USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 591 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 14 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -2.34 (180deg=-2.72!) USER MOD Single : A 38 THR OG1 : rot -35:sc= 0.284 USER MOD Single : A 43 ASN : amide:sc= -1.72 K(o=-1.7,f=-0.9) USER MOD Single : A 46 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-0.83) USER MOD Single : A 53 SER OG : rot -92:sc= 0.859 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -64:sc= 0.729 USER MOD Single : A 66 ASN : amide:sc= -9.44! C(o=-9.4!,f=-6!) USER MOD Single : A 68 THR OG1 : rot 82:sc= 0.00292 USER MOD Single : A 69 SER OG : rot 45:sc= 0.0716 USER MOD Single : A 78 CYS SG : rot 160:sc= -1.31 USER MOD Single : A 79 GLN : amide:sc=-0.000627 K(o=-0.00063,f=-0.96) USER MOD Single : A 85 THR OG1 : rot 19:sc= 0.544 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -4.01! C(o=-4!,f=-3.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 4.078 1.368 -10.248 1.00 0.00 N ATOM 104 CA ARG A 11 4.400 -0.042 -10.428 1.00 0.00 C ATOM 105 C ARG A 11 3.293 -0.929 -9.864 1.00 0.00 C ATOM 106 O ARG A 11 2.862 -0.751 -8.726 1.00 0.00 O ATOM 107 CB ARG A 11 5.730 -0.374 -9.748 1.00 0.00 C ATOM 108 CG ARG A 11 6.464 -1.543 -10.384 1.00 0.00 C ATOM 109 CD ARG A 11 7.546 -2.088 -9.465 1.00 0.00 C ATOM 110 NE ARG A 11 8.338 -1.021 -8.859 1.00 0.00 N ATOM 111 CZ ARG A 11 9.290 -1.234 -7.957 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.567 -2.468 -7.560 1.00 0.00 N ATOM 113 NH2 ARG A 11 9.967 -0.211 -7.452 1.00 0.00 N ATOM 0 HA ARG A 11 4.488 -0.235 -11.497 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.372 0.506 -9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.545 -0.600 -8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.753 -2.335 -10.621 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.911 -1.224 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.086 -2.689 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.202 -2.750 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 11 8.150 -0.060 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.049 -3.257 -7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.298 -2.629 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.757 0.740 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.698 -0.375 -6.760 1.00 0.00 H new ATOM 127 N GLU A 12 2.838 -1.883 -10.671 1.00 0.00 N ATOM 128 CA GLU A 12 1.781 -2.796 -10.252 1.00 0.00 C ATOM 129 C GLU A 12 2.366 -4.111 -9.745 1.00 0.00 C ATOM 130 O GLU A 12 3.001 -4.851 -10.496 1.00 0.00 O ATOM 131 CB GLU A 12 0.821 -3.066 -11.413 1.00 0.00 C ATOM 132 CG GLU A 12 -0.583 -3.437 -10.968 1.00 0.00 C ATOM 133 CD GLU A 12 -1.632 -3.114 -12.014 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.463 -3.542 -13.175 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.621 -2.433 -11.672 1.00 0.00 O ATOM 0 H GLU A 12 3.184 -2.043 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 12 1.232 -2.325 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.770 -2.179 -12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.224 -3.872 -12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.618 -4.502 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.820 -2.906 -10.046 1.00 0.00 H new ATOM 142 N VAL A 13 2.148 -4.394 -8.465 1.00 0.00 N ATOM 143 CA VAL A 13 2.653 -5.619 -7.856 1.00 0.00 C ATOM 144 C VAL A 13 1.512 -6.479 -7.325 1.00 0.00 C ATOM 145 O VAL A 13 0.846 -6.116 -6.355 1.00 0.00 O ATOM 146 CB VAL A 13 3.630 -5.313 -6.705 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.322 -6.585 -6.240 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.648 -4.268 -7.135 1.00 0.00 C ATOM 0 H VAL A 13 1.625 -3.792 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 13 3.183 -6.165 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 13 3.062 -4.910 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.008 -6.349 -5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.576 -7.298 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.879 -7.020 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.330 -4.064 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.213 -4.640 -7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.131 -3.350 -7.414 1.00 0.00 H new ATOM 158 N HIS A 14 1.292 -7.622 -7.966 1.00 0.00 N ATOM 159 CA HIS A 14 0.231 -8.536 -7.557 1.00 0.00 C ATOM 160 C HIS A 14 0.750 -9.554 -6.546 1.00 0.00 C ATOM 161 O HIS A 14 1.871 -10.051 -6.670 1.00 0.00 O ATOM 162 CB HIS A 14 -0.346 -9.259 -8.775 1.00 0.00 C ATOM 163 CG HIS A 14 -0.628 -8.350 -9.932 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.359 -7.854 -10.757 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.795 -7.851 -10.402 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.188 -7.087 -11.683 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.495 -7.068 -11.490 1.00 0.00 N ATOM 0 H HIS A 14 1.834 -7.938 -8.770 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.557 -7.950 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.353 -10.033 -9.093 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.268 -9.762 -8.485 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.779 -8.034 -9.997 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.343 -6.564 -12.465 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.171 -6.556 -12.056 1.00 0.00 H new ATOM 175 N LEU A 15 -0.069 -9.859 -5.547 1.00 0.00 N ATOM 176 CA LEU A 15 0.307 -10.817 -4.513 1.00 0.00 C ATOM 177 C LEU A 15 -0.719 -11.941 -4.413 1.00 0.00 C ATOM 178 O LEU A 15 -1.878 -11.771 -4.790 1.00 0.00 O ATOM 179 CB LEU A 15 0.444 -10.113 -3.162 1.00 0.00 C ATOM 180 CG LEU A 15 1.231 -8.802 -3.165 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.902 -7.979 -1.930 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.726 -9.079 -3.241 1.00 0.00 C ATOM 0 H LEU A 15 -0.999 -9.457 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 15 1.268 -11.251 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.556 -9.913 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.923 -10.800 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 15 0.942 -8.228 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.471 -7.050 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.164 -7.751 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.162 -8.545 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.271 -8.135 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.030 -9.673 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.948 -9.628 -4.156 1.00 0.00 H new ATOM 194 N GLU A 16 -0.285 -13.088 -3.899 1.00 0.00 N ATOM 195 CA GLU A 16 -1.167 -14.239 -3.748 1.00 0.00 C ATOM 196 C GLU A 16 -1.220 -14.696 -2.293 1.00 0.00 C ATOM 197 O GLU A 16 -0.271 -15.291 -1.781 1.00 0.00 O ATOM 198 CB GLU A 16 -0.697 -15.391 -4.639 1.00 0.00 C ATOM 199 CG GLU A 16 -1.134 -15.257 -6.088 1.00 0.00 C ATOM 200 CD GLU A 16 -0.748 -16.459 -6.927 1.00 0.00 C ATOM 201 OE1 GLU A 16 -1.430 -17.500 -6.823 1.00 0.00 O ATOM 202 OE2 GLU A 16 0.237 -16.359 -7.688 1.00 0.00 O ATOM 0 H GLU A 16 0.671 -13.244 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.169 -13.939 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.391 -15.449 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.080 -16.329 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.215 -15.124 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.687 -14.360 -6.517 1.00 0.00 H new ATOM 209 N LYS A 17 -2.337 -14.414 -1.631 1.00 0.00 N ATOM 210 CA LYS A 17 -2.517 -14.795 -0.235 1.00 0.00 C ATOM 211 C LYS A 17 -3.600 -15.860 -0.097 1.00 0.00 C ATOM 212 O LYS A 17 -4.248 -16.230 -1.076 1.00 0.00 O ATOM 213 CB LYS A 17 -2.881 -13.570 0.607 1.00 0.00 C ATOM 214 CG LYS A 17 -4.375 -13.305 0.680 1.00 0.00 C ATOM 215 CD LYS A 17 -4.697 -12.207 1.681 1.00 0.00 C ATOM 216 CE LYS A 17 -4.377 -10.830 1.120 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.573 -9.759 2.135 1.00 0.00 N ATOM 0 H LYS A 17 -3.132 -13.922 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.576 -15.210 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.495 -13.706 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.385 -12.693 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.744 -13.020 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.895 -14.220 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.752 -12.256 1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.128 -12.369 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.346 -10.812 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.012 -10.633 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.289 -9.086 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.893 -10.183 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.674 -9.259 2.290 1.00 0.00 H new ATOM 231 N ARG A 18 -3.792 -16.347 1.124 1.00 0.00 N ATOM 232 CA ARG A 18 -4.797 -17.370 1.390 1.00 0.00 C ATOM 233 C ARG A 18 -6.011 -16.769 2.094 1.00 0.00 C ATOM 234 O ARG A 18 -5.871 -15.968 3.018 1.00 0.00 O ATOM 235 CB ARG A 18 -4.202 -18.491 2.243 1.00 0.00 C ATOM 236 CG ARG A 18 -2.957 -19.120 1.640 1.00 0.00 C ATOM 237 CD ARG A 18 -3.181 -19.519 0.190 1.00 0.00 C ATOM 238 NE ARG A 18 -2.356 -20.660 -0.198 1.00 0.00 N ATOM 239 CZ ARG A 18 -2.503 -21.319 -1.342 1.00 0.00 C ATOM 240 NH1 ARG A 18 -3.438 -20.952 -2.207 1.00 0.00 N ATOM 241 NH2 ARG A 18 -1.713 -22.348 -1.623 1.00 0.00 N ATOM 0 H ARG A 18 -3.265 -16.050 1.945 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.120 -17.783 