATOM 520 OG1 THR A 57 9.414 -7.087 -0.060 1.00 0.00 O ATOM 521 CG2 THR A 57 10.645 -8.309 1.498 1.00 0.00 C ATOM 0 H THR A 57 7.280 -6.260 1.339 1.00 0.00 H new ATOM 0 HA THR A 57 8.065 -8.986 0.798 1.00 0.00 H new ATOM 0 HB THR A 57 9.465 -6.588 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.224 -6.132 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.548 -7.718 1.344 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.653 -8.729 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.612 -9.118 0.768 1.00 0.00 H new ATOM 529 N GLU A 58 7.668 -8.051 3.896 1.00 0.00 N ATOM 530 CA GLU A 58 7.533 -8.557 5.252 1.00 0.00 C ATOM 531 C GLU A 58 6.256 -9.390 5.382 1.00 0.00 C ATOM 532 O GLU A 58 6.189 -10.304 6.202 1.00 0.00 O ATOM 533 CB GLU A 58 7.548 -7.413 6.268 1.00 0.00 C ATOM 534 CG GLU A 58 8.982 -7.002 6.610 1.00 0.00 C ATOM 535 CD GLU A 58 9.105 -6.622 8.087 1.00 0.00 C ATOM 536 OE1 GLU A 58 9.161 -7.559 8.912 1.00 0.00 O ATOM 537 OE2 GLU A 58 9.141 -5.402 8.358 1.00 0.00 O ATOM 0 H GLU A 58 7.488 -7.052 3.794 1.00 0.00 H new ATOM 0 HA GLU A 58 8.387 -9.200 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.007 -6.557 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.028 -7.721 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.663 -7.822 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.281 -6.159 5.988 1.00 0.00 H new ATOM 542 N ILE A 59 5.276 -9.044 4.561 1.00 0.00 N ATOM 543 CA ILE A 59 4.005 -9.748 4.575 1.00 0.00 C ATOM 544 C ILE A 59 4.251 -11.238 4.330 1.00 0.00 C ATOM 545 O ILE A 59 3.714 -12.084 5.043 1.00 0.00 O ATOM 546 CB ILE A 59 3.030 -9.113 3.580 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.399 -7.847 4.162 1.00 0.00 C ATOM 548 CG2 ILE A 59 1.975 -10.125 3.127 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.992 -6.877 3.052 1.00 0.00 C ATOM 0 H ILE A 59 5.336 -8.285 3.882 1.00 0.00 H new ATOM 0 HA ILE A 59 3.530 -9.659 5.552 1.00 0.00 H new ATOM 0 HB ILE A 59 3.591 -8.814 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.525 -8.112 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.106 -7.360 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.294 -9.650 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.465 -10.971 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.413 -10.476 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.546 -5.986 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.872 -6.595 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.267 -7.358 2.396 1.00 0.00 H new ATOM 560 N LEU A 60 5.062 -11.513 3.319 1.00 0.00 N ATOM 561 CA LEU A 60 5.385 -12.887 2.971 1.00 0.00 C ATOM 562 C LEU A 60 6.766 -13.238 3.528 1.00 0.00 C ATOM 563 O LEU A 60 6.947 -14.296 4.129 1.00 0.00 O ATOM 564 CB LEU A 60 5.257 -13.102 1.463 1.00 0.00 C ATOM 565 CG LEU A 60 4.948 -11.855 0.631 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.234 -11.121 0.246 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.101 -12.208 -0.593 1.00 0.00 C ATOM 0 H LEU A 60 5.505 -10.808 2.730 1.00 0.00 H new ATOM 0 HA LEU A 60 4.673 -13.574 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.187 -13.537 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.471 -13.836 1.286 1.00 0.00 H new ATOM 0 HG LEU A 60 4.359 -11.173 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.987 -10.239 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.763 -10.816 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.870 -11.784 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.896 -11.304 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.642 -12.919 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.160 -12.653 -0.268 1.00 0.00 H new ATOM 578 N GLY A 61 7.705 -12.330 3.308 1.00 0.00 N ATOM 579 CA GLY A 61 9.065 -12.531 3.779 1.00 0.00 C ATOM 580 C GLY A 61 10.072 -12.351 2.642 1.00 0.00 C ATOM 581 O GLY A 61 11.279 -12.309 2.877 1.00 0.00 O ATOM 0 H GLY A 61 7.551 -11.453 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.285 -11.824 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.163 -13.531 4.201 1.00 0.00 H new ATOM 585 N PHE A 62 9.539 -12.252 1.433 1.00 0.00 N ATOM 586 CA PHE A 62 10.377 -12.078 0.258 1.00 0.00 C ATOM 587 C PHE A 62 9.878 -10.916 -0.604 1.00 0.00 C ATOM 588 O PHE A 62 8.695 -10.581 -0.575 1.00 0.00 O ATOM 589 CB PHE A 62 10.286 -13.374 -0.551 1.00 0.00 C ATOM 590 CG PHE A 62 8.868 -13.943 -0.658 1.00 0.00 C ATOM 591 CD1 PHE A 62 8.021 -13.483 -1.618 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.456 -14.907 0.207 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.707 -14.010 -1.717 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.141 -15.435 0.108 1.00 0.00 C ATOM 595 CZ PHE A 62 6.295 -14.975 -0.852 1.00 0.00 C ATOM 0 H PHE A 62 8.538 -12.289 1.241 1.00 0.00 H new ATOM 0 HA PHE A 62 11.401 -11.857 0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.670 -13.191 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.933 -14.122 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.349 -12.717 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.128 -15.272 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.034 -13.645 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.813 -16.201 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.295 -15.376 -0.928 1.00 0.00 H new ATOM 604 N GLU A 63 10.806 -10.335 -1.350 1.00 0.00 N ATOM 605 CA GLU A 63 10.476 -9.217 -2.218 1.00 0.00 C ATOM 606 C GLU A 63 9.690 -9.706 -3.437 1.00 0.00 C ATOM 607 O GLU A 63 10.251 -10.347 -4.324 1.00 0.00 O ATOM 608 CB GLU A 63 11.737 -8.464 -2.645 1.00 0.00 C ATOM 609 CG GLU A 63 11.397 -7.050 -3.122 1.00 0.00 C ATOM 610 CD GLU A 63 12.074 -6.745 -4.460 1.00 0.00 C ATOM 611 OE1 GLU A 63 13.202 -7.247 -4.652 1.00 0.00 O ATOM 612 OE2 GLU A 63 11.449 -6.016 -5.259 1.00 0.00 O ATOM 0 H GLU A 63 11.786 -10.617 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 63 9.849 -8.522 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.434 -8.412 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.238 -9.010 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.317 -6.947 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.717 -6.324 -2.375 1.00 0.00 H new ATOM 617 N ASP A 64 8.405 -9.385 -3.439 1.00 0.00 N ATOM 618 CA ASP A 64 7.536 -9.783 -4.534 1.00 0.00 C ATOM 619 C ASP A 64 7.920 -9.003 -5.793 1.00 0.00 C ATOM 620 O ASP A 64 9.079 -8.630 -5.968 1.00 0.00 O ATOM 621 CB ASP A 64 6.072 -9.476 -4.215 1.00 0.00 C ATOM 622 CG ASP A 64 5.706 -9.543 -2.731 1.00 0.00 C ATOM 623 OD1 ASP A 64 6.048 -8.576 -2.018 1.00 0.00 O ATOM 624 OD2 ASP A 64 5.091 -10.560 -2.344 1.00 0.00 O ATOM 0 H ASP A 64 7.944 -8.854 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 64 7.654 -10.856 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.836 -8.479 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.442 -10.178 -4.761 1.00 0.00 H new ATOM 628 N ASP A 65 6.924 -8.779 -6.638 1.00 0.00 N ATOM 629 CA ASP A 65 7.142 -8.050 -7.876 1.00 0.00 C ATOM 630 C ASP A 65 5.791 -7.720 -8.514 1.00 0.00 C ATOM 631 O ASP A 65 5.570 -6.597 -8.962 1.00 0.00 O ATOM 632 CB ASP A 65 7.945 -8.888 -8.874 1.00 0.00 C ATOM 633 CG ASP A 65 9.350 -8.363 -9.176 1.00 0.00 C ATOM 634 OD1 ASP A 65 10.020 -7.947 -8.207 1.00 0.00 O ATOM 635 OD2 ASP A 65 9.721 -8.391 -10.369 1.00 0.00 O ATOM 0 H ASP A 65 5.964 -9.090 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 65 7.696 -7.142 -7.639 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.028 -9.904 -8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.387 -8.947 -9.808 1.00 0.00 H new ATOM 639 N VAL A 66 4.922 -8.721 -8.534 1.00 0.00 N ATOM 640 CA VAL A 66 3.599 -8.551 -9.109 1.00 0.00 C ATOM 641 C VAL A 66 2.761 -7.657 -8.193 1.00 0.00 C ATOM 642 O VAL A 66 2.065 -6.758 -8.664 1.00 0.00 O ATOM 643 CB VAL A 66 2.959 -9.918 -9.362 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.129 -10.364 -8.155 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.111 -9.899 -10.634 1.00 0.00 C ATOM 0 H VAL A 66 5.109 -9.652 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 66 3.663 -8.054 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 66 3.760 -10.643 -9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.684 -11.338 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.772 -10.435 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.339 -9.637 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.668 -10.882 -10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.320 -9.156 -10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.740 -9.645 -11.487 1.00 0.00 H new ATOM 655 N VAL A 67 2.854 -7.936 -6.901 1.00 0.00 N ATOM 656 CA VAL A 67 2.112 -7.169 -5.915 1.00 0.00 C ATOM 657 C VAL A 67 2.706 -5.762 -5.818 1.00 0.00 C ATOM 658 O VAL A 67 1.970 -4.778 -5.742 1.00 0.00 O ATOM 659 CB VAL A 67 2.104 -7.908 -4.575 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.156 -9.422 -4.784 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.253 -7.437 -3.682 1.00 0.00 C ATOM 0 H VAL A 67 3.432 -8.682 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 67 1.071 -7.062 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 67 1.168 -7.672 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.149 -9.923 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.289 -9.739 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.067 -9.684 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.224 -7.978 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.203 -7.628 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.152 -6.368 -3.492 1.00 0.00 H new ATOM 671 N ILE A 68 4.029 -5.711 -5.824 1.00 0.00 N ATOM 672 CA ILE A 68 4.729 -4.440 -5.739 1.00 0.00 C ATOM 673 C ILE A 68 4.367 -3.580 -6.950 1.00 0.00 C ATOM 674 O ILE A 68 4.013 -2.411 -6.802 1.00 0.00 O ATOM 675 CB ILE A 68 6.234 -4.669 -5.574 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.524 -5.581 -4.380 1.00 0.00 C ATOM 677 CG2 ILE A 68 6.982 -3.338 -5.473 1.00 0.00 C ATOM 678 CD1 ILE A 68 7.964 -6.097 -4.422 1.00 0.00 C ATOM 0 H ILE A 68 4.635 -6.529 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 68 4.413 -3.889 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 68 6.601 -5.179 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.356 -5.035 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.832 -6.423 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.049 -3.528 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.814 -2.757 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.617 -2.780 -4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.144 -6.743 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.121 -6.663 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.654 -5.253 -4.393 1.00 0.00 H new ATOM 689 N GLU A 69 4.466 -4.191 -8.120 1.00 0.00 N ATOM 690 CA GLU A 69 4.152 -3.495 -9.357 1.00 0.00 C ATOM 691 C GLU A 69 2.728 -2.937 -9.305 1.00 0.00 C ATOM 692 O GLU A 69 2.482 -1.812 -9.739 1.00 0.00 O ATOM 693 CB GLU A 69 4.338 -4.414 -10.566 1.00 0.00 C ATOM 694 CG GLU A 69 5.652 -4.111 -11.288 1.00 0.00 C ATOM 695 CD GLU A 69 5.498 -4.283 -12.801 1.00 0.00 C ATOM 696 OE1 GLU A 69 5.368 -5.451 -13.229 1.00 0.00 O ATOM 697 OE2 GLU A 69 5.515 -3.244 -13.496 1.00 0.00 O ATOM 0 H GLU A 69 4.759 -5.161 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 69 4.844 -2.660 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.329 -5.454 -10.241 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.503 -4.288 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.967 -3.092 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.435 -4.775 -10.921 1.00 0.00 H new ATOM 702 N PHE A 70 1.828 -3.749 -8.772 1.00 0.00 N ATOM 703 CA PHE A 70 0.435 -3.350 -8.658 1.00 0.00 C ATOM 704 C PHE A 70 0.299 -2.051 -7.861 1.00 0.00 C ATOM 705 O PHE A 70 -0.408 -1.135 -8.276 1.00 0.00 O ATOM 706 CB PHE A 70 -0.291 -4.472 -7.910 1.00 0.00 C ATOM 707 CG PHE A 70 -0.964 -5.495 -8.827 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.858 -5.083 -9.766 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.671 -6.817 -8.702 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.484 -6.033 -10.616 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.296 -7.767 -9.552 1.00 0.00 C ATOM 712 CZ PHE A 70 -2.189 -7.355 -10.490 1.00 0.00 C ATOM 0 H PHE A 70 2.035 -4.681 -8.414 1.00 0.00 H new ATOM 0 HA PHE A 70 0.014 -3.182 -9.649 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.423 -4.988 -7.268 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.045 -4.032 -7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.092 -4.033 -9.865 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.038 -7.144 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.194 -5.706 -11.362 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.062 -8.817 -9.453 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.665 -8.078 -11.136 1.00 0.00 H new ATOM 721 N ILE A 71 0.989 -2.014 -6.730 1.00 0.00 N ATOM 722 CA ILE A 71 0.954 -0.843 -5.871 1.00 0.00 C ATOM 723 C ILE A 71 1.739 0.292 -6.532 1.00 0.00 C ATOM 724 O ILE A 71 1.290 1.438 -6.544 1.00 0.00 O ATOM 725 CB ILE A 71 1.447 -1.193 -4.466 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.610 -2.320 -3.857 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.478 0.047 -3.571 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.482 -3.530 -3.517 1.00 0.00 C ATOM 0 H ILE A 71 1.575 -2.776 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.071 -0.493 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 71 2.471 -1.558 -4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.112 -1.962 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.172 -2.616 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.832 -0.230 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.149 0.790 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.475 0.466 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.862 -4.316 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.959 -3.901 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.247 -3.237 -2.798 1.00 0.00 H new ATOM 739 N PHE A 72 2.897 -0.065 -7.067 1.00 0.00 N ATOM 740 CA PHE A 72 3.748 0.909 -7.729 1.00 0.00 C ATOM 741 C PHE A 72 3.058 1.492 -8.964 1.00 0.00 C ATOM 742 O PHE A 72 3.028 2.708 -9.146 1.00 0.00 O ATOM 743 CB PHE A 72 5.014 0.171 -8.168 1.00 0.00 C ATOM 744 CG PHE A 72 6.303 0.972 -7.967 1.00 0.00 C ATOM 745 CD1 PHE A 72 6.319 2.309 -8.216 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.432 0.346 -7.539 1.00 0.00 C ATOM 747 CE1 PHE A 72 7.514 3.052 -8.029 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.628 1.090 -7.351 1.00 0.00 C ATOM 749 CZ PHE A 72 8.643 2.427 -7.601 1.00 0.00 C ATOM 0 H PHE A 72 3.266 -1.016 -7.056 1.00 0.00 H new ATOM 0 HA PHE A 72 3.971 1.731 -7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.089 -0.764 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.922 -0.092 -9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.422 2.806 -8.556 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.420 -0.716 -7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.526 4.114 -8.227 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.525 0.594 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.552 2.992 -7.459 1.00 0.00 H new ATOM 758 N ASN A 73 2.520 0.596 -9.779 1.00 0.00 N ATOM 759 CA ASN A 73 1.833 1.007 -10.991 1.00 0.00 C ATOM 760 C ASN A 73 0.592 1.823 -10.617 1.00 0.00 C ATOM 761 O ASN A 73 0.272 2.810 -11.278 1.00 0.00 O ATOM 762 CB ASN A 73 1.373 -0.207 -11.801 1.00 0.00 C ATOM 763 CG ASN A 73 2.514 -0.757 -12.660 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.527 -0.635 -13.873 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.469 -1.367 -11.963 1.00 0.00 N ATOM 0 H ASN A 73 2.546 -0.412 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 73 2.527 1.598 -11.588 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.014 -0.984 -11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.535 0.073 -12.439 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.274 -1.768 -12.444 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.396 -1.434 -10.948 1.00 0.00 H new ATOM 771 N GLN A 74 -0.072 1.379 -9.561 1.00 0.00 N ATOM 772 CA GLN A 74 -1.269 2.055 -9.091 1.00 0.00 C ATOM 773 C GLN A 74 -0.900 3.370 -8.401 1.00 0.00 C ATOM 774 O GLN A 74 -1.601 4.370 -8.547 1.00 0.00 O ATOM 775 CB GLN A 74 -2.077 1.153 -8.156 1.00 0.00 C ATOM 776 CG GLN A 74 -2.950 0.180 -8.952 1.00 0.00 C ATOM 777 CD GLN A 74 -2.179 -0.402 -10.139 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.766 0.299 -11.048 1.00 0.00 O ATOM 779 NE2 GLN A 74 -2.009 -1.720 -10.081 1.00 0.00 N ATOM 