USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00359 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.973 USER MOD Single : A 15 SER OG : rot 110:sc= 0.0192 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 116:sc= 0.0595 USER MOD Single : A 25 SER OG : rot -39:sc= 1.1 USER MOD Single : A 26 SER OG : rot 72:sc= 0.00799 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.261 USER MOD Single : A 55 SER OG : rot -86:sc= 0.358 USER MOD Single : A 66 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.993 K(o=-0.99,f=-5.7!) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.233 F(o=-0.96,f=-0.23) USER MOD Single : A 80 MET CE :methyl -126:sc= -2.14 (180deg=-3.44) USER MOD Single : A 82 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.8) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.2) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.473 F(o=-3!,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 138 N SER A 12 -10.397 -7.422 1.447 1.00 0.55 N ATOM 139 CA SER A 12 -9.740 -8.084 2.565 1.00 0.45 C ATOM 140 C SER A 12 -8.418 -7.407 2.909 1.00 0.39 C ATOM 141 O SER A 12 -7.795 -6.758 2.062 1.00 0.38 O ATOM 142 CB SER A 12 -9.499 -9.559 2.239 1.00 0.51 C ATOM 143 OG SER A 12 -8.892 -10.230 3.330 1.00 0.90 O ATOM 0 HA SER A 12 -10.398 -8.009 3.431 1.00 0.45 H new ATOM 0 HB2 SER A 12 -10.446 -10.040 1.994 1.00 0.51 H new ATOM 0 HB3 SER A 12 -8.862 -9.641 1.358 1.00 0.51 H new ATOM 0 HG SER A 12 -8.750 -11.171 3.097 1.00 0.90 H new ATOM 149 N LEU A 13 -8.002 -7.564 4.163 1.00 0.41 N ATOM 150 CA LEU A 13 -6.753 -6.987 4.644 1.00 0.40 C ATOM 151 C LEU A 13 -5.626 -8.008 4.538 1.00 0.45 C ATOM 152 O LEU A 13 -5.522 -8.914 5.365 1.00 0.68 O ATOM 153 CB LEU A 13 -6.899 -6.537 6.101 1.00 0.56 C ATOM 154 CG LEU A 13 -8.118 -5.661 6.396 1.00 0.63 C ATOM 155 CD1 LEU A 13 -8.315 -5.512 7.897 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.962 -4.298 5.743 1.00 0.79 C ATOM 0 H LEU A 13 -8.517 -8.091 4.868 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.514 -6.122 4.026 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.947 -7.423 6.734 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -6.001 -5.989 6.386 1.00 0.56 H new ATOM 0 HG LEU A 13 -9.001 -6.145 5.979 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -9.186 -4.886 8.089 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -8.469 -6.495 8.343 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -7.431 -5.049 8.336 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.838 -3.687 5.962 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -7.070 -3.808 6.133 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.866 -4.420 4.664 1.00 0.79 H new ATOM 168 N TYR A 14 -4.786 -7.861 3.521 1.00 0.36 N ATOM 169 CA TYR A 14 -3.677 -8.785 3.318 1.00 0.50 C ATOM 170 C TYR A 14 -2.346 -8.041 3.279 1.00 0.31 C ATOM 171 O TYR A 14 -2.285 -6.875 2.889 1.00 0.37 O ATOM 172 CB TYR A 14 -3.884 -9.587 2.031 1.00 0.80 C ATOM 173 CG TYR A 14 -3.860 -8.753 0.769 1.00 0.68 C ATOM 174 CD1 TYR A 14 -4.982 -8.040 0.354 1.00 0.71 C ATOM 175 CD2 TYR A 14 -2.715 -8.687 -0.012 1.00 1.20 C ATOM 176 CE1 TYR A 14 -4.956 -7.289 -0.804 1.00 1.34 C ATOM 177 CE2 TYR A 14 -2.682 -7.936 -1.169 1.00 1.90 C ATOM 178 CZ TYR A 14 -3.804 -7.239 -1.562 1.00 1.98 C ATOM 179 OH TYR A 14 -3.776 -6.492 -2.716 1.00 2.73 O ATOM 0 H TYR A 14 -4.850 -7.116 2.828 1.00 0.36 H new ATOM 0 HA TYR A 14 -3.650 -9.477 4.160 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -3.109 -10.350 1.963 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -4.840 -10.108 2.091 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -5.885 -8.075 0.946 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -1.834 -9.233 0.291 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -5.834 -6.743 -1.116 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -1.781 -7.895 -1.764 1.00 1.90 H new ATOM 0 HH TYR A 14 -2.891 -6.563 -3.130 1.00 2.73 H new ATOM 189 N SER A 15 -1.278 -8.722 3.688 1.00 0.43 N ATOM 190 CA SER A 15 0.050 -8.118 3.709 1.00 0.38 C ATOM 191 C SER A 15 1.039 -8.914 2.862 1.00 0.33 C ATOM 192 O SER A 15 0.808 -10.081 2.549 1.00 0.41 O ATOM 193 CB SER A 15 0.558 -8.018 5.148 1.00 0.59 C ATOM 194 OG SER A 15 0.642 -9.300 5.750 1.00 1.19 O ATOM 0 H SER A 15 -1.307 -9.690 4.008 1.00 0.43 H new ATOM 0 HA SER A 15 -0.030 -7.118 3.282 1.00 0.38 H new ATOM 0 HB2 SER A 15 1.539 -7.543 5.158 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.110 -7.383 5.730 1.00 0.59 H new ATOM 0 HG SER A 15 1.584 -9.543 5.871 1.00 1.19 H new ATOM 200 N VAL A 16 2.144 -8.267 2.498 1.00 0.32 N ATOM 201 CA VAL A 16 3.179 -8.903 1.690 1.00 0.33 C ATOM 202 C VAL A 16 4.558 -8.680 2.307 1.00 0.31 C ATOM 203 O VAL A 16 4.798 -7.662 2.959 1.00 0.44 O ATOM 204 CB VAL A 16 3.177 -8.364 0.245 1.00 0.44 C ATOM 205 CG1 VAL A 16 4.057 -9.223 -0.648 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.758 -8.298 -0.301 1.00 0.56 C ATOM 0 H VAL A 16 2.345 -7.300 2.751 1.00 0.32 H new ATOM 0 HA VAL A 16 2.959 -9.970 1.666 1.00 0.33 H new ATOM 0 HB VAL A 16 3.585 -7.353 0.256 1.00 0.44 H new ATOM 0 HG11 VAL A 16 4.042 -8.826 -1.663 1.00 0.53 H new ATOM 0 HG12 VAL A 16 5.079 -9.213 -0.269 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.682 -10.246 -0.653 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.778 -7.915 -1.321 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.320 -9.296 -0.296 1.00 0.56 H new ATOM 0 HG23 VAL A 16 1.158 -7.635 0.323 1.00 0.56 H new ATOM 216 N GLU A 17 5.462 -9.633 2.097 1.00 0.33 N ATOM 217 CA GLU A 17 6.813 -9.542 2.644 1.00 0.34 C ATOM 218 C GLU A 17 7.826 -9.148 1.572 1.00 0.32 C ATOM 219 O GLU A 17 8.130 -9.933 0.674 1.00 0.38 O ATOM 220 CB GLU A 17 7.217 -10.877 3.271 1.00 0.45 C ATOM 221 CG GLU A 17 6.260 -11.356 4.351 1.00 0.71 C ATOM 222 CD GLU A 17 6.169 -10.392 5.516 1.00 1.18 C ATOM 223 OE1 GLU A 17 7.014 -10.486 6.432 1.00 1.74 O ATOM 224 OE2 GLU A 17 5.253 -9.543 5.515 1.00 1.42 O ATOM 0 H GLU A 17 5.284 -10.477 1.552 1.00 0.33 H new ATOM 0 HA GLU A 17 6.810 -8.765 3.409 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.276 -11.633 2.488 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.215 -10.781 3.698 1.00 0.45 H new ATOM 0 HG2 GLU A 17 5.269 -11.493 3.919 1.00 0.71 H new ATOM 0 HG3 GLU A 17 6.586 -12.330 4.715 1.00 0.71 H new ATOM 231 N LEU A 18 8.346 -7.928 1.676 1.00 0.31 N ATOM 232 CA LEU A 18 9.333 -7.427 0.723 1.00 0.34 C ATOM 233 C LEU A 18 10.577 -6.922 1.448 1.00 0.38 C ATOM 234 O LEU A 18 10.489 -6.054 2.316 1.00 0.68 O ATOM 235 CB LEU A 18 8.739 -6.299 -0.130 1.00 0.40 C ATOM 236 CG LEU A 18 8.179 -6.722 -1.493 1.00 0.46 C ATOM 237 CD1 LEU A 18 9.262 -7.363 -2.348 1.00 0.81 C ATOM 238 CD2 LEU A 18 7.003 -7.670 -1.322 1.00 0.71 C ATOM 0 H LEU A 18 8.100 -7.266 2.412 1.00 0.31 H new ATOM 0 HA LEU A 18 9.616 -8.253 0.070 1.00 0.34 H new ATOM 0 HB2 LEU A 18 7.941 -5.821 0.438 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.510 -5.546 -0.292 1.00 0.40 H new ATOM 0 HG LEU A 18 7.826 -5.827 -2.005 1.00 0.46 H new ATOM 0 HD11 LEU A 18 8.841 -7.655 -3.310 1.00 0.81 H new ATOM 0 HD12 LEU A 18 10.070 -6.649 -2.507 1.00 0.81 H new ATOM 0 HD13 LEU A 18 9.652 -8.245 -1.840 1.00 0.81 H new ATOM 0 HD21 LEU A 18 6.622 -7.957 -2.302 1.00 0.71 H new ATOM 0 HD22 LEU A 18 7.329 -8.560 -0.784 1.00 0.71 H new ATOM 0 HD23 LEU A 18 6.214 -7.173 -0.757 1.00 0.71 H new ATOM 250 N PHE A 19 11.733 -7.470 1.086 1.00 0.41 N ATOM 251 CA PHE A 19 12.993 -7.070 1.705 1.00 0.43 C ATOM 252 C PHE A 19 13.876 -6.335 0.705 1.00 0.49 C ATOM 253 O PHE A 19 13.907 -6.681 -0.477 1.00 0.59 O ATOM 254 CB PHE A 19 13.732 -8.295 2.251 1.00 0.48 C ATOM 255 CG PHE A 19 14.219 -9.235 1.184 1.00 0.82 C ATOM 256 CD1 PHE A 19 13.354 -10.140 0.590 1.00 0.74 C ATOM 257 CD2 PHE A 19 15.543 -9.213 0.778 1.00 1.50 C ATOM 258 CE1 PHE A 19 13.801 -11.004 -0.391 1.00 1.25 C ATOM 259 CE2 PHE A 19 15.997 -10.073 -0.203 1.00 2.08 C ATOM 260 CZ PHE A 19 15.124 -10.971 -0.787 1.00 1.94 C ATOM 0 H PHE A 19 11.824 -8.190 0.369 1.00 0.41 H new ATOM 0 HA PHE A 19 12.766 -6.396 2.531 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.584 -7.960 2.843 1.00 0.48 H new ATOM 0 HB3 PHE A 19 13.069 -8.837 2.925 1.00 0.48 H new ATOM 0 HD1 PHE A 19 12.319 -10.170 0.897 1.00 0.74 H new ATOM 0 HD2 PHE A 19 16.229 -8.515 1.234 1.00 1.50 H new ATOM 0 HE1 PHE A 19 13.117 -11.704 -0.848 1.00 1.25 H new ATOM 0 HE2 PHE A 19 17.031 -10.044 -0.513 1.00 2.08 H new ATOM 0 HZ PHE A 19 15.476 -11.647 -1.553 1.00 1.94 H new ATOM 270 N ARG A 20 14.592 -5.317 1.178 1.00 0.52 N ATOM 271 CA ARG A 20 15.474 -4.552 0.303 1.00 0.66 C ATOM 272 C ARG A 20 16.892 -4.505 0.865 1.00 0.68 C ATOM 273 O ARG A 20 17.108 -4.756 2.050 1.00 0.83 O ATOM 274 CB ARG A 20 14.935 -3.132 0.099 1.00 0.73 C ATOM 275 CG ARG A 20 15.656 -2.363 -0.998 1.00 0.99 C ATOM 276 CD ARG A 20 14.947 -1.060 -1.329 1.00 1.19 C ATOM 277 NE ARG A 20 14.792 -0.209 -0.155 1.00 1.60 N ATOM 278 CZ ARG A 20 14.253 1.006 -0.187 1.00 2.26 C ATOM 279 NH1 ARG A 20 13.813 1.511 -1.332 1.00 2.52 N ATOM 280 NH2 ARG A 20 14.154 1.716 0.926 1.00 3.06 N ATOM 0 H ARG A 20 14.579 -5.007 2.150 1.00 0.52 H new ATOM 0 HA ARG A 20 15.505 -5.054 -0.664 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.874 -3.186 -0.143 1.00 0.73 H new ATOM 0 HB3 ARG