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.958 -18.095 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.956 -19.265 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.127 -18.416 1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.674 -19.998 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.232 -19.764 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.956 -18.672 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.627 -20.968 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.047 -20.162 -1.995 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.548 -21.460 -3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.992 -22.633 -0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.827 -22.853 -2.502 1.00 0.00 H new ATOM 255 N ARG A 19 -7.200 -17.162 1.650 1.00 0.00 N ATOM 256 CA ARG A 19 -8.438 -16.661 2.236 1.00 0.00 C ATOM 257 C ARG A 19 -8.300 -16.509 3.748 1.00 0.00 C ATOM 258 O ARG A 19 -8.031 -17.478 4.458 1.00 0.00 O ATOM 259 CB ARG A 19 -9.599 -17.603 1.911 1.00 0.00 C ATOM 260 CG ARG A 19 -10.966 -17.004 2.197 1.00 0.00 C ATOM 261 CD ARG A 19 -12.084 -17.957 1.803 1.00 0.00 C ATOM 262 NE ARG A 19 -12.386 -18.915 2.863 1.00 0.00 N ATOM 263 CZ ARG A 19 -12.980 -18.585 4.004 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.335 -17.328 4.232 1.00 0.00 N ATOM 265 NH2 ARG A 19 -13.221 -19.514 4.921 1.00 0.00 N ATOM 0 H ARG A 19 -7.333 -17.826 0.887 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.644 -15.681 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.546 -17.881 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.485 -18.520 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.046 -16.766 3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.076 -16.067 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.981 -17.385 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.800 -18.495 0.899 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.127 -19.891 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.152 -16.611 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.791 -17.078 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.950 -20.482 4.750 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.677 -19.260 5.797 1.00 0.00 H new ATOM 279 N GLY A 20 -8.487 -15.286 4.235 1.00 0.00 N ATOM 280 CA GLY A 20 -8.379 -15.030 5.659 1.00 0.00 C ATOM 281 C GLY A 20 -6.940 -14.910 6.120 1.00 0.00 C ATOM 282 O GLY A 20 -6.621 -15.224 7.266 1.00 0.00 O ATOM 0 H GLY A 20 -8.711 -14.468 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.912 -14.111 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.867 -15.836 6.208 1.00 0.00 H new ATOM 286 N GLU A 21 -6.069 -14.456 5.223 1.00 0.00 N ATOM 287 CA GLU A 21 -4.656 -14.299 5.544 1.00 0.00 C ATOM 288 C GLU A 21 -4.292 -12.824 5.693 1.00 0.00 C ATOM 289 O GLU A 21 -4.549 -12.018 4.800 1.00 0.00 O ATOM 290 CB GLU A 21 -3.789 -14.942 4.460 1.00 0.00 C ATOM 291 CG GLU A 21 -2.297 -14.758 4.684 1.00 0.00 C ATOM 292 CD GLU A 21 -1.772 -15.596 5.834 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.426 -16.600 6.184 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.707 -15.246 6.384 1.00 0.00 O ATOM 0 H GLU A 21 -6.318 -14.191 4.270 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.468 -14.800 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.012 -16.008 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.058 -14.517 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.761 -15.023 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.090 -13.706 4.882 1.00 0.00 H new ATOM 301 N GLY A 22 -3.693 -12.480 6.829 1.00 0.00 N ATOM 302 CA GLY A 22 -3.305 -11.103 7.074 1.00 0.00 C ATOM 303 C GLY A 22 -2.324 -10.584 6.041 1.00 0.00 C ATOM 304 O GLY A 22 -1.183 -11.042 5.973 1.00 0.00 O ATOM 0 H GLY A 22 -3.470 -13.129 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.194 -10.473 7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.859 -11.025 8.065 1.00 0.00 H new ATOM 308 N LEU A 23 -2.769 -9.627 5.234 1.00 0.00 N ATOM 309 CA LEU A 23 -1.923 -9.046 4.198 1.00 0.00 C ATOM 310 C LEU A 23 -0.489 -8.887 4.691 1.00 0.00 C ATOM 311 O LEU A 23 0.460 -8.973 3.912 1.00 0.00 O ATOM 312 CB LEU A 23 -2.478 -7.689 3.761 1.00 0.00 C ATOM 313 CG LEU A 23 -2.151 -7.259 2.330 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.630 -5.838 2.077 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.656 -7.375 2.067 1.00 0.00 C ATOM 0 H LEU A 23 -3.711 -9.237 5.277 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.920 -9.723 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.562 -7.709 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.100 -6.928 4.443 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.673 -7.924 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.389 -5.549 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.709 -5.786 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.136 -5.158 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.441 -7.065 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.114 -6.734 2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.341 -8.409 2.206 1.00 0.00 H new ATOM 327 N GLY A 24 -0.338 -8.657 5.992 1.00 0.00 N ATOM 328 CA GLY A 24 0.984 -8.493 6.568 1.00 0.00 C ATOM 329 C GLY A 24 1.685 -7.246 6.064 1.00 0.00 C ATOM 330 O GLY A 24 2.741 -7.329 5.437 1.00 0.00 O ATOM 0 H GLY A 24 -1.108 -8.581 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.901 -8.446 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.591 -9.367 6.333 1.00 0.00 H new ATOM 334 N VAL A 25 1.095 -6.087 6.337 1.00 0.00 N ATOM 335 CA VAL A 25 1.668 -4.817 5.906 1.00 0.00 C ATOM 336 C VAL A 25 1.332 -3.701 6.888 1.00 0.00 C ATOM 337 O VAL A 25 0.163 -3.444 7.176 1.00 0.00 O ATOM 338 CB VAL A 25 1.167 -4.421 4.505 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.853 -5.258 3.436 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.344 -4.567 4.419 1.00 0.00 C ATOM 0 H VAL A 25 0.220 -6.001 6.855 1.00 0.00 H new ATOM 0 HA VAL A 25 2.749 -4.954 5.872 1.00 0.00 H new ATOM 0 HB VAL A 25 1.419 -3.375 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.486 -4.964 2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.930 -5.098 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.635 -6.313 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.681 -4.283 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.621 -5.603 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.815 -3.920 5.159 1.00 0.00 H new ATOM 350 N ALA A 26 2.365 -3.039 7.400 1.00 0.00 N ATOM 351 CA ALA A 26 2.179 -1.948 8.349 1.00 0.00 C ATOM 352 C ALA A 26 2.333 -0.594 7.665 1.00 0.00 C ATOM 353 O ALA A 26 3.434 -0.207 7.272 1.00 0.00 O ATOM 354 CB ALA A 26 3.165 -2.076 9.500 1.00 0.00 C ATOM 0 H ALA A 26 3.339 -3.239 7.173 1.00 0.00 H new ATOM 0 HA ALA A 26 1.166 -2.012 8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.015 -1.255 10.201 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.005 -3.024 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.183 -2.041 9.113 1.00 0.00 H new ATOM 360 N LEU A 27 1.223 0.122 7.524 1.00 0.00 N ATOM 361 CA LEU A 27 1.235 1.434 6.887 1.00 0.00 C ATOM 362 C LEU A 27 1.013 2.541 7.913 1.00 0.00 C ATOM 363 O LEU A 27 0.501 2.296 9.005 1.00 0.00 O ATOM 364 CB LEU A 27 0.158 1.506 5.803 1.00 0.00 C ATOM 365 CG LEU A 27 0.092 0.318 4.843 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.320 0.144 4.304 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.082 0.498 3.701 1.00 0.00 C ATOM 0 H LEU A 27 0.303 -0.184 7.842 1.00 0.00 H new ATOM 0 HA LEU A 27 2.214 1.579 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.812 1.609 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.319 2.412 5.218 1.00 0.00 H new ATOM 0 HG LEU A 27 0.363 -0.583 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.347 -0.706 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.006 -0.033 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.620 1.046 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.021 -0.357 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.843 1.409 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.092 0.571 4.103 1.00 0.00 H new ATOM 379 N VAL A 28 1.402 3.760 7.554 1.00 0.00 N ATOM 380 CA VAL A 28 1.243 4.906 8.442 1.00 0.00 C ATOM 381 C VAL A 28 1.016 6.188 7.650 1.00 0.00 C ATOM 382 O VAL A 28 1.215 6.222 6.436 1.00 0.00 O ATOM 383 CB VAL A 28 2.474 5.087 9.350 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.409 4.135 10.534 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.755 4.878 8.557 1.00 0.00 C ATOM 0 H VAL A 28 1.830 3.980 6.654 1.00 0.00 H new ATOM 0 HA VAL A 28 0.369 4.707 9.062 1.00 0.00 H new ATOM 0 HB VAL A 28 2.474 6.107 9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.287 4.277 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.509 4.337 11.