0 H GLN A 74 0.196 0.559 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.896 2.283 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.400 0.594 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.705 1.764 -7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.287 -0.627 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.842 0.695 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.380 -2.248 -9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.507 -2.203 -10.826 1.00 0.00 H new ATOM 786 N LEU A 75 0.200 3.326 -7.664 1.00 0.00 N ATOM 787 CA LEU A 75 0.670 4.501 -6.950 1.00 0.00 C ATOM 788 C LEU A 75 1.373 5.441 -7.931 1.00 0.00 C ATOM 789 O LEU A 75 1.808 6.527 -7.554 1.00 0.00 O ATOM 790 CB LEU A 75 1.540 4.092 -5.760 1.00 0.00 C ATOM 791 CG LEU A 75 0.798 3.505 -4.557 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.697 3.473 -3.320 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.508 4.259 -4.297 1.00 0.00 C ATOM 0 H LEU A 75 0.779 2.495 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.170 5.051 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.270 3.360 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.098 4.966 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 75 0.534 2.473 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.145 3.051 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.574 2.858 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.014 4.487 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.016 3.822 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.289 5.307 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.151 4.186 -5.174 1.00 0.00 H new ATOM 804 N GLU A 76 1.465 4.987 -9.173 1.00 0.00 N ATOM 805 CA GLU A 76 2.108 5.774 -10.212 1.00 0.00 C ATOM 806 C GLU A 76 1.116 6.773 -10.812 1.00 0.00 C ATOM 807 O GLU A 76 1.496 7.624 -11.614 1.00 0.00 O ATOM 808 CB GLU A 76 2.700 4.871 -11.296 1.00 0.00 C ATOM 809 CG GLU A 76 4.130 4.457 -10.945 1.00 0.00 C ATOM 810 CD GLU A 76 5.120 4.960 -11.997 1.00 0.00 C ATOM 811 OE1 GLU A 76 5.424 6.172 -11.956 1.00 0.00 O ATOM 812 OE2 GLU A 76 5.551 4.121 -12.817 1.00 0.00 O ATOM 0 H GLU A 76 1.105 4.084 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 76 2.929 6.333 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.079 3.983 -11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.693 5.393 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.399 4.857 -9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.191 3.371 -10.873 1.00 0.00 H new ATOM 817 N VAL A 77 -0.136 6.636 -10.399 1.00 0.00 N ATOM 818 CA VAL A 77 -1.183 7.517 -10.886 1.00 0.00 C ATOM 819 C VAL A 77 -1.468 8.593 -9.836 1.00 0.00 C ATOM 820 O VAL A 77 -0.707 8.753 -8.883 1.00 0.00 O ATOM 821 CB VAL A 77 -2.424 6.700 -11.255 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.040 5.451 -12.052 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.228 6.329 -10.007 1.00 0.00 C ATOM 0 H VAL A 77 -0.448 5.929 -9.733 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.862 8.026 -11.795 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.058 7.320 -11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.939 4.888 -12.302 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.531 5.747 -12.969 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.376 4.827 -11.453 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.104 5.749 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.606 5.736 -9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.547 7.238 -9.497 1.00 0.00 H new ATOM 833 N LYS A 78 -2.567 9.303 -10.045 1.00 0.00 N ATOM 834 CA LYS A 78 -2.961 10.360 -9.128 1.00 0.00 C ATOM 835 C LYS A 78 -4.141 9.880 -8.282 1.00 0.00 C ATOM 836 O LYS A 78 -4.422 10.445 -7.225 1.00 0.00 O ATOM 837 CB LYS A 78 -3.239 11.656 -9.892 1.00 0.00 C ATOM 838 CG LYS A 78 -2.083 11.995 -10.835 1.00 0.00 C ATOM 839 CD LYS A 78 -2.319 11.403 -12.226 1.00 0.00 C ATOM 840 CE LYS A 78 -3.587 11.980 -12.861 1.00 0.00 C ATOM 841 NZ LYS A 78 -3.400 12.163 -14.317 1.00 0.00 N ATOM 0 H LYS A 78 -3.197 9.167 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.148 10.591 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.162 11.555 -10.464 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.389 12.473 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.975 13.077 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.150 11.609 -10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.461 11.613 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.405 10.319 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.429 11.312 -12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.831 12.936 -12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.269 12.555 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.610 12.818 -14.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.189 11.245 -14.758 1.00 0.00 H new ATOM 851 N ASN A 79 -4.800 8.842 -8.776 1.00 0.00 N ATOM 852 CA ASN A 79 -5.944 8.280 -8.078 1.00 0.00 C ATOM 853 C ASN A 79 -5.916 6.756 -8.208 1.00 0.00 C ATOM 854 O ASN A 79 -6.508 6.196 -9.129 1.00 0.00 O ATOM 855 CB ASN A 79 -7.258 8.782 -8.679 1.00 0.00 C ATOM 856 CG ASN A 79 -8.024 9.648 -7.678 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.019 9.243 -7.100 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.506 10.861 -7.504 1.00 0.00 N ATOM 0 H ASN A 79 -4.563 8.375 -9.652 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.886 8.587 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.053 9.358 -9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.874 7.933 -8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.944 11.514 -6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.670 11.137 -8.020 1.00 0.00 H new ATOM 864 N PRO A 80 -5.203 6.110 -7.246 1.00 0.00 N ATOM 865 CA PRO A 80 -5.090 4.661 -7.245 1.00 0.00 C ATOM 866 C PRO A 80 -6.389 4.011 -6.767 1.00 0.00 C ATOM 867 O PRO A 80 -7.167 4.628 -6.041 1.00 0.00 O ATOM 868 CB PRO A 80 -3.906 4.360 -6.338 1.00 0.00 C ATOM 869 CG PRO A 80 -3.693 5.611 -5.502 1.00 0.00 C ATOM 870 CD PRO A 80 -4.488 6.739 -6.140 1.00 0.00 C ATOM 0 HA PRO A 80 -4.926 4.250 -8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.109 3.497 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.016 4.124 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.022 5.445 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.634 5.866 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.179 7.189 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.832 7.535 -6.494 1.00 0.00 H new ATOM 875 N ASP A 81 -6.585 2.771 -7.192 1.00 0.00 N ATOM 876 CA ASP A 81 -7.777 2.030 -6.816 1.00 0.00 C ATOM 877 C ASP A 81 -7.431 1.051 -5.693 1.00 0.00 C ATOM 878 O ASP A 81 -7.090 -0.103 -5.953 1.00 0.00 O ATOM 879 CB ASP A 81 -8.319 1.222 -7.998 1.00 0.00 C ATOM 880 CG ASP A 81 -9.546 0.363 -7.685 1.00 0.00 C ATOM 881 OD1 ASP A 81 -10.343 0.802 -6.830 1.00 0.00 O ATOM 882 OD2 ASP A 81 -9.657 -0.714 -8.309 1.00 0.00 O ATOM 0 H ASP A 81 -5.938 2.261 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.532 2.747 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.572 1.911 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.526 0.574 -8.370 1.00 0.00 H new ATOM 886 N SER A 82 -7.530 1.546 -4.468 1.00 0.00 N ATOM 887 CA SER A 82 -7.232 0.729 -3.304 1.00 0.00 C ATOM 888 C SER A 82 -7.899 -0.640 -3.441 1.00 0.00 C ATOM 889 O SER A 82 -7.365 -1.645 -2.975 1.00 0.00 O ATOM 890 CB SER A 82 -7.689 1.417 -2.016 1.00 0.00 C ATOM 891 OG SER A 82 -9.043 1.856 -2.098 1.00 0.00 O ATOM 0 H SER A 82 -7.812 2.503 -4.256 1.00 0.00 H new ATOM 0 HA SER A 82 -6.152 0.595 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.581 0.728 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.043 2.271 -1.812 1.00 0.00 H new ATOM 0 HG SER A 82 -9.233 2.471 -1.359 1.00 0.00 H new ATOM 896 N LYS A 83 -9.060 -0.636 -4.081 1.00 0.00 N ATOM 897 CA LYS A 83 -9.807 -1.865 -4.284 1.00 0.00 C ATOM 898 C LYS A 83 -8.942 -2.860 -5.061 1.00 0.00 C ATOM 899 O LYS A 83 -8.882 -4.039 -4.714 1.00 0.00 O ATOM 900 CB LYS A 83 -11.153 -1.571 -4.950 1.00 0.00 C ATOM 901 CG LYS A 83 -11.954 -0.551 -4.138 1.00 0.00 C ATOM 902 CD LYS A 83 -12.472 -1.169 -2.839 1.00 0.00 C ATOM 903 CE LYS A 83 -12.968 -0.088 -1.876 1.00 0.00 C ATOM 904 NZ LYS A 83 -13.544 -0.701 -0.660 1.00 0.00 N ATOM 0 H LYS A 83 -9.501 0.199 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.045 -2.328 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.989 -1.191 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.725 -2.494 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.327 0.311 -3.910 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.793 -0.187 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.283 -1.863 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.678 -1.747 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.143 0.570 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.718 0.530 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.278 -0.076 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.965 -1.621 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.795 -0.838 0.048 1.00 0.00 H new ATOM 914 N MET A 84 -8.293 -2.349 -6.097 1.00 0.00 N ATOM 915 CA MET A 84 -7.434 -3.177 -6.925 1.00 0.00 C ATOM 916 C MET A 84 -6.185 -3.613 -6.155 1.00 0.00 C ATOM 917 O MET A 84 -5.703 -4.732 -6.329 1.00 0.00 O ATOM 918 CB MET A 84 -7.017 -2.394 -8.172 1.00 0.00 C ATOM 919 CG MET A 84 -7.369 -3.165 -9.446 1.00 0.00 C ATOM 920 SD MET A 84 -6.355 -4.628 -9.575 1.00 0.00 S ATOM 921 CE MET A 84 -7.410 -5.811 -8.754 1.00 0.00 C ATOM 0 H MET A 84 -8.345 -1.371 -6.382 1.00 0.00 H new ATOM 0 HA MET A 84 -7.990 -4.069 -7.214 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.515 -1.424 -8.180 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.944 -2.202 -8.143 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.423 -3.443 -9.433 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.218 -2.530 -10.319 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.978 -6.076 -7.789 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.397 -5.374 -8.602 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.500 -6.706 -9.369 1.00 0.00 H new ATOM 929 N MET A 85 -5.697 -2.708 -5.320 1.00 0.00 N ATOM 930 CA MET A 85 -4.515 -2.985 -4.523 1.00 0.00 C ATOM 931 C MET A 85 -4.746 -4.180 -3.595 1.00 0.00 C ATOM 932 O MET A 85 -3.971 -5.134 -3.601 1.00 0.00 O ATOM 933 CB MET A 85 -4.160 -1.753 -3.689 1.00 0.00 C ATOM 934 CG MET A 85 -2.739 -1.273 -3.996 1.00 0.00 C ATOM 935 SD MET A 85 -2.681 -0.541 -5.623 1.00 0.00 S ATOM 936 CE MET A 85 -3.008 1.163 -5.208 1.00 0.00 C ATOM 0 H MET A 85 -6.099 -1.781 -5.178 1.00 0.00 H new ATOM 0 HA MET A 85 -3.694 -3.226 -5.198 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.871 -0.953 -3.896 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.246 -1.990 -2.629 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.423 -0.545 -3.249 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.043 -2.110 -3.940 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.894 1.504 -5.744 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.177 1.250 -4.135 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.153 1.777 -5.492 1.00 0.00 H new ATOM 944 N GLN A 86 -5.817 -4.087 -2.820 1.00 0.00 N ATOM 945 CA GLN A 86 -6.160 -5.148 -1.888 1.00 0.00 C ATOM 946 C GLN A 86 -6.536 -6.421 -2.650 1.00 0.00 C ATOM 947 O GLN A 86 -6.265 -7.528 -2.187 1.00 0.00 O ATOM 948 CB GLN A 86 -7.292 -4.713 -0.954 1.00 0.00 C ATOM 949 CG GLN A 86 -6.901 -4.916 0.511 1.00 0.00 C ATOM 950 CD GLN A 86 -7.859 -5.888 1.204 1.00 0.00 C ATOM 951 OE1 GLN A 86 -7.554 -7.048 1.427 1.00 0.00 O ATOM 952 NE2 GLN A 86 -9.030 -5.352 1.532 1.00 0.00 N ATOM 0 H GLN A 86 -6.458 -3.294 -2.818 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.287 -5.361 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.530 -3.664 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.193 -5.285 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.882 -5.300 0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.911 -3.958 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.221 -4.374 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.737 -5.919 1.999 1.00 0.00 H new ATOM 959 N ILE A 87 -7.156 -6.222 -3.803 1.00 0.00 N ATOM 960 CA ILE A 87 -7.572 -7.340 -4.633 1.00 0.00 C ATOM 961 C ILE A 87 -6.334 -8.069 -5.157 1.00 0.00 C ATOM 962 O ILE A 87 -6.298 -9.298 -5.185 1.00 0.00 O ATOM 963 CB ILE A 87 -8.520 -6.865 -5.737 1.00 0.00 C ATOM 964 CG1 ILE A 87 -9.946 -6.711 -5.205 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.457 -7.793 -6.951 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.732 -5.690 -6.031 1.00 0.00 C ATOM 0 H ILE A 87 -7.381 -5.302 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.141 -8.060 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.192 -5.880 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.454 -7.675 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.917 -6.395 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.140 -7.433 -7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.441 -7.807 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.745 -8.801 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.742 -5.599 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.234 -4.722 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.780 -6.021 -7.068 1.00 0.00 H new ATOM 977 N ASN A 88 -5.349 -7.280 -5.560 1.00 0.00 N ATOM 978 CA ASN A 88 -4.111 -7.836 -6.083 1.00 0.00 C ATOM 979 C ASN A 88 -3.295 -8.424 -4.930 1.00 0.00 C ATOM 980 O ASN A 88 -2.761 -9.526 -5.042 1.00 0.00 O ATOM 981 CB ASN A 88 -3.265 -6.755 -6.758 1.00 0.00 C ATOM 982 CG ASN A 88 -4.043 -6.074 -7.885 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.697 -6.917 -8.678 1.00 0.00 O flip ATOM 984 ND2 ASN A 88 -4.050 -4.861 -8.026 1.00 0.00 N flip ATOM 0 H ASN A 88 -5.382 -6.261 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.367 -8.603 -6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.962 -6.012 -6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.353 -7.199 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.526 -4.270 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.580 -4.439 -8.789 1.00 0.00 H new ATOM 990 N LEU A 89 -3.224 -7.662 -3.849 1.00 0.00 N ATOM 991 CA LEU A 89 -2.482 -8.094 -2.676 1.00 0.00 C ATOM 992 C LEU A 89 -3.053 -9.423 -2.178 1.00 0.00 C ATOM 993 O LEU A 89 -2.303 -10.355 -1.888 1.00 0.00 O ATOM 994 CB LEU A 89 -2.470 -6.994 -1.614 1.00 0.00 C ATOM 995 CG LEU A 89 -1.546 -5.805 -1.890 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.357 -4.953 -0.632 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.211 -6.272 -2.471 1.00 0.00 C ATOM 0 H LEU A 89 -3.668 -6.748 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.437 -8.270 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.487 -6.619 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.182 -7.439 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.020 -5.171 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.696 -4.115 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.324 -4.574 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.916 -5.562 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.427 -5.408 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.280 -6.939 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.387 -6.802 -3.407 1.00 0.00 H new ATOM 1008 N THR A 90 -4.373 -9.469 -2.093 1.00 0.00 N ATOM 1009 CA THR A 90 -5.054 -10.668 -1.635 1.00 0.00 C ATOM 1010 C THR A 90 -4.719 -11.852 -2.545 1.00 0.00 C ATOM 1011 O THR A 90 -4.835 -13.006 -2.137 1.00 0.00 O ATOM 1012 CB THR A 90 -6.551 -10.364 -1.561 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.639 -9.278 -0.642 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.344 -11.486 -0.887 1.00 0.00 C ATOM 0 H THR A 90 -4.991 -8.694 -2.334 1.00 0.00 H new ATOM 0 HA THR A 90 -4.717 -10.957 -0.639 1.00 0.00 H new ATOM 0 HB THR A 90 -6.938 -10.199 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.839 -8.452 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.401 -11.220 -0.860 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.217 -12.410 -1.450 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.980 -11.628 0.131 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.310 -11.524 -3.762 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.958 -12.545 -4.734 1.00 0.00 C ATOM 1024 C GLY A 91 -2.627 -13.210 -4.372 1.00 0.00 C ATOM 1025 O GLY A 91 -2.381 -14.356 -4.745 1.00 0.00 O ATOM 0 H GLY A 91 -4.215 -10.565 