A 20 15.021 -2.581 1.035 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.678 -2.152 -0.683 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.720 -2.981 -1.894 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.511 -0.525 -2.093 1.00 1.19 H new ATOM 0 HD3 ARG A 20 13.966 -1.278 -1.751 1.00 1.19 H new ATOM 0 HE ARG A 20 15.116 -0.567 0.743 1.00 1.60 H new ATOM 0 HH11 ARG A 20 13.888 0.967 -2.192 1.00 2.52 H new ATOM 0 HH12 ARG A 20 13.400 2.443 -1.353 1.00 2.52 H new ATOM 0 HH21 ARG A 20 14.491 1.331 1.808 1.00 3.06 H new ATOM 0 HH22 ARG A 20 13.740 2.648 0.901 1.00 3.06 H new ATOM 294 N GLU A 21 17.855 -4.194 0.001 1.00 0.82 N ATOM 295 CA GLU A 21 19.255 -4.116 0.404 1.00 0.93 C ATOM 296 C GLU A 21 20.103 -3.465 -0.683 1.00 1.16 C ATOM 297 O GLU A 21 21.079 -2.774 -0.393 1.00 1.57 O ATOM 298 CB GLU A 21 19.797 -5.509 0.726 1.00 1.09 C ATOM 299 CG GLU A 21 19.507 -6.541 -0.353 1.00 1.62 C ATOM 300 CD GLU A 21 20.096 -7.900 -0.033 1.00 2.00 C ATOM 301 OE1 GLU A 21 19.564 -8.581 0.869 1.00 2.58 O ATOM 302 OE2 GLU A 21 21.091 -8.285 -0.685 1.00 2.21 O ATOM 0 H GLU A 21 17.690 -3.992 -0.985 1.00 0.82 H new ATOM 0 HA GLU A 21 19.311 -3.498 1.300 1.00 0.93 H new ATOM 0 HB2 GLU A 21 20.875 -5.445 0.875 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.365 -5.849 1.667 1.00 1.09 H new ATOM 0 HG2 GLU A 21 18.428 -6.637 -0.478 1.00 1.62 H new ATOM 0 HG3 GLU A 21 19.908 -6.190 -1.304 1.00 1.62 H new ATOM 309 N LYS A 22 19.721 -3.694 -1.932 1.00 1.11 N ATOM 310 CA LYS A 22 20.440 -3.132 -3.070 1.00 1.40 C ATOM 311 C LYS A 22 20.463 -1.607 -2.997 1.00 1.31 C ATOM 312 O LYS A 22 19.656 -0.998 -2.292 1.00 1.38 O ATOM 313 CB LYS A 22 19.790 -3.582 -4.381 1.00 1.65 C ATOM 314 CG LYS A 22 19.816 -5.088 -4.591 1.00 2.00 C ATOM 315 CD LYS A 22 21.232 -5.605 -4.808 1.00 2.54 C ATOM 316 CE LYS A 22 21.800 -5.146 -6.141 1.00 3.05 C ATOM 317 NZ LYS A 22 23.157 -5.706 -6.391 1.00 3.72 N ATOM 0 H LYS A 22 18.915 -4.266 -2.184 1.00 1.11 H new ATOM 0 HA LYS A 22 21.467 -3.496 -3.038 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.755 -3.239 -4.400 1.00 1.65 H new ATOM 0 HB3 LYS A 22 20.301 -3.099 -5.214 1.00 1.65 H new ATOM 0 HG2 LYS A 22 19.377 -5.583 -3.725 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.199 -5.346 -5.452 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.875 -5.257 -3.999 1.00 2.54 H new ATOM 0 HD3 LYS A 22 21.232 -6.694 -4.768 1.00 2.54 H new ATOM 0 HE2 LYS A 22 21.129 -5.449 -6.945 1.00 3.05 H new ATOM 0 HE3 LYS A 22 21.848 -4.057 -6.159 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 23.508 -5.369 -7.310 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 23.804 -5.396 -5.638 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 23.108 -6.745 -6.400 1.00 3.72 H new ATOM 331 N ASP A 23 21.392 -0.997 -3.727 1.00 1.46 N ATOM 332 CA ASP A 23 21.523 0.455 -3.744 1.00 1.51 C ATOM 333 C ASP A 23 20.570 1.080 -4.759 1.00 1.31 C ATOM 334 O ASP A 23 20.973 1.910 -5.575 1.00 1.58 O ATOM 335 CB ASP A 23 22.967 0.852 -4.062 1.00 1.91 C ATOM 336 CG ASP A 23 23.468 0.231 -5.352 1.00 2.29 C ATOM 337 OD1 ASP A 23 24.026 -0.885 -5.298 1.00 2.58 O ATOM 338 OD2 ASP A 23 23.301 0.862 -6.417 1.00 2.87 O ATOM 0 H ASP A 23 22.066 -1.487 -4.315 1.00 1.46 H new ATOM 0 HA ASP A 23 21.260 0.831 -2.755 1.00 1.51 H new ATOM 0 HB2 ASP A 23 23.035 1.937 -4.135 1.00 1.91 H new ATOM 0 HB3 ASP A 23 23.614 0.546 -3.240 1.00 1.91 H new ATOM 343 N THR A 24 19.304 0.678 -4.701 1.00 1.02 N ATOM 344 CA THR A 24 18.294 1.198 -5.615 1.00 0.98 C ATOM 345 C THR A 24 17.471 2.298 -4.957 1.00 1.01 C ATOM 346 O THR A 24 16.902 3.154 -5.635 1.00 1.16 O ATOM 347 CB THR A 24 17.344 0.085 -6.099 1.00 1.17 C ATOM 348 OG1 THR A 24 16.664 -0.500 -4.982 1.00 1.38 O ATOM 349 CG2 THR A 24 18.110 -0.992 -6.852 1.00 1.19 C ATOM 0 H THR A 24 18.954 -0.006 -4.031 1.00 1.02 H new ATOM 0 HA THR A 24 18.828 1.608 -6.472 1.00 0.98 H new ATOM 0 HB THR A 24 16.615 0.531 -6.776 1.00 1.17 H new ATOM 0 HG1 THR A 24 15.703 -0.323 -5.055 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.418 -1.766 -7.183 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.602 -0.550 -7.718 1.00 1.19 H new ATOM 0 HG23 THR A 24 18.859 -1.433 -6.194 1.00 1.19 H new ATOM 357 N SER A 25 17.415 2.263 -3.626 1.00 1.05 N ATOM 358 CA SER A 25 16.668 3.254 -2.856 1.00 1.35 C ATOM 359 C SER A 25 15.204 3.305 -3.291 1.00 1.17 C ATOM 360 O SER A 25 14.498 4.272 -3.003 1.00 1.39 O ATOM 361 CB SER A 25 17.309 4.636 -3.009 1.00 1.79 C ATOM 362 OG SER A 25 16.632 5.605 -2.226 1.00 2.45 O ATOM 0 H SER A 25 17.881 1.555 -3.058 1.00 1.05 H new ATOM 0 HA SER A 25 16.700 2.958 -1.807 1.00 1.35 H new ATOM 0 HB2 SER A 25 18.356 4.589 -2.709 1.00 1.79 H new ATOM 0 HB3 SER A 25 17.291 4.934 -4.057 1.00 1.79 H new ATOM 0 HG SER A 25 15.667 5.436 -2.258 1.00 2.45 H new ATOM 368 N SER A 26 14.752 2.258 -3.975 1.00 0.84 N ATOM 369 CA SER A 26 13.372 2.194 -4.446 1.00 0.72 C ATOM 370 C SER A 26 12.804 0.785 -4.301 1.00 0.58 C ATOM 371 O SER A 26 13.530 -0.203 -4.410 1.00 0.69 O ATOM 372 CB SER A 26 13.293 2.638 -5.908 1.00 0.81 C ATOM 373 OG SER A 26 13.752 3.970 -6.062 1.00 1.40 O ATOM 0 H SER A 26 15.319 1.445 -4.215 1.00 0.84 H new ATOM 0 HA SER A 26 12.775 2.868 -3.831 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.892 1.970 -6.527 1.00 0.81 H new ATOM 0 HB3 SER A 26 12.264 2.562 -6.259 1.00 0.81 H new ATOM 0 HG SER A 26 14.726 3.995 -5.953 1.00 1.40 H new ATOM 379 N LEU A 27 11.500 0.705 -4.054 1.00 0.42 N ATOM 380 CA LEU A 27 10.823 -0.580 -3.894 1.00 0.32 C ATOM 381 C LEU A 27 9.840 -0.821 -5.035 1.00 0.29 C ATOM 382 O LEU A 27 9.499 -1.964 -5.342 1.00 0.41 O ATOM 383 CB LEU A 27 10.082 -0.630 -2.555 1.00 0.35 C ATOM 384 CG LEU A 27 10.973 -0.773 -1.320 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.186 -0.460 -0.057 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.559 -2.174 -1.245 1.00 0.43 C ATOM 0 H LEU A 27 10.889 1.516 -3.960 1.00 0.42 H new ATOM 0 HA LEU A 27 11.580 -1.364 -3.913 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.490 0.279 -2.452 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.382 -1.465 -2.577 1.00 0.35 H new ATOM 0 HG LEU A 27 11.793 -0.059 -1.403 1.00 0.38 H new ATOM 0 HD11 LEU A 27 10.835 -0.567 0.812 1.00 0.45 H new ATOM 0 HD12 LEU A 27 9.811 0.562 -0.106 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.347 -1.151 0.030 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.190 -2.258 -0.360 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.751 -2.903 -1.185 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.156 -2.367 -2.136 1.00 0.43 H new ATOM 398 N GLY A 28 9.392 0.262 -5.660 1.00 0.29 N ATOM 399 CA GLY A 28 8.449 0.150 -6.758 1.00 0.31 C ATOM 400 C GLY A 28 7.074 0.671 -6.393 1.00 0.29 C ATOM 401 O GLY A 28 6.296 1.054 -7.266 1.00 0.52 O ATOM 0 H GLY A 28 9.665 1.216 -5.426 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.828 0.704 -7.617 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.370 -0.894 -7.061 1.00 0.31 H new ATOM 405 N ILE A 29 6.775 0.683 -5.098 1.00 0.35 N ATOM 406 CA ILE A 29 5.487 1.163 -4.615 1.00 0.32 C ATOM 407 C ILE A 29 5.295 2.636 -4.958 1.00 0.30 C ATOM 408 O ILE A 29 5.949 3.507 -4.385 1.00 0.35 O ATOM 409 CB ILE A 29 5.352 0.972 -3.091 1.00 0.37 C ATOM 410 CG1 ILE A 29 5.539 -0.504 -2.727 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.000 1.477 -2.606 1.00 0.36 C ATOM 412 CD1 ILE A 29 5.599 -0.761 -1.237 1.00 0.84 C ATOM 0 H ILE A 29 7.408 0.365 -4.364 1.00 0.35 H new ATOM 0 HA ILE A 29 4.716 0.573 -5.111 1.00 0.32 H new ATOM 0 HB ILE A 29 6.129 1.554 -2.596 1.00 0.37 H new ATOM 0 HG12 ILE A 29 4.718 -1.081 -3.153 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.458 -0.869 -3.187 1.00 0.46 H new ATOM 0 HG21 ILE A 29 3.923 1.334 -1.528 1.00 0.36 H new ATOM 0 HG22 ILE A 29 3.903 2.537 -2.839 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.205 0.922 -3.103 1.00 0.36 H new ATOM 0 HD11 ILE A 29 5.733 -1.828 -1.057 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.437 -0.213 -0.807 1.00 0.84 H new ATOM 0 HD13 ILE A 29 4.671 -0.428 -0.773 1.00 0.84 H new ATOM 424 N SER A 30 4.396 2.906 -5.900 1.00 0.27 N ATOM 425 CA SER A 30 4.123 4.273 -6.324 1.00 0.29 C ATOM 426 C SER A 30 2.727 4.707 -5.891 1.00 0.28 C ATOM 427 O SER A 30 1.730 4.365 -6.529 1.00 0.35 O ATOM 428 CB SER A 30 4.269 4.397 -7.842 1.00 0.33 C ATOM 429 OG SER A 30 3.995 5.718 -8.276 1.00 0.95 O ATOM 0 H SER A 30 3.845 2.196 -6.383 1.00 0.27 H new ATOM 0 HA SER A 30 4.849 4.930 -5.845 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.280 4.117 -8.137 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.589 3.701 -8.334 1.00 0.33 H new ATOM 0 HG SER A 30 4.097 5.770 -9.249 1.00 0.95 H new ATOM 435 N ILE A 31 2.668 5.462 -4.797 1.00 0.25 N ATOM 436 CA ILE A 31 1.403 5.949 -4.265 1.00 0.27 C ATOM 437 C ILE A 31 0.977 7.244 -4.949 1.00 0.31 C ATOM 438 O ILE A 31 1.731 7.819 -5.734 1.00 0.41 O ATOM 439 CB ILE A 31 1.494 6.187 -2.744 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.671 7.113 -2.425 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.640 4.861 -2.012 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.697 7.593 -0.989 1.00 0.39 C ATOM 0 H ILE A 31 3.487 5.750 -4.261 1.00 0.25 H new ATOM 0 HA ILE A 31 0.657 5.179 -4.463 1.00 0.27 H new