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.384 3.107 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.615 5.010 9.214 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.766 3.870 8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.803 5.604 7.746 1.00 0.00 H new ATOM 395 N GLU A 29 0.600 7.242 8.346 1.00 0.00 N ATOM 396 CA GLU A 29 0.346 8.527 7.706 1.00 0.00 C ATOM 397 C GLU A 29 1.613 9.376 7.668 1.00 0.00 C ATOM 398 O GLU A 29 2.182 9.708 8.708 1.00 0.00 O ATOM 399 CB GLU A 29 -0.763 9.279 8.445 1.00 0.00 C ATOM 400 CG GLU A 29 -0.426 9.592 9.893 1.00 0.00 C ATOM 401 CD GLU A 29 0.271 10.930 10.054 1.00 0.00 C ATOM 402 OE1 GLU A 29 -0.040 11.858 9.279 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.127 11.047 10.956 1.00 0.00 O ATOM 0 H GLU A 29 0.432 7.231 9.352 1.00 0.00 H new ATOM 0 HA GLU A 29 0.026 8.337 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.971 10.211 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.676 8.685 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.342 9.590 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.212 8.804 10.292 1.00 0.00 H new ATOM 522 N THR A 38 0.109 11.167 2.651 1.00 0.00 N ATOM 523 CA THR A 38 0.418 9.999 1.835 1.00 0.00 C ATOM 524 C THR A 38 0.619 8.761 2.701 1.00 0.00 C ATOM 525 O THR A 38 1.006 8.861 3.864 1.00 0.00 O ATOM 526 CB THR A 38 1.682 10.227 0.985 1.00 0.00 C ATOM 527 OG1 THR A 38 2.700 10.850 1.777 1.00 0.00 O ATOM 528 CG2 THR A 38 1.372 11.096 -0.225 1.00 0.00 C ATOM 0 HA THR A 38 -0.433 9.842 1.173 1.00 0.00 H new ATOM 0 HB THR A 38 2.036 9.257 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.287 11.475 2.408 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.280 11.243 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.619 10.606 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.995 12.063 0.108 1.00 0.00 H new ATOM 536 N ALA A 39 0.353 7.593 2.125 1.00 0.00 N ATOM 537 CA ALA A 39 0.507 6.334 2.844 1.00 0.00 C ATOM 538 C ALA A 39 1.906 5.759 2.650 1.00 0.00 C ATOM 539 O ALA A 39 2.342 5.527 1.522 1.00 0.00 O ATOM 540 CB ALA A 39 -0.545 5.334 2.388 1.00 0.00 C ATOM 0 H ALA A 39 0.030 7.493 1.163 1.00 0.00 H new ATOM 0 HA ALA A 39 0.368 6.531 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.418 4.399 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.539 5.736 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.433 5.150 1.320 1.00 0.00 H new ATOM 546 N VAL A 40 2.605 5.530 3.756 1.00 0.00 N ATOM 547 CA VAL A 40 3.955 4.981 3.708 1.00 0.00 C ATOM 548 C VAL A 40 4.068 3.723 4.561 1.00 0.00 C ATOM 549 O VAL A 40 3.596 3.688 5.699 1.00 0.00 O ATOM 550 CB VAL A 40 4.997 6.009 4.188 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.404 5.452 4.042 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.849 7.315 3.422 1.00 0.00 C ATOM 0 H VAL A 40 2.259 5.716 4.697 1.00 0.00 H new ATOM 0 HA VAL A 40 4.157 4.729 2.667 1.00 0.00 H new ATOM 0 HB VAL A 40 4.821 6.212 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.126 6.193 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.500 4.546 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.596 5.218 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.593 8.030 3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.997 7.131 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.851 7.721 3.585 1.00 0.00 H new ATOM 562 N ILE A 41 4.696 2.692 4.006 1.00 0.00 N ATOM 563 CA ILE A 41 4.872 1.432 4.717 1.00 0.00 C ATOM 564 C ILE A 41 5.718 1.622 5.971 1.00 0.00 C ATOM 565 O ILE A 41 6.939 1.754 5.894 1.00 0.00 O ATOM 566 CB ILE A 41 5.533 0.368 3.822 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.619 0.022 2.644 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.857 -0.879 4.632 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.299 -0.805 1.575 1.00 0.00 C ATOM 0 H ILE A 41 5.091 2.705 3.066 1.00 0.00 H new ATOM 0 HA ILE A 41 3.877 1.089 5.001 1.00 0.00 H new ATOM 0 HB ILE A 41 6.465 0.774 3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.751 -0.522 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.249 0.945 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.324 -1.622 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.541 -0.620 5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.938 -1.289 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.592 -1.013 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.151 -0.254 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.644 -1.745 2.007 1.00 0.00 H new ATOM 581 N ALA A 42 5.061 1.634 7.126 1.00 0.00 N ATOM 582 CA ALA A 42 5.753 1.804 8.398 1.00 0.00 C ATOM 583 C ALA A 42 6.637 0.600 8.707 1.00 0.00 C ATOM 584 O ALA A 42 7.733 0.746 9.245 1.00 0.00 O ATOM 585 CB ALA A 42 4.749 2.025 9.519 1.00 0.00 C ATOM 0 H ALA A 42 4.050 1.528 7.207 1.00 0.00 H new ATOM 0 HA ALA A 42 6.394 2.682 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.279 2.150 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.162 2.920 9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.085 1.163 9.588 1.00 0.00 H new ATOM 591 N ASN A 43 6.152 -0.589 8.362 1.00 0.00 N ATOM 592 CA ASN A 43 6.898 -1.818 8.604 1.00 0.00 C ATOM 593 C ASN A 43 6.248 -2.999 7.889 1.00 0.00 C ATOM 594 O ASN A 43 5.054 -2.976 7.589 1.00 0.00 O ATOM 595 CB ASN A 43 6.983 -2.101 10.105 1.00 0.00 C ATOM 596 CG ASN A 43 7.591 -3.457 10.405 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.787 -3.567 10.674 1.00 0.00 