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.745 -13.298 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.888 -12.099 -5.726 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.805 -12.462 -3.652 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.506 -12.964 -3.236 1.00 0.00 C ATOM 1031 C PHE A 92 -0.451 -13.150 -1.719 1.00 0.00 C ATOM 1032 O PHE A 92 0.114 -14.127 -1.230 1.00 0.00 O ATOM 1033 CB PHE A 92 0.531 -11.918 -3.648 1.00 0.00 C ATOM 1034 CG PHE A 92 1.504 -12.397 -4.727 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.029 -12.975 -5.863 1.00 0.00 C ATOM 1036 CD2 PHE A 92 2.844 -12.245 -4.550 1.00 0.00 C ATOM 1037 CE1 PHE A 92 1.932 -13.420 -6.864 1.00 0.00 C ATOM 1038 CE2 PHE A 92 3.747 -12.690 -5.551 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.271 -13.268 -6.688 1.00 0.00 C ATOM 0 H PHE A 92 -2.013 -11.512 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.314 -13.931 -3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.012 -11.030 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.100 -11.619 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.035 -13.095 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.221 -11.786 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.555 -13.879 -7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.811 -12.570 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.958 -13.606 -7.450 1.00 0.00 H new ATOM 1048 N LEU A 93 -1.044 -12.197 -1.015 1.00 0.00 N ATOM 1049 CA LEU A 93 -1.069 -12.243 0.437 1.00 0.00 C ATOM 1050 C LEU A 93 -2.022 -13.351 0.891 1.00 0.00 C ATOM 1051 O LEU A 93 -2.408 -14.207 0.097 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.407 -10.866 1.011 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.592 -9.693 0.464 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.580 -8.525 1.454 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.822 -10.137 0.084 1.00 0.00 C ATOM 0 H LEU A 93 -1.511 -11.388 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.082 -12.491 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.463 -10.667 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.274 -10.902 2.092 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.073 -9.338 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.006 -7.704 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.601 -8.188 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.136 -8.850 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.380 -9.284 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.328 -10.533 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.767 -10.911 -0.682 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.376 -13.297 2.167 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.277 -14.284 2.736 1.00 0.00 C ATOM 1068 C ASN A 94 -4.711 -13.753 2.678 1.00 0.00 C ATOM 1069 O ASN A 94 -5.665 -14.512 2.846 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.935 -14.561 4.201 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.635 -15.358 4.320 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.630 -16.571 4.456 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.536 -14.613 4.259 1.00 0.00 N ATOM 0 H ASN A 94 -2.055 -12.585 2.823 1.00 0.00 H new ATOM 0 HA ASN A 94 -3.176 -15.204 2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.838 -13.618 4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.749 -15.114 4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.382 -15.052 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.611 -13.602 4.144 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.819 -12.455 2.438 1.00 0.00 N ATOM 1080 CA GLY A 95 -6.119 -11.813 2.355 1.00 0.00 C ATOM 1081 C GLY A 95 -6.344 -10.874 3.541 1.00 0.00 C ATOM 1082 O GLY A 95 -6.823 -9.754 3.369 1.00 0.00 O ATOM 0 H GLY A 95 -4.026 -11.829 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.192 -11.252 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.902 -12.571 2.333 1.00 0.00 H new ATOM 1086 N LYS A 96 -5.990 -11.365 4.719 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.147 -10.584 5.935 1.00 0.00 C ATOM 1088 C LYS A 96 -5.059 -9.508 5.988 1.00 0.00 C ATOM 1089 O LYS A 96 -5.320 -8.375 6.388 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.169 -11.497 7.161 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.541 -12.153 7.331 1.00 0.00 C ATOM 1092 CD LYS A 96 -7.602 -12.970 8.623 1.00 0.00 C ATOM 1093 CE LYS A 96 -8.854 -13.849 8.657 1.00 0.00 C ATOM 1094 NZ LYS A 96 -8.691 -14.945 9.639 1.00 0.00 N ATOM 0 H LYS A 96 -5.595 -12.295 4.858 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.107 -10.068 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.404 -12.267 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.925 -10.920 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.315 -11.386 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.747 -12.799 6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.712 -13.595 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.601 -12.299 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.723 -13.245 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.041 -14.265 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.549 -15.532 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.874 -15.531 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.535 -14.543 10.585 1.00 0.00 H new ATOM 1104 N ASN A 97 -3.862 -9.902 5.580 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.733 -8.987 5.577 1.00 0.00 C ATOM 1106 C ASN A 97 -2.982 -7.881 4.549 1.00 0.00 C ATOM 1107 O ASN A 97 -2.522 -6.754 4.723 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.440 -9.708 5.191 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.492 -9.811 6.387 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.194 -10.885 6.885 1.00 0.00 O ATOM 1111 ND2 ASN A 97 -0.035 -8.639 6.817 1.00 0.00 N ATOM 0 H ASN A 97 -3.649 -10.843 5.249 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.630 -8.575 6.581 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.673 -10.706 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.949 -9.172 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.606 -8.601 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.325 -7.778 6.354 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.710 -8.242 3.503 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.026 -7.294 2.448 1.00 0.00 C ATOM 1119 C ALA A 98 -4.894 -6.172 3.021 1.00 0.00 C ATOM 1120 O ALA A 98 -4.692 -5.001 2.701 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.707 -8.025 1.291 1.00 0.00 C ATOM 0 H ALA A 98 -4.090 -9.178 3.363 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.116 -6.840 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.944 -7.313 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.038 -8.792 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.626 -8.492 1.646 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.842 -6.569 3.857 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.742 -5.610 4.476 1.00 0.00 C ATOM 1129 C ARG A 99 -5.975 -4.715 5.451 1.00 0.00 C ATOM 1130 O ARG A 99 -6.213 -3.509 5.510 1.00 0.00 O ATOM 1131 CB ARG A 99 -7.870 -6.321 5.227 1.00 0.00 C ATOM 1132 CG ARG A 99 -8.665 -7.232 4.289 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.113 -7.377 4.764 1.00 0.00 C ATOM 1134 NE ARG A 99 -10.240 -8.558 5.645 1.00 0.00 N ATOM 1135 CZ ARG A 99 -10.012 -8.538 6.965 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -9.643 -7.398 7.565 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -10.153 -9.659 7.687 1.00 0.00 N ATOM 0 H ARG A 99 -6.007 -7.541 4.120 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.175 -5.001 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.453 -6.910 6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.536 -5.583 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.649 -6.823 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.193 -8.214 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.421 -6.479 5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.777 -7.480 3.906 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.519 -9.443 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.536 -6.545 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.470 -7.384 