ATOM 0 HB ILE A 31 0.576 6.667 -2.406 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.602 6.589 -2.641 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.631 7.978 -3.087 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.703 5.043 -0.939 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.775 4.232 -2.223 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.546 4.357 -2.349 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.558 8.244 -0.838 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.782 8.146 -0.773 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.769 6.735 -0.320 1.00 0.39 H new ATOM 454 N SER A 32 -0.235 7.695 -4.645 1.00 0.37 N ATOM 455 CA SER A 32 -0.766 8.922 -5.229 1.00 0.44 C ATOM 456 C SER A 32 -1.528 9.733 -4.187 1.00 0.55 C ATOM 457 O SER A 32 -2.361 9.198 -3.456 1.00 0.59 O ATOM 458 CB SER A 32 -1.685 8.595 -6.408 1.00 0.48 C ATOM 459 OG SER A 32 -2.195 9.777 -7.002 1.00 1.32 O ATOM 0 H SER A 32 -0.869 7.229 -3.997 1.00 0.37 H new ATOM 0 HA SER A 32 0.074 9.518 -5.586 1.00 0.44 H new ATOM 0 HB2 SER A 32 -1.135 8.018 -7.152 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.511 7.970 -6.067 1.00 0.48 H new ATOM 0 HG SER A 32 -2.778 9.540 -7.754 1.00 1.32 H new ATOM 465 N GLY A 33 -1.232 11.028 -4.125 1.00 0.70 N ATOM 466 CA GLY A 33 -1.894 11.897 -3.169 1.00 0.87 C ATOM 467 C GLY A 33 -3.377 12.045 -3.448 1.00 0.88 C ATOM 468 O GLY A 33 -3.821 11.873 -4.584 1.00 0.95 O ATOM 0 H GLY A 33 -0.545 11.491 -4.720 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -1.755 11.499 -2.164 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -1.424 12.880 -3.190 1.00 0.87 H new ATOM 634 N ILE A 46 -4.162 7.792 1.272 1.00 0.46 N ATOM 635 CA ILE A 46 -3.174 7.443 0.260 1.00 0.39 C ATOM 636 C ILE A 46 -3.518 6.110 -0.403 1.00 0.39 C ATOM 637 O ILE A 46 -4.264 5.306 0.157 1.00 0.57 O ATOM 638 CB ILE A 46 -1.755 7.372 0.866 1.00 0.38 C ATOM 639 CG1 ILE A 46 -0.706 7.719 -0.191 1.00 0.65 C ATOM 640 CG2 ILE A 46 -1.480 5.994 1.452 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.690 9.186 -0.567 1.00 0.55 C ATOM 0 HA ILE A 46 -3.192 8.228 -0.496 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.695 8.102 1.673 1.00 0.38 H new ATOM 0 HG12 ILE A 46 0.279 7.436 0.180 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.893 7.125 -1.086 1.00 0.65 H new ATOM 0 HG21 ILE A 46 -0.474 5.971 1.872 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -2.206 5.781 2.237 1.00 0.43 H new ATOM 0 HG23 ILE A 46 -1.563 5.242 0.667 1.00 0.43 H new ATOM 0 HD11 ILE A 46 0.078 9.360 -1.321 1.00 0.55 H new ATOM 0 HD12 ILE A 46 -1.663 9.469 -0.968 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -0.473 9.786 0.317 1.00 0.55 H new ATOM 653 N TYR A 47 -2.973 5.881 -1.593 1.00 0.30 N ATOM 654 CA TYR A 47 -3.231 4.644 -2.323 1.00 0.30 C ATOM 655 C TYR A 47 -2.206 4.430 -3.432 1.00 0.26 C ATOM 656 O TYR A 47 -1.821 5.373 -4.124 1.00 0.29 O ATOM 657 CB TYR A 47 -4.643 4.667 -2.913 1.00 0.36 C ATOM 658 CG TYR A 47 -4.863 5.772 -3.924 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.203 7.055 -3.516 1.00 0.43 C ATOM 660 CD2 TYR A 47 -4.731 5.530 -5.285 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.403 8.066 -4.437 1.00 0.51 C ATOM 662 CE2 TYR A 47 -4.929 6.535 -6.212 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.266 7.802 -5.782 1.00 0.58 C ATOM 664 OH TYR A 47 -5.463 8.807 -6.701 1.00 0.70 O ATOM 0 H TYR A 47 -2.352 6.533 -2.072 1.00 0.30 H new ATOM 0 HA TYR A 47 -3.146 3.815 -1.620 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.844 3.707 -3.388 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.364 4.779 -2.103 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.313 7.266 -2.463 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.469 4.539 -5.625 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -5.666 9.059 -4.103 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -4.821 6.330 -7.267 1.00 0.57 H new ATOM 0 HH TYR A 47 -5.327 8.455 -7.605 1.00 0.70 H new ATOM 674 N VAL A 48 -1.766 3.184 -3.595 1.00 0.26 N ATOM 675 CA VAL A 48 -0.794 2.845 -4.627 1.00 0.25 C ATOM 676 C VAL A 48 -1.428 2.916 -6.010 1.00 0.28 C ATOM 677 O VAL A 48 -2.209 2.043 -6.392 1.00 0.39 O ATOM 678 CB VAL A 48 -0.206 1.435 -4.414 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.719 1.053 -5.560 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.530 1.361 -3.087 1.00 0.29 C ATOM 0 H VAL A 48 -2.068 2.394 -3.025 1.00 0.26 H new ATOM 0 HA VAL A 48 0.013 3.575 -4.556 1.00 0.25 H new ATOM 0 HB VAL A 48 -1.031 0.723 -4.393 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.121 0.055 -5.386 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.161 1.062 -6.496 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.539 1.769 -5.620 1.00 0.29 H new ATOM 0 HG21 VAL A 48 0.938 0.359 -2.953 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.342 2.088 -3.080 1.00 0.29 H new ATOM 0 HG23 VAL A 48 -0.162 1.582 -2.274 1.00 0.29 H new ATOM 690 N LYS A 49 -1.087 3.962 -6.755 1.00 0.31 N ATOM 691 CA LYS A 49 -1.621 4.154 -8.097 1.00 0.38 C ATOM 692 C LYS A 49 -1.114 3.074 -9.047 1.00 0.32 C ATOM 693 O LYS A 49 -1.853 2.598 -9.910 1.00 0.37 O ATOM 694 CB LYS A 49 -1.239 5.539 -8.626 1.00 0.49 C ATOM 695 CG LYS A 49 -1.783 5.836 -10.015 1.00 0.61 C ATOM 696 CD LYS A 49 -1.366 7.216 -10.498 1.00 0.84 C ATOM 697 CE LYS A 49 0.127 7.284 -10.779 1.00 1.65 C ATOM 698 NZ LYS A 49 0.542 8.631 -11.257 1.00 2.40 N ATOM 0 H LYS A 49 -0.442 4.691 -6.451 1.00 0.31 H new ATOM 0 HA LYS A 49 -2.707 4.080 -8.043 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -1.605 6.296 -7.933 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -0.152 5.623 -8.646 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -1.425 5.082 -10.715 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -2.871 5.768 -10.002 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -1.919 7.468 -11.403 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -1.629 7.960 -9.746 1.00 0.84 H new ATOM 0 HE2 LYS A 49 0.679 7.035 -9.872 1.00 1.65 H new ATOM 0 HE3 LYS A 49 0.390 6.536 -11.528 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 1.566 8.635 -11.437 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 0.035 8.859 -12.136 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 0.315 9.342 -10.532 1.00 2.40 H new ATOM 712 N SER A 50 0.150 2.688 -8.884 1.00 0.28 N ATOM 713 CA SER A 50 0.747 1.663 -9.735 1.00 0.35 C ATOM 714 C SER A 50 2.087 1.190 -9.175 1.00 0.28 C ATOM 715 O SER A 50 2.577 1.716 -8.174 1.00 0.25 O ATOM 716 CB SER A 50 0.938 2.200 -11.155 1.00 0.49 C ATOM 717 OG SER A 50 1.464 1.202 -12.014 1.00 1.28 O ATOM 0 H SER A 50 0.777 3.068 -8.174 1.00 0.28 H new ATOM 0 HA SER A 50 0.067 0.811 -9.760 1.00 0.35 H new ATOM 0 HB2 SER A 50 -0.017 2.553 -11.545 1.00 0.49 H new ATOM 0 HB3 SER A 50 1.610 3.058 -11.135 1.00 0.49 H new ATOM 0 HG SER A 50 1.575 1.571 -12.915 1.00 1.28 H new ATOM 723 N LEU A 51 2.669 0.190 -9.831 1.00 0.32 N ATOM 724 CA LEU A 51 3.951 -0.363 -9.412 1.00 0.27 C ATOM 725 C LEU A 51 5.019 -0.110 -10.470 1.00 0.27 C ATOM 726 O LEU A 51 4.710 0.066 -11.648 1.00 0.42 O ATOM 727 CB LEU A 51 3.821 -1.865 -9.149 1.00 0.30 C ATOM 728 CG LEU A 51 2.787 -2.252 -8.089 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.629 -3.762 -8.024 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.186 -1.699 -6.727 1.00 0.32 C ATOM 0 H LEU A 51 2.270 -0.255 -10.658 1.00 0.32 H new ATOM 0 HA LEU A 51 4.252 0.134 -8.490 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.562 -2.361 -10.085 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.794 -2.250 -8.843 1.00 0.30 H new ATOM 0 HG LEU A 51 1.828 -1.817 -8.370 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.890 -4.018 -7.265 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.298 -4.135 -8.993 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.586 -4.217 -7.767 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.439 -1.984 -5.986 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.156 -2.105 -6.440 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.249 -0.612 -6.780 1.00 0.32 H new ATOM 742 N ILE A 52 6.277 -0.096 -10.041 1.00 0.24 N ATOM 743 CA ILE A 52 7.392 0.143 -10.948 1.00 0.24 C ATOM 744 C ILE A 52 8.059 -1.168 -11.370 1.00 0.23 C ATOM 745 O ILE A 52 8.736 -1.809 -10.567 1.00 0.28 O ATOM 746 CB ILE A 52 8.439 1.059 -10.297 1.00 0.27 C ATOM 747 CG1 ILE A 52 7.779 2.373 -9.878 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.596 1.312 -11.256 1.00 0.31 C ATOM 749 CD1 ILE A 52 8.695 3.298 -9.116 1.00 1.26 C ATOM 0 H ILE A 52 6.549 -0.248 -9.070 1.00 0.24 H new ATOM 0 HA ILE A 52 6.987 0.631 -11.834 1.00 0.24 H new ATOM 0 HB ILE A 52 8.842 0.571 -9.410 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.417 2.887 -10.768 1.00 0.36 H new ATOM 0 HG13 ILE A 52 6.908 2.151 -9.262 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.329 1.963 -10.779 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.067 0.364 -11.516 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.221 1.790 -12.161 1.00 0.31 H new ATOM 0 HD11 ILE A 52 8.156 4.208 -8.853 1.00 1.26 H new ATOM 0 HD12 ILE A 52 9.037 2.804 -8.207 1.00 1.26 H new ATOM 0 HD13 ILE A 52 9.555 3.551 -9.737 1.00 1.26 H new ATOM 761 N PRO A 53 7.878 -1.588 -12.639 1.00 0.31 N ATOM 762 CA PRO A 53 8.470 -2.831 -13.149 1.00 0.35 C ATOM 763 C PRO A 53 9.989 -2.843 -13.022 1.00 0.34 C ATOM 764 O PRO A 53 10.655 -1.853 -13.325 1.00 0.46 O ATOM 765 CB PRO A 53 8.059 -2.853 -14.625 1.00 0.43 C ATOM 766 CG PRO A 53 6.874 -1.956 -14.711 1.00 0.82 C ATOM 767 CD PRO A 53 7.088 -0.893 -13.672 1.00 0.47 C ATOM 0 HA PRO A 53 8.127 -3.700 -12.588 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.868 -2.500 -15.265 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.813 -3.864 -14.951 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.786 -1.518 -15.705 1.00 0.82 H new ATOM 0 HG3 PRO A 53 5.952 -2.507 -14.523 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.623 -0.034 -14.078 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.143 -0.522 -13.275 1.00 0.47 H new ATOM 775 N GLY A 54 10.530 -3.972 -12.574 1.00 0.39 N ATOM 776 CA GLY A 54 11.968 -4.094 -12.416 1.00 0.41 C ATOM 777 C GLY A 54 12.406 -4.003 -10.967 1.00 0.39 C ATOM 778 O GLY A 54 13.522 -4.392 -10.625 1.00 0.49 O ATOM 0 H GLY A 54 9.999 -4.804 -12.318 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.296 -5.047 -12.831 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.461 -3.310 -12.990 1.00 0.41 H new ATOM 782 N SER A 55 11.525 -3.490 -10.114 1.00 0.35 N ATOM 783 CA SER A 55 11.830 -3.348 -8.695 1.00 0.35 C ATOM 784 C SER A 55 11.455 -4.610 -7.923 1.00 0.32 C ATOM 785 O SER A 55 11.026 -5.603 -8.509 1.00 0.36 O ATOM 786 CB SER A 55 11.091 -2.144 -8.111 1.00 0.37 C ATOM 787 OG SER A 55 9.687 -2.329 -8.175 1.00 1.23 O ATOM 0 H SER A 55 10.595 -3.166 -10.380 1.00 0.35 H new ATOM 0 HA SER A 55 12.904 -3.192 -8.598 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.395 -1.994 -7.075 1.00 0.37 H new ATOM 0 HB3 SER A 55 11.368 -1.243 -8.658 1.00 0.37 H new ATOM 0 HG SER A 55 9.358 -2.034 -9.050 1.00 1.23 H new ATOM 793 N ALA A 56 11.616 -4.560 -6.605 1.00 0.35 N ATOM 794 CA ALA A 56 11.298 -5.699 -5.751 1.00 0.36 C ATOM 795 C ALA A 56 9.795 -5.953 -5.705 1.00 0.32 C ATOM 796 O ALA A 56 9.334 -7.059 -5.992 1.00 0.34 O ATOM 797 CB ALA A 56 11.837 -5.470 -4.348 1.00 0.42 C ATOM 0 H ALA A 56 11.965 -3.743 -6.105 1.00 0.35 H new ATOM 0 HA ALA A 56 11.775 -6.582 -6.175 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.593 -6.327 -3.720 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.919 -5.347 -4.390 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.386 -4.572 -3.927 1.00 0.42 H new ATOM 803 N ALA A 57 9.037 -4.921 -5.343 1.00 0.30 N ATOM 804 CA ALA A 57 7.584 -5.024 -5.253 1.00 0.30 C ATOM 805 C ALA A 57 6.979 -5.552 -6.550 1.00 0.30 C ATOM 806 O ALA A 57 6.006 -6.307 -6.530 1.00 0.35 O ATOM 807 CB ALA A 57 6.982 -3.671 -4.906 1.00 0.32 C ATOM 0 H ALA A 57 9.407 -4.001 -5.106 1.00 0.30 H new ATOM 0 HA ALA A 57 7.349 -5.735 -4.461 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.898 -3.761 -4.842 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.375 -3.333 -3.947 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.241 -2.948 -5.680 1.00 0.32 H new ATOM 813 N ALA A 58 7.560 -5.150 -7.676 1.00 0.31 N ATOM 814 CA ALA A 58 7.075 -5.582 -8.983 1.00 0.33 C ATOM 815 C ALA A 58 7.382 -7.056 -9.229 1.00 0.34 C ATOM 816 O ALA A 58 6.519 -7.812 -9.675 1.00 0.44 O ATOM 817 CB ALA A 58 7.685 -4.722 -10.081 1.00 0.37 C ATOM 0 H ALA A 58 8.366 -4.526 -7.710 1.00 0.31 H new ATOM 0 HA ALA A 58 5.992 -5.460 -8.998 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.315 -5.054 -11.051 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.406 -3.680 -9.924 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.771 -4.815 -10.055 1.00 0.37 H new ATOM 823 N LEU A 59 8.616 -7.459 -8.938 1.00 0.35 N ATOM 824 CA LEU A 59 9.030 -8.845 -9.124 1.00 0.39 C ATOM 825 C LEU A 59 8.280 -9.768 -8.169 1.00 0.42 C ATOM 826 O LEU A 59 8.203 -10.976 -8.391 1.00 0.57 O ATOM 827 CB LEU A 59 10.539 -8.987 -8.909 1.00 0.47 C ATOM 828 CG LEU A 59 11.416 -8.286 -9.949 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.879 -8.363 -9.546 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.209 -8.899 -11.326 1.00 0.61 C ATOM 0 H LEU A 59 9.345 -6.846 -8.573 1.00 0.35 H new ATOM 0 HA LEU A 59 8.790 -9.134 -10.147 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.788 -8.593 -7.923 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.790 -10.048 -8.901 1.00 0.47 H new ATOM 0 HG LEU A 59 11.124 -7.237 -9.995 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.490 -7.860 -10.296 1.00 0.66 H new ATOM 0 HD12 LEU A 59 13.016 -7.877 -8.580 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.182 -9.408 -9.473 1.00 0.66 H new ATOM 0 HD21 LEU A 59 11.841 -8.387 -12.051 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.473 -9.956 -11.297 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.164 -8.794 -11.618 1.00 0.61 H new ATOM 842 N ASP A 60 7.731 -9.189 -7.106 1.00 0.44 N ATOM 843 CA ASP A 60 6.986 -9.957 -6.115 1.00 0.52 C ATOM 844 C ASP A 60 5.772 -10.629 -6.750 1.00 0.61 C ATOM 845 O ASP A 60 5.616 -11.848 -6.675 1.00 0.79 O ATOM 846 CB ASP A 60 6.542 -9.050 -4.966 1.00 0.74 C ATOM 847 CG ASP A 60 5.776 -9.803 -3.897 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.416 -10.522 -3.102 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.535 -9.673 -3.855 1.00 1.86 O ATOM 0 H ASP A 60 7.788 -8.190 -6.909 1.00 0.44 H new ATOM 0 HA ASP A 60 7.643 -10.733 -5.721 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.418 -8.580 -4.518 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.917 -8.249 -5.360 1.00 0.74 H new ATOM 854 N GLY A 61 4.916 -9.827 -7.378 1.00 0.72 N ATOM 855 CA GLY A 61 3.733 -10.364 -8.027 1.00 1.06 C ATOM 856 C GLY A 61 2.489 -10.263 -7.167 1.00 0.83 C ATOM 857 O GLY A 61 1.447 -9.799 -7.629 1.00 0.94 O ATOM 0 H GLY A 61 5.021 -8.815 -7.449 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.565 -9.831 -8.963 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.908 -11.409 -8.282 1.00 1.06 H new ATOM 861 N ARG A 62 2.594 -10.697 -5.913 1.00 0.63 N ATOM 862 CA ARG A 62 1.463 -10.660 -4.991 1.00 0.59 C ATOM 863 C ARG A 62 0.900 -9.247 -4.866 1.00 0.52 C ATOM 864 O ARG A 62 -0.311 -9.061 -4.738 1.00 0.69 O ATOM 865 CB ARG A 62 1.875 -11.185 -3.614 1.00 0.67 C ATOM 866 CG ARG A 62 2.412 -12.606 -3.643 1.00 0.81 C ATOM 867 CD ARG A 62 2.723 -13.116 -2.245 1.00 1.05 C ATOM 868 NE ARG A 62 3.833 -12.391 -1.632 1.00 1.31 N ATOM 869 CZ ARG A 62 4.339 -12.686 -0.437 1.00 1.93 C ATOM 870 NH1 ARG A 62 3.829 -13.679 0.278 1.00 2.26 N ATOM 871 NH2 ARG A 62 5.355 -11.982 0.045 1.00 2.59 N ATOM 0 H ARG A 62 3.451 -11.078 -5.513 1.00 0.63 H new ATOM 0 HA ARG A 62 0.683 -11.304 -5.396 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.636 -10.526 -3.195 1.00 0.67 H new ATOM 0 HB3 ARG A 62 1.015 -11.144 -2.946 1.00 0.67 H new ATOM 0 HG2 ARG A 62 1.681 -13.262 -4.116 1.00 0.81 H new ATOM 0 HG3 ARG A 62 3.315 -12.642 -4.253 1.00 0.81 H new ATOM 0 HD2 ARG A 62 1.837 -13.019 -1.618 1.00 1.05 H new ATOM 0 HD3 ARG A 62 2.965 -14.178 -2.292 1.00 1.05 H new ATOM 0 HE ARG A 62 4.244 -11.614 -2.150 1.00 1.31 H new ATOM 0 HH11 ARG A 62 3.046 -14.221 -0.087 1.00 2.26 H new ATOM 0 HH12 ARG A 62 4.220 -13.902 1.193 1.00 2.26 H new ATOM 0 HH21 ARG A 62 5.748 -11.215 -0.500 1.00 2.59 H new ATOM 0 HH22 ARG A 62 5.743 -12.208 0.961 1.00 2.59 H new ATOM 885 N ILE A 63 1.782 -8.254 -4.903 1.00 0.48 N ATOM 886 CA ILE A 63 1.363 -6.862 -4.798 1.00 0.48 C ATOM 887 C ILE A 63 0.622 -6.425 -6.058 1.00 0.49 C ATOM 888 O ILE A 63 1.193 -6.393 -7.147 1.00 0.59 O ATOM 889 CB ILE A 63 2.566 -5.924 -4.565 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.357 -6.375 -3.335 1.00 0.66 C ATOM 891 CG2 ILE A 63 2.089 -4.487 -4.400 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.622 -5.577 -3.098 1.00 0.92 C ATOM 0 H ILE A 63 2.788 -8.387 -5.005 1.00 0.48 H new ATOM 0 HA ILE A 63 0.695 -6.792 -3.940 1.00 0.48 H new ATOM 0 HB ILE A 63 3.223 -5.971 -5.433 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.719 -6.297 -2.455 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.618 -7.427 -3.447 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.947 -3.835 -4.236 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.562 -4.173 -5.301 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.416 -4.423 -3.545 1.00 0.66 H new ATOM 0 HD11 ILE A 63 5.129 -5.954 -2.210 1.00 0.92 H new ATOM 0 HD12 ILE A 63 5.281 -5.675 -3.961 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.368 -4.527 -2.953 1.00 0.92 H new ATOM 904 N GLU A 64 -0.654 -6.089 -5.898 1.00 0.51 N ATOM 905 CA GLU A 64 -1.478 -5.660 -7.021 1.00 0.58 C ATOM 906 C GLU A 64 -1.658 -4.143 -7.013 1.00 0.56 C ATOM 907 O GLU A 64 -1.985 -3.560 -5.978 1.00 0.66 O ATOM 908 CB GLU A 64 -2.844 -6.349 -6.965 1.00 0.79 C ATOM 909 CG GLU A 64 -3.726 -6.052 -8.167 1.00 1.09 C ATOM 910 CD GLU A 64 -5.057 -6.776 -8.108 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.123 -7.934 -8.570 1.00 1.67 O ATOM 912 OE2 GLU A 64 -6.033 -6.184 -7.601 1.00 1.98 O ATOM 0 H GLU A 64 -1.139 -6.106 -5.001 1.00 0.51 H new ATOM 0 HA GLU A 64 -0.972 -5.943 -7.944 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.695 -7.426 -6.892 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.362 -6.036 -6.059 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -3.903 -4.978 -8.226 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.201 -6.339 -9.078 1.00 1.09 H new ATOM 919 N PRO A 65 -1.450 -3.476 -8.167 1.00 0.56 N ATOM 920 CA PRO A 65 -1.597 -2.021 -8.272 1.00 0.64 C ATOM 921 C PRO A 65 -3.015 -1.564 -7.944 1.00 0.72 C ATOM 922 O PRO A 65 -3.918 -2.386 -7.783 1.00 1.44 O ATOM 923 CB PRO A 65 -1.258 -1.718 -9.736 1.00 0.77 C ATOM 924 CG PRO A 65 -1.424 -3.016 -10.450 1.00 0.83 C ATOM 925 CD PRO A 65 -1.062 -4.080 -9.454 1.00 0.62 C ATOM 0 HA PRO A 65 -0.954 -1.497 -7.565 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -1.921 -0.956 -10.145 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -0.240 -1.341 -9.835 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -2.448 -3.141 -10.801 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -0.778 -3.065 -11.327 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -1.600 -5.009 -9.642 1.00 0.62 H new ATOM 0 HD3 PRO A 65 0.002 -4.316 -9.485 1.00 0.62 H new ATOM 933 N ASN A 66 -3.204 -0.250 -7.849 1.00 0.60 N ATOM 934 CA ASN A 66 -4.511 0.315 -7.529 1.00 0.59 C ATOM 935 C ASN A 66 -5.019 -0.231 -6.199 1.00 0.51 C ATOM 936 O ASN A 66 -6.135 -0.746 -6.113 1.00 0.73 O ATOM 937 CB ASN A 66 -5.518 0.010 -8.642 1.00 0.66 C ATOM 938 CG ASN A 66 -5.158 0.678 -9.953 1.00 1.34 C ATOM 939 OD1 ASN A 66 -3.984 0.887 -10.257 1.00 2.15 O ATOM 940 ND2 ASN A 66 -6.172 1.019 -10.739 1.00 2.01 N ATOM 0 H ASN A 66 -2.468 0.443 -7.989 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.402 1.396 -7.445 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -5.573 -1.068 -8.791 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -6.509 0.340 -8.331 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -5.993 1.473 -11.635 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -7.130 0.827 -10.447 1.00 2.01 H new ATOM 947 N ASP A 67 -4.192 -0.116 -5.165 1.00 0.36 N ATOM 948 CA ASP A 67 -4.553 -0.606 -3.839 1.00 0.34 C ATOM 949 C ASP A 67 -4.468 0.509 -2.802 1.00 0.30 C ATOM 950 O ASP A 67 -4.028 1.617 -3.103 1.00 0.38 O ATOM 951 CB ASP A 67 -3.638 -1.763 -3.436 1.00 0.41 C ATOM 952 CG ASP A 67 -2.183 -1.344 -3.351 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.753 -0.907 -2.262 1.00 1.46 O ATOM 954 OD2 ASP A 67 -1.474 -1.454 -4.373 1.00 2.02 O ATOM 0 H ASP A 67 -3.268 0.312 -5.219 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.583 -0.961 -3.879 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.957 -2.157 -2.471 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.739 -2.572 -4.159 1.00 0.41 H new ATOM 959 N LYS A 68 -4.891 0.206 -1.578 1.00 0.27 N ATOM 960 CA LYS A 68 -4.864 1.182 -0.495 1.00 0.28 C ATOM 961 C LYS A 68 -3.894 0.753 0.603 1.00 0.26 C ATOM 962 O LYS A 68 -3.978 -0.363 1.116 1.00 0.38 O ATOM 963 CB LYS A 68 -6.268 1.362 0.089 1.00 0.37 C ATOM 964 CG LYS A 68 -6.325 2.343 1.247 1.00 0.53 C ATOM 965 CD LYS A 68 -7.734 2.468 1.799 1.00 0.53 C ATOM 966 CE LYS A 68 -7.784 3.422 2.982 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.167 3.588 3.507 1.00 1.02 N ATOM 0 H LYS A 68 -5.257 -0.708 -1.312 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.521 2.133 -0.904 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -6.939 1.704 -0.699 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.639 0.394 0.426 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.651 2.014 2.038 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -5.975 3.320 0.915 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.403 2.823 1.015 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.095 1.486 2.106 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.137 3.049 3.776 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.391 4.393 2.681 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.156 4.246 4.312 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.780 3.968 2.758 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.533 2.666 3.818 1.00 1.02 H new ATOM 981 N ILE A 69 -2.977 1.647 0.960 1.00 0.24 N ATOM 982 CA ILE A 69 -1.990 1.361 1.996 1.00 0.21 C ATOM 983 C ILE A 69 -2.512 1.756 3.372 1.00 0.21 C ATOM 984 O ILE A 69 -3.157 2.793 3.528 1.00 0.29 O ATOM 985 CB ILE A 69 -0.663 2.100 1.726 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.122 1.738 0.338 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.361 1.771 2.804 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.198 0.267 0.170 1.00 0.28 C ATOM 0 H ILE A 69 -2.897 2.576 0.547 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.807 0.287 1.975 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.853 3.173 1.752 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.855 2.029 -0.414 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.779 2.320 0.147 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.291 2.301 2.597 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.023 2.078 3.777 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.550 0.697 2.811 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.575 0.089 -0.837 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.954 -0.026 0.898 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.705 -0.322 0.328 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.227 0.923 4.369 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.671 1.181 5.734 1.00 0.21 C ATOM 1002 C LEU A 70 -1.491 1.521 6.641 1.00 0.20 C ATOM 1003 O LEU A 70 -1.409 2.624 7.186 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.417 -0.036 6.285 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.670 -0.441 5.503 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.235 -1.746 6.042 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.718 0.659 5.567 1.00 0.38 C ATOM 0 H LEU A 70 -1.690 0.063 4.256 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.345 2.037 5.713 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.732 -0.883 6.306 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.702 0.169 7.317 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.391 -0.590 4.460 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.125 -2.019 5.475 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.488 -2.533 5.945 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.498 -1.622 7.093 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.601 0.353 5.006 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -5.993 0.840 6.606 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.312 1.574 5.135 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.577 0.569 6.801 1.00 0.20 N ATOM 1020 CA ARG A 71 0.587 0.774 7.654 1.00 0.25 C ATOM 1021 C ARG A 71 1.784 -0.045 7.178 1.00 0.18 C ATOM 1022 O ARG A 71 1.650 -1.216 6.819 1.00 0.26 O ATOM 1023 CB ARG A 71 0.249 0.407 9.100 1.00 0.38 C ATOM 1024 CG ARG A 71 -0.282 -1.009 9.258 1.00 0.91 C ATOM 1025 CD ARG A 71 -0.629 -1.320 10.705 1.00 0.77 C ATOM 1026 NE ARG A 71 -1.584 -0.364 11.260 1.00 1.38 N ATOM 1027 CZ ARG A 71 -2.441 -0.659 12.232 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -2.468 -1.880 12.751 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -3.273 0.267 12.688 1.00 2.61 N ATOM 0 H ARG A 71 -0.620 -0.347 6.354 1.00 0.20 H new ATOM 0 HA ARG A 71 0.858 1.828 7.599 1.00 0.25 H new ATOM 0 HB2 ARG A 71 1.142 0.522 9.714 1.00 0.38 H new ATOM 0 HB3 ARG A 71 -0.492 1.109 9.481 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -1.168 -1.137 8.636 1.00 0.91 H new ATOM 0 HG3 ARG A 71 0.464 -1.719 8.902 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.045 -2.326 10.769 1.00 0.77 H new ATOM 0 HD3 ARG A 71 0.281 -1.312 11.305 1.00 0.77 H new ATOM 0 HE ARG A 71 -1.594 0.583 10.880 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -1.830 -2.596 12.404 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -3.127 -2.103 13.497 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -3.256 1.207 12.293 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -3.930 0.039 13.434 1.00 2.61 H new ATOM 1043 N VAL A 72 2.953 0.587 7.177 1.00 0.21 N ATOM 1044 CA VAL A 72 4.188 -0.066 6.761 1.00 0.17 C ATOM 1045 C VAL A 72 4.853 -0.746 7.956 1.00 0.17 C ATOM 1046 O VAL A 72 4.369 -0.637 9.081 1.00 0.20 O ATOM 1047 CB VAL A 72 5.174 0.945 6.136 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.185 0.242 5.242 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.422 2.015 5.358 1.00 0.28 C ATOM 0 H VAL A 72 3.071 1.559 7.462 1.00 0.21 H new ATOM 0 HA VAL A 72 3.931 -0.812 6.009 1.00 0.17 H new ATOM 0 HB VAL A 72 5.721 1.428 6.946 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.867 0.978 4.815 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.752 -0.479 5.831 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.662 -0.277 4.439 1.00 0.22 H new ATOM 0 HG21 VAL A 72 5.134 2.718 4.925 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.844 1.547 4.561 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.749 2.548 6.030 1.00 0.28 H new ATOM 1059 N ASP A 73 5.945 -1.463 7.707 1.00 0.18 N ATOM 1060 CA ASP A 73 6.674 -2.152 8.770 1.00 0.21 C ATOM 1061 C ASP A 73 6.951 -1.222 9.954 1.00 0.22 C ATOM 1062 O ASP A 73 7.779 -0.317 9.862 1.00 0.23 O ATOM 1063 CB ASP A 73 7.996 -2.695 8.229 1.00 0.26 C ATOM 1064 CG ASP A 73 8.649 -3.683 9.177 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.347 -4.891 9.076 