O ATOM 598 ND2 ASN A 43 6.768 -4.498 10.359 1.00 0.00 N ATOM 0 H ASN A 43 5.246 -0.727 7.914 1.00 0.00 H new ATOM 0 HA ASN A 43 7.905 -1.686 8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.579 -1.325 10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.984 -2.050 10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.121 -5.436 10.551 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.783 -4.360 10.132 1.00 0.00 H new ATOM 605 N LEU A 44 7.042 -4.029 7.619 1.00 0.00 N ATOM 606 CA LEU A 44 6.545 -5.220 6.939 1.00 0.00 C ATOM 607 C LEU A 44 6.909 -6.482 7.715 1.00 0.00 C ATOM 608 O LEU A 44 7.923 -6.524 8.413 1.00 0.00 O ATOM 609 CB LEU A 44 7.114 -5.298 5.522 1.00 0.00 C ATOM 610 CG LEU A 44 6.516 -4.326 4.504 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.889 -4.738 3.089 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.004 -4.254 4.660 1.00 0.00 C ATOM 0 H LEU A 44 8.032 -4.064 7.860 1.00 0.00 H new ATOM 0 HA LEU A 44 5.459 -5.149 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.189 -5.123 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.974 -6.313 5.151 1.00 0.00 H new ATOM 0 HG LEU A 44 6.928 -3.335 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.454 -4.035 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.974 -4.737 2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.506 -5.739 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.595 -3.558 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.574 -5.243 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.758 -3.910 5.665 1.00 0.00 H new ATOM 624 N LEU A 45 6.077 -7.509 7.588 1.00 0.00 N ATOM 625 CA LEU A 45 6.312 -8.774 8.276 1.00 0.00 C ATOM 626 C LEU A 45 7.009 -9.772 7.356 1.00 0.00 C ATOM 627 O LEU A 45 6.393 -10.328 6.446 1.00 0.00 O ATOM 628 CB LEU A 45 4.990 -9.360 8.774 1.00 0.00 C ATOM 629 CG LEU A 45 5.100 -10.514 9.771 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.826 -10.634 10.592 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.395 -11.819 9.046 1.00 0.00 C ATOM 0 H LEU A 45 5.233 -7.491 7.015 1.00 0.00 H new ATOM 0 HA LEU A 45 6.961 -8.580 9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.413 -8.560 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.421 -9.705 7.911 1.00 0.00 H new ATOM 0 HG LEU A 45 5.926 -10.304 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.923 -11.461 11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.658 -9.708 11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.982 -10.820 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.470 -12.629 9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.590 -12.035 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.336 -11.729 8.504 1.00 0.00 H new ATOM 643 N HIS A 46 8.296 -9.997 7.602 1.00 0.00 N ATOM 644 CA HIS A 46 9.076 -10.931 6.798 1.00 0.00 C ATOM 645 C HIS A 46 8.409 -12.303 6.760 1.00 0.00 C ATOM 646 O HIS A 46 8.709 -13.173 7.577 1.00 0.00 O ATOM 647 CB HIS A 46 10.494 -11.055 7.355 1.00 0.00 C ATOM 648 CG HIS A 46 11.434 -10.008 6.841 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.013 -8.903 6.132 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.780 -9.902 6.938 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.060 -8.163 5.814 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.144 -8.747 6.291 1.00 0.00 N ATOM 0 H HIS A 46 8.820 -9.545 8.351 1.00 0.00 H new ATOM 0 HA HIS A 46 9.126 -10.543 5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.455 -10.994 8.443 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.889 -12.040 7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.444 -10.596 7.432 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.034 -7.237 5.258 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.097 -8.397 6.194 1.00 0.00 H new ATOM 660 N GLY A 47 7.503 -12.489 5.805 1.00 0.00 N ATOM 661 CA GLY A 47 6.808 -13.757 5.678 1.00 0.00 C ATOM 662 C GLY A 47 5.406 -13.597 5.125 1.00 0.00 C ATOM 663 O GLY A 47 4.777 -14.572 4.718 1.00 0.00 O ATOM 0 H GLY A 47 7.238 -11.784 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.379 -14.417 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.757 -14.239 6.654 1.00 0.00 H new ATOM 667 N GLY A 48 4.914 -12.361 5.112 1.00 0.00 N ATOM 668 CA GLY A 48 3.579 -12.100 4.605 1.00 0.00 C ATOM 669 C GLY A 48 3.493 -12.247 3.099 1.00 0.00 C ATOM 670 O GLY A 48 4.497 -12.441 2.414 1.00 0.00 O ATOM 0 H GLY A 48 5.416 -11.537 5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.874 -12.786 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.277 -11.091 4.887 1.00 0.00 H new ATOM 674 N PRO A 49 2.267 -12.156 2.561 1.00 0.00 N ATOM 675 CA PRO A 49 2.024 -12.278 1.120 1.00 0.00 C ATOM 676 C PRO A 49 2.563 -11.086 0.338 1.00 0.00 C ATOM 677 O PRO