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.434 -10.527 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.979 -9.644 8.692 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.070 -5.338 6.191 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.266 -4.613 7.159 1.00 0.00 C ATOM 1150 C GLU A 100 -3.222 -3.751 6.444 1.00 0.00 C ATOM 1151 O GLU A 100 -2.942 -2.630 6.867 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.601 -5.571 8.149 1.00 0.00 C ATOM 1153 CG GLU A 100 -4.347 -5.584 9.485 1.00 0.00 C ATOM 1154 CD GLU A 100 -4.367 -4.189 10.115 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -3.283 -3.569 10.153 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -5.467 -3.776 10.543 1.00 0.00 O ATOM 0 H GLU A 100 -4.876 -6.338 6.139 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.924 -3.956 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.581 -6.577 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.565 -5.272 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.368 -5.933 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.869 -6.288 10.166 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.675 -4.309 5.374 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.669 -3.606 4.596 1.00 0.00 C ATOM 1163 C PHE A 101 -2.234 -2.310 4.011 1.00 0.00 C ATOM 1164 O PHE A 101 -1.629 -1.248 4.146 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.261 -4.534 3.450 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.385 -3.864 2.390 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -0.960 -3.158 1.380 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.969 -3.975 2.456 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.148 -2.536 0.396 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.782 -3.354 1.471 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.206 -2.648 0.462 1.00 0.00 C ATOM 0 H PHE A 101 -2.909 -5.239 5.028 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.822 -3.347 5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.725 -5.389 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.161 -4.921 2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.035 -3.071 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.426 -4.536 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.605 -1.974 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.857 -3.443 1.523 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.824 -2.176 -0.288 1.00 0.00 H new ATOM 1180 N MET A 102 -3.388 -2.441 3.373 1.00 0.00 N ATOM 1181 CA MET A 102 -4.041 -1.293 2.765 1.00 0.00 C ATOM 1182 C MET A 102 -4.526 -0.310 3.834 1.00 0.00 C ATOM 1183 O MET A 102 -4.553 0.897 3.603 1.00 0.00 O ATOM 1184 CB MET A 102 -5.231 -1.767 1.929 1.00 0.00 C ATOM 1185 CG MET A 102 -4.791 -2.149 0.515 1.00 0.00 C ATOM 1186 SD MET A 102 -5.857 -1.371 -0.688 1.00 0.00 S ATOM 1187 CE MET A 102 -4.969 0.156 -0.946 1.00 0.00 C ATOM 0 H MET A 102 -3.888 -3.324 3.264 1.00 0.00 H new ATOM 0 HA MET A 102 -3.319 -0.782 2.128 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.700 -2.624 2.412 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.982 -0.979 1.879 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.758 -1.841 0.351 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.823 -3.232 0.395 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.944 0.387 -2.011 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.470 0.963 -0.411 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.950 0.052 -0.573 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.897 -0.865 4.978 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.379 -0.052 6.082 1.00 0.00 C ATOM 1197 C GLY A 103 -4.214 0.577 6.849 1.00 0.00 C ATOM 1198 O GLY A 103 -4.400 1.100 7.948 1.00 0.00 O ATOM 0 H GLY A 103 -4.874 -1.868 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.034 0.732 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.975 -0.666 6.758 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.039 0.505 6.241 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.845 1.061 6.854 1.00 0.00 C ATOM 1204 C GLU A 104 -1.118 1.976 5.866 1.00 0.00 C ATOM 1205 O GLU A 104 -0.464 2.937 6.270 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.918 -0.049 7.355 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.430 -0.638 8.670 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.365 -0.544 9.766 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.068 0.597 10.038 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.009 -1.613 10.305 1.00 0.00 O ATOM 0 H GLU A 104 -2.889 0.070 5.331 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.147 1.655 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.847 -0.835 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.087 0.348 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.328 -0.107 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.712 -1.680 8.520 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.258 1.647 4.590 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.624 2.428 3.542 1.00 0.00 C ATOM 1217 C LEU A 105 -1.632 3.433 2.979 1.00 0.00 C ATOM 1218 O LEU A 105 -1.273 4.566 2.664 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.017 1.507 2.482 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.404 1.807 1.031 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.860 1.420 0.762 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.126 3.270 0.680 1.00 0.00 C ATOM 0 H LEU A 105 -1.801 0.850 4.258 1.00 0.00 H new ATOM 0 HA LEU A 105 0.208 3.004 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.069 1.556 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.308 0.482 2.710 1.00 0.00 H new ATOM 0 HG LEU A 105 0.219 1.196 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.110 1.643 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.993 0.354 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.515 1.987 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.410 3.456 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.706 3.918 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.936 3.480 0.808 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.873 2.981 2.872 1.00 0.00 N ATOM 1234 CA TRP A 106 -3.935 3.826 2.353 1.00 0.00 C ATOM 1235 C TRP A 106 -4.054 5.048 3.266 1.00 0.00 C ATOM 1236 O TRP A 106 -4.193 6.173 2.788 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.244 3.045 2.226 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.243 3.661 1.243 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.435 4.209 1.513 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.085 3.769 -0.188 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.056 4.661 0.367 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.209 4.386 -0.700 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.029 3.361 -1.021 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.383 4.647 -2.065 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.219 3.629 -2.381 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.344 4.248 -2.914 1.00 0.00 C ATOM 0 H TRP A 106 -3.167 2.041 3.136 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.700 4.166 1.344 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.018 2.027 1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.711 2.977 3.208 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.857 4.287 2.504 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.968 5.114 0.313 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.141 2.878 -0.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.272 5.131 -2.