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.465 -3.250 10.016 1.00 0.56 O ATOM 0 H ASP A 73 6.346 -1.583 6.777 1.00 0.18 H new ATOM 0 HA ASP A 73 6.051 -2.975 9.120 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.820 -3.180 7.269 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.679 -1.865 8.047 1.00 0.26 H new ATOM 1071 N ASP A 74 6.253 -1.460 11.064 1.00 0.25 N ATOM 1072 CA ASP A 74 6.425 -0.660 12.279 1.00 0.29 C ATOM 1073 C ASP A 74 6.177 0.826 12.013 1.00 0.25 C ATOM 1074 O ASP A 74 6.733 1.690 12.690 1.00 0.29 O ATOM 1075 CB ASP A 74 7.833 -0.867 12.847 1.00 0.35 C ATOM 1076 CG ASP A 74 7.991 -0.292 14.242 1.00 1.20 C ATOM 1077 OD1 ASP A 74 7.550 -0.950 15.207 1.00 1.34 O ATOM 1078 OD2 ASP A 74 8.559 0.813 14.369 1.00 2.01 O ATOM 0 H ASP A 74 5.560 -2.204 11.148 1.00 0.25 H new ATOM 0 HA ASP A 74 5.688 -0.995 13.009 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.058 -1.933 12.870 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.561 -0.402 12.182 1.00 0.35 H new ATOM 1083 N VAL A 75 5.333 1.116 11.027 1.00 0.27 N ATOM 1084 CA VAL A 75 5.009 2.496 10.672 1.00 0.27 C ATOM 1085 C VAL A 75 3.559 2.612 10.206 1.00 0.37 C ATOM 1086 O VAL A 75 3.033 1.706 9.562 1.00 0.79 O ATOM 1087 CB VAL A 75 5.938 3.029 9.559 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.589 4.467 9.206 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.398 2.923 9.977 1.00 0.41 C ATOM 0 H VAL A 75 4.860 0.414 10.458 1.00 0.27 H new ATOM 0 HA VAL A 75 5.154 3.097 11.570 1.00 0.27 H new ATOM 0 HB VAL A 75 5.789 2.413 8.672 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.256 4.821 8.420 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.558 4.516 8.856 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.702 5.096 10.089 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.034 3.304 9.178 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.561 3.509 10.881 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.646 1.880 10.172 1.00 0.41 H new ATOM 1099 N ASN A 76 2.917 3.727 10.541 1.00 0.30 N ATOM 1100 CA ASN A 76 1.531 3.960 10.148 1.00 0.37 C ATOM 1101 C ASN A 76 1.439 5.131 9.177 1.00 0.42 C ATOM 1102 O ASN A 76 1.979 6.207 9.438 1.00 0.58 O ATOM 1103 CB ASN A 76 0.665 4.233 11.380 1.00 0.46 C ATOM 1104 CG ASN A 76 -0.787 4.476 11.021 1.00 1.35 C ATOM 1105 OD1 ASN A 76 -1.294 3.936 10.038 1.00 2.24 O ATOM 1106 ND2 ASN A 76 -1.466 5.295 11.816 1.00 2.08 N ATOM 0 H ASN A 76 3.334 4.483 11.084 1.00 0.30 H new ATOM 0 HA ASN A 76 1.162 3.063 9.650 1.00 0.37 H new ATOM 0 HB2 ASN A 76 0.731 3.386 12.063 1.00 0.46 H new ATOM 0 HB3 ASN A 76 1.056 5.101 11.911 1.00 0.46 H new ATOM 0 HD21 ASN A 76 -2.447 5.497 11.622 1.00 2.08 H new ATOM 0 HD22 ASN A 76 -1.007 5.722 12.621 1.00 2.08 H new ATOM 1113 N VAL A 77 0.748 4.923 8.057 1.00 0.35 N ATOM 1114 CA VAL A 77 0.604 5.969 7.050 1.00 0.43 C ATOM 1115 C VAL A 77 -0.837 6.459 6.956 1.00 0.53 C ATOM 1116 O VAL A 77 -1.266 6.955 5.913 1.00 0.67 O ATOM 1117 CB VAL A 77 1.063 5.477 5.664 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.536 5.104 5.693 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.217 4.301 5.204 1.00 0.53 C ATOM 0 H VAL A 77 0.283 4.045 7.826 1.00 0.35 H new ATOM 0 HA VAL A 77 1.239 6.797 7.364 1.00 0.43 H new ATOM 0 HB VAL A 77 0.930 6.289 4.949 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.843 4.759 4.706 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.127 5.976 5.972 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.696 4.309 6.421 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.558 3.969 4.223 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.313 3.483 5.918 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.827 4.607 5.141 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.578 6.324 8.050 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.968 6.760 8.086 1.00 0.72 C ATOM 1131 C GLN A 78 -3.075 8.177 8.640 1.00 0.61 C ATOM 1132 O GLN A 78 -4.065 8.533 9.281 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.805 5.800 8.936 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.866 4.387 8.378 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.507 4.327 7.005 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.691 4.454 5.964 1.00 1.39 O flip ATOM 1137 NE2 GLN A 78 -5.720 4.167 6.880 1.00 1.05 N flip ATOM 0 H GLN A 78 -1.240 5.917 8.922 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.353 6.757 7.066 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.391 5.766 9.944 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.818 6.192 9.020 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.857 3.979 8.321 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.428 3.754 9.065 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.310 4.074 7.707 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.136 4.127 5.950 1.00 1.05 H new ATOM 1146 N GLY A 79 -2.047 8.984 8.385 1.00 0.48 N ATOM 1147 CA GLY A 79 -2.043 10.354 8.865 1.00 0.48 C ATOM 1148 C GLY A 79 -0.760 11.089 8.527 1.00 0.41 C ATOM 1149 O GLY A 79 -0.293 11.921 9.306 1.00 0.55 O ATOM 0 H GLY A 79 -1.219 8.713 7.855 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.888 10.889 8.432 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -2.184 10.356 9.946 1.00 0.48 H new ATOM 1153 N MET A 80 -0.185 10.785 7.366 1.00 0.32 N ATOM 1154 CA MET A 80 1.050 11.431 6.933 1.00 0.33 C ATOM 1155 C MET A 80 0.954 11.856 5.472 1.00 0.30 C ATOM 1156 O MET A 80 0.327 11.180 4.657 1.00 0.34 O ATOM 1157 CB MET A 80 2.240 10.490 7.122 1.00 0.39 C ATOM 1158 CG MET A 80 2.458 10.066 8.566 1.00 0.46 C ATOM 1159 SD MET A 80 4.038 9.232 8.816 1.00 0.52 S ATOM 1160 CE MET A 80 3.918 7.902 7.623 1.00 0.48 C ATOM 0 H MET A 80 -0.554 10.097 6.710 1.00 0.32 H new ATOM 0 HA MET A 80 1.199 12.320 7.546 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.090 9.601 6.510 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.142 10.981 6.756 1.00 0.39 H new ATOM 0 HG2 MET A 80 2.410 10.944 9.209 1.00 0.46 H new ATOM 0 HG3 MET A 80 1.649 9.402 8.872 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.092 6.949 8.122 1.00 0.48 H new ATOM 0 HE2 MET A 80 2.923 7.902 7.177 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.665 8.045 6.842 1.00 0.48 H new ATOM 1170 N ALA A 81 1.581 12.984 5.149 1.00 0.29 N ATOM 1171 CA ALA A 81 1.567 13.501 3.786 1.00 0.31 C ATOM 1172 C ALA A 81 2.243 12.530 2.826 1.00 0.26 C ATOM 1173 O ALA A 81 3.144 11.789 3.217 1.00 0.23 O ATOM 1174 CB ALA A 81 2.243 14.864 3.728 1.00 0.39 C ATOM 0 H ALA A 81 2.104 13.556 5.812 1.00 0.29 H new ATOM 0 HA ALA A 81 0.528 13.613 3.477 1.00 0.31 H new ATOM 0 HB1 ALA A 81 2.224 15.236 2.704 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.713 15.561 4.377 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.277 14.772 4.062 1.00 0.39 H new ATOM 1180 N GLN A 82 1.802 12.539 1.571 1.00 0.33 N ATOM 1181 CA GLN A 82 2.357 11.653 0.549 1.00 0.35 C ATOM 1182 C GLN A 82 3.883 11.646 0.587 1.00 0.31 C ATOM 1183 O GLN A 82 4.506 10.584 0.645 1.00 0.31 O ATOM 1184 CB GLN A 82 1.871 12.081 -0.838 1.00 0.42 C ATOM 1185 CG GLN A 82 2.396 11.211 -1.968 1.00 0.51 C ATOM 1186 CD GLN A 82 1.915 11.671 -3.329 1.00 0.76 C ATOM 1187 OE1 GLN A 82 1.669 12.858 -3.544 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.780 10.733 -4.259 1.00 0.74 N ATOM 0 H GLN A 82 1.059 13.152 1.235 1.00 0.33 H new ATOM 0 HA GLN A 82 2.010 10.641 0.758 1.00 0.35 H new ATOM 0 HB2 GLN A 82 0.781 12.061 -0.853 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.173 13.113 -1.016 1.00 0.42 H new ATOM 0 HG2 GLN A 82 3.486 11.218 -1.951 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.081 10.180 -1.805 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.995 9.761 -4.038 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.461 10.985 -5.195 1.00 0.74 H new ATOM 1197 N SER A 83 4.477 12.836 0.559 1.00 0.32 N ATOM 1198 CA SER A 83 5.931 12.974 0.583 1.00 0.35 C ATOM 1199 C SER A 83 6.547 12.163 1.720 1.00 0.30 C ATOM 1200 O SER A 83 7.514 11.429 1.516 1.00 0.35 O ATOM 1201 CB SER A 83 6.317 14.447 0.723 1.00 0.44 C ATOM 1202 OG SER A 83 5.802 15.213 -0.352 1.00 1.48 O ATOM 0 H SER A 83 3.972 13.721 0.520 1.00 0.32 H new ATOM 0 HA SER A 83 6.321 12.587 -0.358 1.00 0.35 H new ATOM 0 HB2 SER A 83 5.937 14.838 1.667 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.403 14.541 0.753 1.00 0.44 H new ATOM 0 HG SER A 83 6.061 16.151 -0.239 1.00 1.48 H new ATOM 1208 N ASP A 84 5.981 12.299 2.916 1.00 0.24 N ATOM 1209 CA ASP A 84 6.480 11.579 4.083 1.00 0.24 C ATOM 1210 C ASP A 84 6.426 10.070 3.861 1.00 0.20 C ATOM 1211 O ASP A 84 7.358 9.347 4.218 1.00 0.24 O ATOM 1212 CB ASP A 84 5.669 11.953 5.325 1.00 0.27 C ATOM 1213 CG ASP A 84 5.825 13.416 5.699 1.00 1.03 C ATOM 1214 OD1 ASP A 84 5.043 14.246 5.190 1.00 2.12 O ATOM 1215 OD2 ASP A 84 6.728 13.730 6.502 1.00 0.97 O ATOM 0 H ASP A 84 5.178 12.900 3.102 1.00 0.24 H new ATOM 0 HA ASP A 84 7.520 11.867 4.236 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.616 11.737 5.147 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.985 11.331 6.163 1.00 0.27 H new ATOM 1220 N VAL A 85 5.332 9.601 3.268 1.00 0.19 N ATOM 1221 CA VAL A 85 5.163 8.178 2.999 1.00 0.22 C ATOM 1222 C VAL A 85 6.286 7.654 2.109 1.00 0.21 C ATOM 1223 O VAL A 85 6.776 6.541 2.299 1.00 0.24 O ATOM 1224 CB VAL A 85 3.808 7.883 2.325 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.555 6.385 2.261 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.676 8.587 3.059 1.00 0.30 C ATOM 0 H VAL A 85 4.552 10.184 2.966 1.00 0.19 H new ATOM 0 HA VAL A 85 5.194 7.669 3.963 1.00 0.22 H new ATOM 0 HB VAL A 85 3.845 8.268 1.306 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.594 6.198 1.782 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.347 5.907 1.684 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.543 5.975 3.271 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.729 8.365 2.566 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.639 8.238 4.091 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.848 9.663 3.046 1.00 0.30 H new ATOM 1236 N VAL A 86 6.695 8.469 1.138 1.00 0.22 N ATOM 1237 CA VAL A 86 7.762 8.087 0.219 1.00 0.25 C ATOM 1238 C VAL A 86 9.098 7.976 0.947 1.00 0.24 C ATOM 1239 O VAL A 86 9.903 7.092 0.651 1.00 0.26 O ATOM 1240 CB VAL A 86 7.902 9.095 -0.938 1.00 0.30 C ATOM 1241 CG1 VAL A 86 8.937 8.617 -1.945 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.558 9.323 -1.616 1.00 0.34 C ATOM 0 H VAL A 86 6.304 9.396 0.969 1.00 0.22 H new ATOM 0 HA VAL A 86 7.491 7.115 -0.192 1.00 0.25 H new ATOM 0 HB VAL A 86 8.242 10.044 -0.525 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.020 9.343 -2.754 1.00 0.37 H new ATOM 0 HG12 VAL A 86 9.903 8.511 -1.451 1.00 0.37 H new ATOM 0 HG13 VAL A 86 8.630 7.654 -2.353 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.678 10.038 -2.430 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.186 8.379 -2.014 1.00 0.34 H new ATOM 0 HG23 VAL A 86 5.846 9.716 -0.890 1.00 0.34 H new ATOM 1252 N GLU A 87 9.329 8.879 1.896 1.00 0.25 N ATOM 1253 CA GLU A 87 10.568 8.875 2.668 1.00 0.26 C ATOM 1254 C GLU A 87 10.755 7.539 3.379 1.00 0.24 C ATOM 1255 O GLU A 87 11.838 6.957 3.352 1.00 0.26 O ATOM 1256 CB GLU A 87 10.567 10.016 3.687 1.00 0.32 C ATOM 1257 CG GLU A 87 10.525 11.397 3.054 1.00 0.75 C ATOM 1258 CD GLU A 87 10.570 12.511 4.080 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.686 12.953 4.428 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.491 12.943 4.538 1.00 1.51 O ATOM 0 H GLU A 87 8.676 9.621 2.148 1.00 0.25 H new ATOM 0 HA GLU A 87 11.399 9.021 1.978 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.707 9.902 4.347 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.459 9.937 4.309 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.367 11.504 2.370 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.616 11.492 2.459 1.00 0.75 H new ATOM 1267 N VAL A 88 9.688 7.060 4.013 1.00 0.22 N ATOM 1268 CA VAL A 88 9.729 5.790 4.728 1.00 0.22 C ATOM 1269 C VAL A 88 10.099 4.646 3.792 1.00 0.23 C ATOM 1270 O VAL A 88 11.038 3.892 4.055 1.00 0.25 O ATOM 1271 CB VAL A 88 8.372 5.476 5.388 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.344 4.048 5.917 1.00 0.26 C ATOM 1273 CG2 VAL A 88 8.081 6.470 6.502 1.00 0.27 C ATOM 0 H VAL A 88 8.785 7.533 4.046 1.00 0.22 H new ATOM 0 HA VAL A 88 10.491 5.885 5.502 1.00 0.22 H new ATOM 0 HB VAL A 88 7.593 5.569 4.631 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.377 3.850 6.378 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.503 3.352 5.094 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.133 3.919 6.658 1.00 0.26 H new ATOM 0 HG21 VAL A 88 7.119 6.234 6.958 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.865 6.410 7.257 1.00 0.27 H new ATOM 0 HG23 VAL A 88 8.050 7.479 6.091 1.00 0.27 H new ATOM 1283 N LEU A 89 9.350 4.520 2.702 1.00 0.24 N ATOM 1284 CA LEU A 89 9.589 3.465 1.728 1.00 0.28 C ATOM 1285 C LEU A 89 11.025 3.509 1.211 1.00 0.32 C ATOM 1286 O LEU A 89 11.575 2.489 0.794 1.00 0.39 O ATOM 1287 CB LEU A 89 8.607 3.587 0.560 1.00 0.32 C ATOM 1288 CG LEU A 89 7.125 3.519 0.944 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.246 3.803 -0.264 1.00 0.41 C ATOM 1290 CD2 LEU A 89 6.790 2.159 1.539 1.00 0.35 C ATOM 0 H LEU A 89 8.571 5.137 2.472 1.00 0.24 H new ATOM 0 HA LEU A 89 9.434 2.507 2.225 1.00 0.28 H new ATOM 0 HB2 LEU A 89 8.790 4.532 0.049 1.00 0.32 H new ATOM 0 HB3 LEU A 89 8.817 2.792 -0.155 1.00 0.32 H new ATOM 0 HG LEU A 89 6.930 4.282 1.697 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.197 3.750 0.029 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.466 4.799 -0.648 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.444 3.063 -1.040 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.734 2.129 1.806 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.002 1.380 0.807 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.394 1.993 2.431 1.00 0.35 H new ATOM 1302 N ARG A 90 11.628 4.695 1.240 1.00 0.31 N ATOM 1303 CA ARG A 90 13.001 4.869 0.774 1.00 0.37 C ATOM 1304 C ARG A 90 14.003 4.645 1.904 1.00 0.37 C ATOM 1305 O ARG A 90 15.182 4.392 1.655 1.00 0.48 O ATOM 1306 CB ARG A 90 13.188 6.266 0.179 1.00 0.41 C ATOM 1307 CG ARG A 90 12.441 6.474 -1.129 1.00 0.49 C ATOM 1308 CD ARG A 90 12.654 7.875 -1.675 1.00 0.72 C ATOM 1309 NE ARG A 90 12.115 8.900 -0.786 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.238 10.205 -1.004 1.00 1.59 C ATOM 1311 NH1 ARG A 90 12.883 10.642 -2.078 1.00 1.82 N ATOM 1312 NH2 ARG A 90 11.715 11.075 -0.152 1.00 2.10 N ATOM 0 H ARG A 90 11.188 5.549 1.581 1.00 0.31 H new ATOM 0 HA ARG A 90 13.187 4.123 0.001 1.00 0.37 H new ATOM 0 HB2 ARG A 90 12.851 7.008 0.903 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.251 6.442 0.013 1.00 0.41 H new ATOM 0 HG2 ARG A 90 12.778 5.741 -1.862 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.376 6.301 -0.973 1.00 0.49 H new ATOM 0 HD2 ARG A 90 13.720 8.048 -1.822 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.180 7.958 -2.653 1.00 0.72 H new ATOM 0 HE ARG A 90 11.616 8.597 0.050 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.285 9.976 -2.738 1.00 1.82 H new ATOM 0 HH12 ARG A 90 12.977 11.644 -2.244 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.216 10.743 0.674 1.00 2.10 H new ATOM 0 HH22 ARG A 90 11.811 12.076 -0.322 1.00 2.10 H new ATOM 1326 N ASN A 91 13.532 4.742 3.144 1.00 0.32 N ATOM 1327 CA ASN A 91 14.394 4.548 4.305 1.00 0.36 C ATOM 1328 C ASN A 91 14.422 3.084 4.732 1.00 0.36 C ATOM 1329 O ASN A 91 15.217 2.693 5.586 1.00 0.42 O ATOM 1330 CB ASN A 91 13.924 5.421 5.470 1.00 0.38 C ATOM 1331 CG ASN A 91 14.110 6.900 5.195 1.00 0.44 C ATOM 1332 OD1 ASN A 91 15.025 7.298 4.475 1.00 1.11 O ATOM 1333 ND2 ASN A 91 13.242 7.722 5.771 1.00 1.14 N ATOM 0 H ASN A 91 12.560 4.953 3.370 1.00 0.32 H new ATOM 0 HA ASN A 91 15.405 4.842 4.023 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.871 5.221 5.669 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.476 5.149 6.370 1.00 0.38 H new ATOM 0 HD21 ASN A 91 13.318 8.729 5.624 1.00 1.14 H new ATOM 0 HD22 ASN A 91 12.499 7.347 6.360 1.00 1.14 H new ATOM 1340 N ALA A 92 13.547 2.281 4.135 1.00 0.32 N ATOM 1341 CA ALA A 92 13.473 0.859 4.453 1.00 0.34 C ATOM 1342 C ALA A 92 14.811 0.162 4.207 1.00 0.46 C ATOM 1343 O ALA A 92 15.630 0.040 5.118 1.00 0.55 O ATOM 1344 CB ALA A 92 12.368 0.194 3.644 1.00 0.32 C ATOM 0 H ALA A 92 12.879 2.590 3.429 1.00 0.32 H new ATOM 0 HA ALA A 92 13.240 0.764 5.513 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.324 -0.867 3.891 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.412 0.662 3.880 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.576 0.310 2.580 1.00 0.32 H new ATOM 1350 N GLY A 93 15.028 -0.293 2.975 1.00 0.53 N ATOM 1351 CA GLY A 93 16.269 -0.973 2.644 1.00 0.68 C ATOM 1352 C GLY A 93 16.473 -2.231 3.464 1.00 0.66 C ATOM 1353 O GLY A 93 17.594 -2.719 3.601 1.00 0.76 O ATOM 0 H GLY A 93 14.368 -0.203 2.202 1.00 0.53 H new ATOM 0 HA2 GLY A 93 16.269 -1.229 1.584 1.00 0.68 H new ATOM 0 HA3 GLY A 93 17.107 -0.295 2.808 1.00 0.68 H new ATOM 1357 N ASN A 94 15.382 -2.750 4.020 1.00 0.54 N ATOM 1358 CA ASN A 94 15.429 -3.953 4.844 1.00 0.54 C ATOM 1359 C ASN A 94 14.144 -4.769 4.687 1.00 0.43 C ATOM 1360 O ASN A 94 13.214 -4.327 4.012 1.00 0.39 O ATOM 1361 CB ASN A 94 15.643 -3.547 6.305 1.00 0.59 C ATOM 1362 CG ASN A 94 17.093 -3.220 6.596 1.00 1.57 C ATOM 1363 OD1 ASN A 94 17.999 -3.916 5.920 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 17.397 -2.357 7.421 1.00 2.52 N flip ATOM 0 H ASN A 94 14.449 -2.353 3.913 1.00 0.54 H new ATOM 0 HA ASN A 94 16.258 -4.583 4.520 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.023 -2.681 6.535 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.316 -4.356 6.958 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.667 -1.846 7.918 1.00 2.52 H new ATOM 0 HD22 ASN A 94 18.379 -2.153 7.607 1.00 2.52 H new ATOM 1371 N PRO A 95 14.080 -5.994 5.264 1.00 0.41 N ATOM 1372 CA PRO A 95 12.872 -6.825 5.195 1.00 0.35 C ATOM 1373 C PRO A 95 11.692 -6.159 5.891 1.00 0.32 C ATOM 1374 O PRO A 95 11.467 -6.360 7.084 1.00 0.45 O ATOM 1375 CB PRO A 95 13.267 -8.117 5.920 1.00 0.44 C ATOM 1376 CG PRO A 95 14.447 -7.750 6.750 1.00 0.64 C ATOM 1377 CD PRO A 95 15.170 -6.681 5.983 1.00 0.51 C ATOM 0 HA PRO A 95 12.550 -6.994 4.167 1.00 0.35 H new ATOM 0 HB2 PRO A 95 12.450 -8.488 6.539 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.514 -8.907 5.211 1.00 0.44 H new ATOM 0 HG2 PRO A 95 14.138 -7.387 7.730 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.090 -8.614 6.918 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.707 -6.002 6.645 1.00 0.51 H new ATOM 0 HD3 PRO A 95 15.904 -7.103 5.296 1.00 0.51 H new ATOM 1385 N VAL A 96 10.939 -5.366 5.135 1.00 0.28 N ATOM 1386 CA VAL A 96 9.790 -4.655 5.680 1.00 0.33 C ATOM 1387 C VAL A 96 8.473 -5.314 5.285 1.00 0.28 C ATOM 1388 O VAL A 96 8.370 -5.957 4.239 1.00 0.30 O ATOM 1389 CB VAL A 96 9.775 -3.187 5.214 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.981 -2.441 5.761 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.736 -3.108 3.695 1.00 0.38 C ATOM 0 H VAL A 96 11.105 -5.200 4.142 1.00 0.28 H new ATOM 0 HA VAL A 96 9.888 -4.693 6.765 1.00 0.33 H new ATOM 0 HB VAL A 96 8.874 -2.712 5.603 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.953 -1.406 5.421 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.961 -2.466 6.851 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.895 -2.916 5.404 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.726 -2.063 3.385 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.617 -3.600 3.282 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.838 -3.604 3.328 1.00 0.38 H new ATOM 1401 N ARG A 97 7.468 -5.145 6.139 1.00 0.24 N ATOM 1402 CA ARG A 97 6.142 -5.699 5.902 1.00 0.22 C ATOM 1403 C ARG A 97 5.203 -4.613 5.386 1.00 0.18 C ATOM 1404 O ARG A 97 5.295 -3.455 5.802 1.00 0.18 O ATOM 1405 CB ARG A 97 5.589 -6.309 7.193 1.00 0.27 C ATOM 1406 CG ARG A 97 4.204 -6.917 7.043 1.00 0.69 C ATOM 1407 CD ARG A 97 3.748 -7.577 8.334 1.00 0.71 C ATOM 1408 NE ARG A 97 2.440 -8.212 8.194 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.830 -8.868 9.177 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.406 -8.971 10.368 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.642 -9.420 8.971 1.00 2.37 N ATOM 0 H ARG A 97 7.551 -4.622 7.011 1.00 0.24 H new ATOM 0 HA ARG A 97 6.217 -6.483 5.148 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.277 -7.079 7.543 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.555 -5.538 7.962 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.493 -6.142 6.758 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.213 -7.653 6.239 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.482 -8.323 8.638 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.705 -6.830 9.127 1.00 0.71 H new ATOM 0 HE ARG A 97 1.968 -8.149 7.292 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.319 -8.546 10.531 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.936 -9.475 11.120 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.195 -9.342 8.058 1.00 2.37 H new ATOM 0 HH22 ARG A 97 0.175 -9.923 9.726 1.00 2.37 H new ATOM 1425 N LEU A 98 4.306 -4.988 4.481 1.00 0.19 N ATOM 1426 CA LEU A 98 3.360 -4.038 3.905 1.00 0.18 C ATOM 1427 C LEU A 98 1.918 -4.474 4.146 1.00 0.18 C ATOM 1428 O LEU A 98 1.427 -5.400 3.500 1.00 0.30 O ATOM 1429 CB LEU A 98 3.599 -3.895 2.398 1.00 0.23 C ATOM 1430 CG LEU A 98 4.965 -4.373 1.895 1.00 0.25 C ATOM 1431 CD1 LEU A 98 4.950 -4.522 0.382 1.00 0.30 C ATOM 1432 CD2 LEU A 98 6.062 -3.408 2.319 1.00 0.37 C ATOM 0 H LEU A 98 4.214 -5.941 4.130 1.00 0.19 H new ATOM 0 HA LEU A 98 3.520 -3.078 4.395 1.00 0.18 H new ATOM 0 HB2 LEU A 98 2.823 -4.451 1.871 1.00 0.23 H new ATOM 0 HB3 LEU A 98 3.479 -2.846 2.127 1.00 0.23 H new ATOM 0 HG LEU A 98 5.172 -5.346 2.340 1.00 0.25 H new ATOM 0 HD11 LEU A 98 5.928 -4.862 0.040 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.192 -5.251 0.096 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.720 -3.560 -0.076 1.00 0.30 H new ATOM 0 HD21 LEU A 98 7.024 -3.766 1.952 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.859 -2.421 1.903 1.00 0.37 H new ATOM 0 HD23 LEU A 98 6.090 -3.344 3.407 1.00 0.37 H new ATOM 1444 N LEU A 99 1.242 -3.806 5.077 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.149 -4.123 5.382 1.00 0.19 C ATOM 1446 C LEU A 99 -1.085 -3.215 4.590 1.00 0.19 C ATOM 1447 O LEU A 99 -1.234 -2.033 4.903 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.422 -3.982 6.882 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.854 -4.315 7.317 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -2.224 -5.734 6.914 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -2.010 -4.130 8.820 1.00 0.36 C ATOM 0 H LEU A 99 1.634 -3.045 5.631 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.334 -5.158 5.094 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.266 -4.632 7.423 1.00 0.22 H new ATOM 0 HB3 LEU A 99 -0.197 -2.959 7.182 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.533 -3.629 6.811 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.244 -5.948 7.233 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -2.153 -5.835 5.831 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.540 -6.437 7.389 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -3.032 -4.370 9.112 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -1.318 -4.791 9.342 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.791 -3.095 9.084 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.712 -3.778 3.559 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.628 -3.019 2.714 1.00 0.23 C ATOM 1465 C LEU A 100 -3.926 -3.784 2.472 1.00 0.24 C ATOM 1466 O LEU A 100 -4.029 -4.972 2.780 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.956 -2.686 1.376 1.00 0.25 C ATOM 1468 CG LEU A 100 -0.967 -3.738 0.862 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.696 -5.001 0.431 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.143 -3.182 -0.288 1.00 0.31 C ATOM 0 H LEU A 100 -1.602 -4.756 3.290 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.876 -2.094 3.234 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.732 -2.542 0.624 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.431 -1.736 1.478 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.292 -3.995 1.678 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -0.973 -5.733 0.070 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.239 -5.416 1.280 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.399 -4.761 -0.367 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.553 -3.944 -0.639 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -0.806 -2.893 -1.104 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.415 -2.310 0.053 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.917 -3.088 1.924 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.212 -3.691 1.638 1.00 0.29 C ATOM 1484 C ILE A 101 -6.563 -3.558 0.159 1.00 0.32 C ATOM 1485 O ILE A 101 -6.277 -2.538 -0.469 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.332 -3.043 2.479 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.696 -3.642 2.111 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.331 -1.536 2.279 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.846 -3.111 2.942 1.00 0.45 C ATOM 0 H ILE A 101 -4.846 -2.103 1.669 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.135 -4.746 1.899 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.145 -3.251 3.533 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -8.898 -3.441 1.059 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.648 -4.725 2.225 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.125 -1.089 2.877 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.369 -1.128 2.590 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.498 -1.309 1.226 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.775 -3.583 2.621 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.669 -3.336 3.994 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.923 -2.032 2.810 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.182 -4.598 -0.388 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.582 -4.599 -1.793 1.00 0.46 C ATOM 1503 C ARG A 102 -8.555 -5.735 -2.069 1.00 0.60 C ATOM 1504 O ARG A 102 -8.358 -6.862 -1.611 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.357 -4.718 -2.705 1.00 0.70 C ATOM 1506 CG ARG A 102 -6.696 -4.788 -4.187 1.00 1.27 C ATOM 1507 CD ARG A 102 -7.353 -3.507 -4.679 1.00 1.35 C ATOM 1508 NE ARG A 102 -7.696 -3.579 -6.097 1.00 1.49 N ATOM 1509 CZ ARG A 102 -8.622 -2.820 -6.676 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -9.295 -1.925 -5.962 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.874 -2.952 -7.972 1.00 2.20 N ATOM 0 H ARG A 102 -7.418 -5.451 0.118 1.00 0.39 H new ATOM 0 HA ARG A 102 -8.080 -3.653 -2.005 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -5.703 -3.863 -2.532 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -5.795 -5.610 -2.428 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.787 -4.973 -4.759 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -7.363 -5.631 -4.368 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -8.254 -3.315 -4.097 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -6.680 -2.666 -4.511 1.00 1.35 H new ATOM 0 HE ARG A 102 -7.195 -4.252 -6.678 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -9.102 -1.818 -4.966 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -10.004 -1.345 -6.410 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.357 -3.636 -8.525 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.584 -2.370 -8.415 1.00 2.20 H new