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.437 3.334 -3.065 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.416 4.420 -3.978 1.00 0.00 H new ATOM 1256 N PRO A 107 -3.995 4.779 4.598 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.095 5.844 5.582 1.00 0.00 C ATOM 1258 C PRO A 107 -2.796 6.650 5.652 1.00 0.00 C ATOM 1259 O PRO A 107 -2.811 7.829 6.001 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.430 5.142 6.888 1.00 0.00 C ATOM 1261 CG PRO A 107 -4.048 3.685 6.688 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.832 3.459 5.201 1.00 0.00 C ATOM 0 HA PRO A 107 -4.861 6.578 5.332 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.878 5.580 7.720 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.490 5.239 7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.142 3.448 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.834 3.029 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.840 3.053 5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.554 2.748 4.799 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.704 5.980 5.314 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.398 6.620 5.334 1.00 0.00 C ATOM 1269 C LEU A 108 -0.414 7.830 4.398 1.00 0.00 C ATOM 1270 O LEU A 108 0.101 8.892 4.744 1.00 0.00 O ATOM 1271 CB LEU A 108 0.699 5.605 5.010 1.00 0.00 C ATOM 1272 CG LEU A 108 1.840 5.504 6.025 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.724 4.222 6.854 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.201 5.617 5.335 1.00 0.00 C ATOM 0 H LEU A 108 -1.696 5.002 5.025 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.170 6.993 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.239 4.622 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.124 5.857 4.039 1.00 0.00 H new ATOM 0 HG LEU A 108 1.758 6.344 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.547 4.174 7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.776 4.221 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.766 3.356 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.994 5.542 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.308 4.812 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.272 6.578 4.825 1.00 0.00 H new ATOM 1285 N LEU A 109 -1.010 7.629 3.233 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.099 8.691 2.245 1.00 0.00 C ATOM 1287 C LEU A 109 -2.108 9.739 2.719 1.00 0.00 C ATOM 1288 O LEU A 109 -1.949 10.928 2.444 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.416 8.113 0.864 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.626 6.866 0.462 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.406 6.025 -0.550 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.764 7.242 -0.057 1.00 0.00 C ATOM 0 H LEU A 109 -1.436 6.747 2.950 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.139 9.196 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.479 7.873 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.238 8.888 0.118 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.484 6.251 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.822 5.145 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.353 5.712 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.600 6.618 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.305 6.338 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.664 7.889 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.314 7.768 0.724 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.123 9.262 3.423 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.158 10.143 3.938 1.00 0.00 C ATOM 1305 C LEU A 110 -3.507 11.266 4.748 1.00 0.00 C ATOM 1306 O LEU A 110 -3.868 12.433 4.598 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.200 9.344 4.722 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.390 8.821 3.915 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.037 8.701 2.431 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.904 7.500 4.490 1.00 0.00 C ATOM 0 H LEU A 110 -3.251 8.276 3.649 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.702 10.613 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.702 8.495 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.580 9.972 5.527 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.201 9.545 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.900 8.327 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.756 9.680 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.203 8.010 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.750 7.150 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.108 6.756 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.221 7.651 5.522 1.00 0.00 H new ATOM 1321 N SER A 111 -2.560 10.875 5.589 1.00 0.00 N ATOM 1322 CA SER A 111 -1.857 11.835 6.422 1.00 0.00 C ATOM 1323 C SER A 111 -0.783 12.553 5.602 1.00 0.00 C ATOM 1324 O SER A 111 -0.492 13.724 5.842 1.00 0.00 O ATOM 1325 CB SER A 111 -1.228 11.151 7.638 1.00 0.00 C ATOM 1326 OG SER A 111 -1.624 11.767 8.860 1.00 0.00 O ATOM 0 H SER A 111 -2.264 9.907 5.711 1.00 0.00 H new ATOM 0 HA SER A 111 -2.579 12.568 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.516 10.100 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.142 11.183 7.551 1.00 0.00 H new ATOM 0 HG SER A 111 -1.203 11.301 9.613 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.224 11.821 4.649 1.00 0.00 N ATOM 1332 CA ALA A 112 0.812 12.373 3.792 1.00 0.00 C ATOM 1333 C ALA A 112 0.220 13.506 2.951 1.00 0.00 C ATOM 1334 O ALA A 112 0.810 14.581 2.849 1.00 0.00 O ATOM 1335 CB ALA A 112 1.410 11.258 2.931 1.00 0.00 C ATOM 0 H ALA A 112 -0.469 10.851 4.452 1.00 0.00 H new ATOM 0 HA ALA A 112 1.622 12.793 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.187 11.672 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.842 10.492 3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.628 10.815 2.315 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.938 13.227 2.370 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.614 14.210 1.542 1.00 0.00 C ATOM 1343 C GLN A 113 -1.959 15.452 2.366 1.00 0.00 C ATOM 1344 O GLN A 113 -2.265 16.506 1.809 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.869 13.614 0.898 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.904 13.239 1.960 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.286 13.043 1.332 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -5.374 11.974 0.545 1.00 0.00 O flip ATOM 1349 NE2 GLN A 113 -6.209 13.809 1.548 1.00 0.00 N flip ATOM 0 H GLN A 113 -1.424 12.335 2.457 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.938 14.506 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.301 14.333 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.600 12.731 0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.597 12.323 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.952 14.021 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -6.073 14.611 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.118 13.648 1.114 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.899 15.288 3.679 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.201 16.383 4.586 1.00 0.00 C ATOM 1358 C GLU A 114 -0.930 17.174 4.904 1.00 0.00 C ATOM 1359 O GLU A 114 -0.994 18.238 5.518 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.861 15.868 5.866 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.233 15.260 5.569 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.337 16.001 6.325 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.732 17.081 5.835 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -5.761 15.470 7.375 1.00 0.00 O ATOM 0 H GLU A 114 -1.646 14.413 4.137 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.909 17.051 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.221 15.120 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.968 16.686 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.429 15.303 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.237 14.207 5.852 1.00 0.00 H new ATOM 1369 N ASN A 115 0.195 16.625 4.470 1.00 0.00 N ATOM 1370 CA ASN A 115 1.479 17.266 4.701 1.00 0.00 C ATOM 1371 C ASN A 115 1.766 18.247 3.564 1.00 0.00 C ATOM 1372 O ASN A 115 0.861 18.625 2.822 1.00 0.00 O ATOM 1373 CB ASN A 115 2.610 16.236 4.736 1.00 0.00 C ATOM 1374 CG ASN A 115 3.345 16.273 6.076 1.00 0.00 C ATOM 1375 OD1 ASN A 115 2.661 15.737 7.083 1.00 0.00 O flip ATOM 1376 ND2 ASN A 115 4.460 16.755 6.190 1.00 0.00 N flip ATOM 0 H ASN A 115 0.244 15.743 3.960 1.00 0.00 H new ATOM 0 HA ASN A 115 1.432 17.781 5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.203 15.239 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.312 16.435 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 115 4.930 17.151 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.922 16.762 7.099 1.00 0.00 H new ATOM 1382 N ILE A 116 3.030 18.633 3.462 1.00 0.00 N ATOM 1383 CA ILE A 116 3.447 19.563 2.427 1.00 0.00 C ATOM 1384 C ILE A 116 4.348 18.835 1.427 1.00 0.00 C ATOM 1385 O ILE A 116 4.206 19.009 0.218 1.00 0.00 O ATOM 1386 CB ILE A 116 4.094 20.801 3.049 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.915 22.025 2.149 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.566 20.544 3.381 1.00 0.00 C ATOM 1389 CD1 ILE A 116 5.024 22.099 1.096 1.00 0.00 C ATOM 0 H ILE A 116 3.778 18.318 4.079 1.00 0.00 H new ATOM 0 HA ILE A 116 2.583 19.928 1.872 1.00 0.00 H new ATOM 0 HB ILE A 116 3.585 21.015 3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.944 21.980 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.923 22.931 2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.001 21.441 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.641 19.719 4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.106 20.290 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.873 22.978 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.992 22.169 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.997 21.203 0.476 1.00 0.00 H new ATOM 1400 N ALA A 117 5.255 18.035 1.969 1.00 0.00 N ATOM 1401 CA ALA A 117 6.179 17.281 1.139 1.00 0.00 C ATOM 1402 C ALA A 117 5.518 15.969 0.711 1.00 0.00 C ATOM 1403 O ALA A 117 6.128 15.161 0.010 1.00 0.00 O ATOM 1404 CB ALA A 117 7.484 17.054 1.904 1.00 0.00 C ATOM 0 H ALA A 117 5.369 17.893 2.973 1.00 0.00 H new ATOM 0 HA ALA A 117 6.424 17.837 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.177 16.488 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.928 18.016 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.278 16.496 2.817 1.00 0.00 H new ATOM 1410 N GLY A 118 4.280 15.795 1.150 1.00 0.00 N ATOM 1411 CA GLY A 118 3.530 14.596 0.820 1.00 0.00 C ATOM 1412 C GLY A 118 4.109 13.374 1.536 1.00 0.00 C ATOM 1413 O GLY A 118 4.191 12.292 0.957 1.00 0.00 O ATOM 0 H GLY A 118 3.778 16.465 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.485 14.727 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.551 14.435 -0.258 1.00 0.00 H new ATOM 1417 N ILE A 119 4.497 13.588 2.785 1.00 0.00 N ATOM 1418 CA ILE A 119 5.067 12.518 3.586 1.00 0.00 C ATOM 1419 C ILE A 119 4.218 12.321 4.844 1.00 0.00 C ATOM 1420 O ILE A 119 3.753 13.291 5.442 1.00 0.00 O ATOM 1421 CB ILE A 119 6.543 12.793 3.877 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.439 12.163 2.809 1.00 0.00 C ATOM 1423 CG2 ILE A 119 6.919 12.332 5.286 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.432 12.995 1.525 1.00 0.00 C ATOM 0 H ILE A 119 4.428 14.487 3.262 1.00 0.00 H new ATOM 0 HA ILE A 119 5.045 11.578 3.035 1.00 0.00 H new ATOM 0 HB ILE A 119 6.704 13.870 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.458 12.080 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.096 11.151 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.974 12.539 5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.313 12.867 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.738 11.261 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.077 12.524 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.416 13.055 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.799 13.999 1.740 1.00 0.00 H new ATOM 1435 N PRO A 120 4.037 11.027 5.219 1.00 0.00 N ATOM 1436 CA PRO A 120 3.253 10.691 6.395 1.00 0.00 C ATOM 1437 C PRO A 120 4.033 10.990 7.678 1.00 0.00 C ATOM 1438 O PRO A 120 5.262 10.970 7.679 1.00 0.00 O ATOM 1439 CB PRO A 120 2.915 9.218 6.235 1.00 0.00 C ATOM 1440 CG PRO A 120 3.906 8.670 5.221 1.00 0.00 C ATOM 1441 CD PRO A 120 4.573 9.853 4.536 1.00 0.00 C ATOM 0 HA PRO A 120 2.345 11.287 6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 120 2.999 8.693 7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.890 9.088 5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.650 8.045 5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.397 8.043 4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.658 9.803 4.627 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.343 9.875 3.471 1.00 0.00 H new ATOM 1446 N SER A 121 3.284 11.259 8.737 1.00 0.00 N ATOM 1447 CA SER A 121 3.889 11.562 10.023 1.00 0.00 C ATOM 1448 C SER A 121 4.700 10.361 10.516 1.00 0.00 C ATOM 1449 O SER A 121 5.537 10.496 11.407 1.00 0.00 O ATOM 1450 CB SER A 121 2.827 11.944 11.056 1.00 0.00 C ATOM 1451 OG SER A 121 2.013 10.834 11.421 1.00 0.00 O ATOM 0 H SER A 121 2.264 11.273 8.731 1.00 0.00 H new ATOM 0 HA SER A 121 4.555 12.415 9.894 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.314 12.344 11.945 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.198 12.738 10.653 1.00 0.00 H new ATOM 0 HG SER A 121 1.349 11.119 12.083 1.00 0.00 H new ATOM 1456 N ALA A 122 4.424 9.214 9.914 1.00 0.00 N ATOM 1457 CA ALA A 122 5.116 7.990 10.279 1.00 0.00 C ATOM 1458 C ALA A 122 6.617 8.170 10.045 1.00 0.00 C ATOM 1459 O ALA A 122 7.435 7.555 10.729 1.00 0.00 O ATOM 1460 CB ALA A 122 4.538 6.819 9.484 1.00 0.00 C ATOM 0 H ALA A 122 3.729 9.106 9.175 1.00 0.00 H new ATOM 0 HA ALA A 122 4.971 7.768 11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.058 5.901 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.476 6.716 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.667 7.004 8.418 1.00 0.00 H new ATOM 1466 N PHE A 123 6.936 9.016 9.077 1.00 0.00 N ATOM 1467 CA PHE A 123 8.324 9.285 8.744 1.00 0.00 C ATOM 1468 C PHE A 123 8.803 10.584 9.396 1.00 0.00 C ATOM 1469 O PHE A 123 9.950 10.679 9.829 1.00 0.00 O ATOM 1470 CB PHE A 123 8.399 9.433 7.223 1.00 0.00 C ATOM 1471 CG PHE A 123 7.808 8.251 6.452 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.631 7.055 7.075 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.461 8.396 5.146 1.00 0.00 C ATOM 1474 CE1 PHE A 123 7.084 5.957 6.360 1.00 0.00 C ATOM 1475 CE2 PHE A 123 6.913 7.299 4.431 1.00 0.00 C ATOM 1476 CZ PHE A 123 6.736 6.102 5.052 1.00 0.00 C ATOM 0 H PHE A 123 6.256 9.525 8.512 1.00 0.00 H new ATOM 0 HA PHE A 123 8.957 8.474 9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.875 10.343 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.442 9.559 6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 123 7.906 6.941 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.602 9.346 4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.944 5.007 6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.636 7.415 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.320 5.267 4.508 1.00 0.00 H new ATOM 1485 N LEU A 124 7.900 11.552 9.443 1.00 0.00 N ATOM 1486 CA LEU A 124 8.216 12.841 10.036 1.00 0.00 C ATOM 1487 C LEU A 124 8.733 12.631 11.459 1.00 0.00 C ATOM 1488 O LEU A 124 9.908 12.868 11.738 1.00 0.00 O ATOM 1489 CB LEU A 124 7.009 13.779 9.951 1.00 0.00 C ATOM 1490 CG LEU A 124 6.429 14.003 8.554 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.103 14.762 8.625 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.442 14.703 7.645 1.00 0.00 C ATOM 0 H LEU A 124 6.950 11.470 9.081 1.00 0.00 H new ATOM 0 HA LEU A 124 9.013 13.332 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.220 13.382 10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.297 14.747 10.362 1.00 0.00 H new ATOM 0 HG LEU A 124 6.219 13.029 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.713 14.908 7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.386 14.188 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.264 15.732 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.004 14.850 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.707 15.670 8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.338 14.088 7.557 1.00 0.00 H new ATOM 1503 N GLU A 125 7.831 12.190 12.323 1.00 0.00 N ATOM 1504 CA GLU A 125 8.183 11.945 13.712 1.00 0.00 C ATOM 1505 C GLU A 125 9.440 11.077 13.797 1.00 0.00 C ATOM 1506 O GLU A 125 10.439 11.481 14.390 1.00 0.00 O ATOM 1507 CB GLU A 125 7.019 11.299 14.467 1.00 0.00 C ATOM 1508 CG GLU A 125 7.317 11.213 15.965 1.00 0.00 C ATOM 1509 CD GLU A 125 6.271 10.358 16.684 1.00 0.00 C ATOM 1510 OE1 GLU A 125 5.953 9.277 16.144 1.00 0.00 O ATOM 1511 OE2 GLU A 125 5.814 10.806 17.757 1.00 0.00 O ATOM 0 H GLU A 125 6.857 11.996 12.089 1.00 0.00 H new ATOM 0 HA GLU A 125 8.394 12.903 14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.110 11.879 14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.834 10.300 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.308 10.786 16.118 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.331 12.215 16.395 1.00 0.00 H new