A 49 2.885 -11.201 -0.844 1.00 0.00 O ATOM 678 CB PRO A 49 0.498 -12.336 1.022 1.00 0.00 C ATOM 679 CG PRO A 49 0.013 -11.635 2.244 1.00 0.00 C ATOM 680 CD PRO A 49 1.025 -11.925 3.317 1.00 0.00 C ATOM 0 HA PRO A 49 2.526 -13.147 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.141 -11.846 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.142 -13.366 0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.075 -10.563 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.975 -11.993 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.126 -11.090 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.746 -12.798 3.907 1.00 0.00 H new ATOM 688 N ALA A 50 2.661 -9.941 1.006 1.00 0.00 N ATOM 689 CA ALA A 50 3.164 -8.728 0.373 1.00 0.00 C ATOM 690 C ALA A 50 4.664 -8.572 0.599 1.00 0.00 C ATOM 691 O ALA A 50 5.389 -8.113 -0.283 1.00 0.00 O ATOM 692 CB ALA A 50 2.419 -7.510 0.900 1.00 0.00 C ATOM 0 H ALA A 50 2.399 -9.828 1.985 1.00 0.00 H new ATOM 0 HA ALA A 50 2.992 -8.809 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.805 -6.611 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.356 -7.611 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.562 -7.434 1.978 1.00 0.00 H new ATOM 698 N GLU A 51 5.122 -8.957 1.786 1.00 0.00 N ATOM 699 CA GLU A 51 6.536 -8.858 2.127 1.00 0.00 C ATOM 700 C GLU A 51 7.357 -9.878 1.344 1.00 0.00 C ATOM 701 O GLU A 51 8.486 -9.601 0.937 1.00 0.00 O ATOM 702 CB GLU A 51 6.737 -9.069 3.629 1.00 0.00 C ATOM 703 CG GLU A 51 8.192 -9.006 4.063 1.00 0.00 C ATOM 704 CD GLU A 51 8.958 -7.893 3.375 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.694 -6.712 3.682 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.823 -8.204 2.529 1.00 0.00 O ATOM 0 H GLU A 51 4.535 -9.340 2.527 1.00 0.00 H new ATOM 0 HA GLU A 51 6.879 -7.859 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.171 -8.312 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.324 -10.038 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.239 -8.861 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.673 -9.960 3.848 1.00 0.00 H new ATOM 713 N ARG A 52 6.783 -11.059 1.138 1.00 0.00 N ATOM 714 CA ARG A 52 7.461 -12.121 0.406 1.00 0.00 C ATOM 715 C ARG A 52 7.834 -11.660 -1.000 1.00 0.00 C ATOM 716 O ARG A 52 8.753 -12.198 -1.617 1.00 0.00 O ATOM 717 CB ARG A 52 6.573 -13.364 0.328 1.00 0.00 C ATOM 718 CG ARG A 52 5.419 -13.227 -0.652 1.00 0.00 C ATOM 719 CD ARG A 52 4.972 -14.582 -1.179 1.00 0.00 C ATOM 720 NE ARG A 52 4.697 -15.526 -0.100 1.00 0.00 N ATOM 721 CZ ARG A 52 4.343 -16.790 -0.302 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.223 -17.259 -1.536 1.00 0.00 N ATOM 723 NH2 ARG A 52 4.109 -17.588 0.733 1.00 0.00 N ATOM 0 H ARG A 52 5.850 -11.304 1.468 1.00 0.00 H new ATOM 0 HA ARG A 52 8.376 -12.370 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.184 -14.219 0.040 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.173 -13.578 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.581 -12.731 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.721 -12.593 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.077 -14.457 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.745 -14.991 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 52 4.781 -15.197 0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.403 -16.649 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.951 -18.230 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.201 -17.230 1.684 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.837 -18.559 0.577 1.00 0.00 H new ATOM 737 N SER A 53 7.114 -10.662 -1.500 1.00 0.00 N ATOM 738 CA SER A 53 7.366 -10.131 -2.835 1.00 0.00 C ATOM 739 C SER A 53 8.832 -9.741 -2.996 1.00 0.00 C ATOM 740 O SER A 53 9.440 -9.987 -4.037 1.00 0.00 O ATOM 741 CB SER A 53 6.471 -8.919 -3.102 1.00 0.00 C ATOM 742 OG SER A 53 6.985 -7.757 -2.476 1.00 0.00 O ATOM 0 H SER A 53 6.351 -10.204 -1.001 1.00 0.00 H new ATOM 0 HA SER A 53 7.134 -10.911 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.391 -8.752 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.464 -9.119 -2.735 1.00 0.00 H new ATOM 0 HG SER A 53 6.587 -7.662 -1.586 1.00 0.00 H new ATOM 748 N GLY A 54 9.393 -9.129 -1.957 1.00 0.00 N ATOM 749 CA GLY A 54 10.783 -8.714 -2.003 1.00 0.00 C ATOM 750 C GLY A 54 10.960 -7.352 -2.645 1.00 0.00 C ATOM 751 O GLY A 54 11.896 -6.623 -2.320 1.00 0.00 O ATOM 0 H GLY A 54 8.910 -8.913 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.186 -8.690 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.361 -9.452 -2.559 1.00 0.00 H new ATOM 755 N ALA A 55 10.059 -7.010 -3.560 1.00 0.00 N ATOM 756 CA ALA A 55 10.120 -5.726 -4.249 1.00 0.00 C ATOM 757 C ALA A 55 9.541 -4.611 -3.385 1.00 0.00 C ATOM 758 O ALA A 55 9.787 -3.430 -3.631 1.00 0.00 O ATOM 759 CB ALA A 55 9.383 -5.805 -5.578 1.00 0.00 C ATOM 0 H ALA A 55 9.279 -7.603 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 55 11.168 -5.494 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.436 -4.840 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.845 -6.568 -6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.339 -6.064 -5.400 1.00 0.00 H new ATOM 765 N LEU A 56 8.770 -4.993 -2.373 1.00 0.00 N ATOM 766 CA LEU A 56 8.155 -4.025 -1.472 1.00 0.00 C ATOM 767 C LEU A 56 8.814 -4.065 -0.097 1.00 0.00 C ATOM 768 O LEU A 56 8.894 -5.119 0.534 1.00 0.00 O ATOM 769 CB LEU A 56 6.656 -4.303 -1.339 1.00 0.00 C ATOM 770 CG LEU A 56 5.942 -4.754 -2.614 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.662 -5.500 -2.273 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.643 -3.559 -3.509 1.00 0.00 C ATOM 0 H LEU A 56 8.556 -5.966 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 56 8.298 -3.031 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.515 -5.069 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.170 -3.398 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 56 6.601 -5.433 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.167 -5.813 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.901 -6.378 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.998 -4.845 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.135 -3.899 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.004 -2.856 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.576 -3.066 -3.782 1.00 0.00 H new ATOM 784 N SER A 57 9.284 -2.909 0.362 1.00 0.00 N ATOM 785 CA SER A 57 9.938 -2.812 1.662 1.00 0.00 C ATOM 786 C SER A 57 9.576 -1.503 2.356 1.00 0.00 C ATOM 787 O SER A 57 8.799 -0.704 1.831 1.00 0.00 O ATOM 788 CB SER A 57 11.456 -2.914 1.501 1.00 0.00 C ATOM 789 OG SER A 57 11.953 -1.873 0.678 1.00 0.00 O ATOM 0 H SER A 57 9.224 -2.027 -0.147 1.00 0.00 H new ATOM 0 HA SER A 57 9.588 -3.639 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.933 -2.867 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.715 -3.880 1.067 1.00 0.00 H new ATOM 0 HG SER A 57 12.925 -1.960 0.592 1.00 0.00 H new ATOM 795 N ILE A 58 10.143 -1.291 3.538 1.00 0.00 N ATOM 796 CA ILE A 58 9.881 -0.078 4.304 1.00 0.00 C ATOM 797 C ILE A 58 10.260 1.167 3.509 1.00 0.00 C ATOM 798 O ILE A 58 11.416 1.345 3.129 1.00 0.00 O ATOM 799 CB ILE A 58 10.653 -0.077 5.637 1.00 0.00 C ATOM 800 CG1 ILE A 58 10.712 -1.491 6.218 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.002 0.881 6.624 1.00 0.00 C ATOM 802 CD1 ILE A 58 9.405 -2.245 6.109 1.00 0.00 C ATOM 0 H ILE A 58 10.787 -1.943 3.987 1.00 0.00 H new ATOM 0 HA ILE A 58 8.811 -0.061 4.513 1.00 0.00 H new ATOM 0 HB ILE A 58 11.672 0.261 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.491 -2.054 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.002 -1.432 7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.558 0.871 7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.007 1.889 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.974 0.570 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.521 -3.239 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.627 -1.704 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.124 -2.336 5.060 1.00 0.00 H new ATOM 814 N GLY A 59 9.276 2.027 3.263 1.00 0.00 N ATOM 815 CA GLY A 59 9.526 3.246 2.516 1.00 0.00 C ATOM 816 C GLY A 59 8.553 3.433 1.370 1.00 0.00 C ATOM 817 O GLY A 59 7.966 4.504 1.213 1.00 0.00 O ATOM 0 H GLY A 59 8.311 1.901 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.459 4.101 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.543 3.227 2.125 1.00 0.00 H new ATOM 821 N ASP A 60 8.382 2.391 0.564 1.00 0.00 N ATOM 822 CA ASP A 60 7.473 2.445 -0.575 1.00 0.00 C ATOM 823 C ASP A 60 6.172 3.147 -0.199 1.00 0.00 C ATOM 824 O ASP A 60 5.607 2.899 0.867 1.00 0.00 O ATOM 825 CB ASP A 60 7.177 1.035 -1.087 1.00 0.00 C ATOM 826 CG ASP A 60 8.413 0.345 -1.630 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.515 0.597 -1.099 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.278 -0.448 -2.585 1.00 0.00 O ATOM 0 H ASP A 60 8.861 1.498 0.678 1.00 0.00 H new ATOM 0 HA ASP A 60 7.957 3.016 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.757 0.438 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.420 1.087 -1.870 1.00 0.00 H new ATOM 833 N ARG A 61 5.701 4.023 -1.080 1.00 0.00 N ATOM 834 CA ARG A 61 4.468 4.762 -0.839 1.00 0.00 C ATOM 835 C ARG A 61 3.313 4.168 -1.641 1.00 0.00 C ATOM 836 O ARG A 61 3.337 4.159 -2.872 1.00 0.00 O ATOM 837 CB ARG A 61 4.651 6.236 -1.205 1.00 0.00 C ATOM 838 CG ARG A 61 3.369 7.047 -1.125 1.00 0.00 C ATOM 839 CD ARG A 61 2.549 6.922 -2.400 1.00 0.00 C ATOM 840 NE ARG A 61 1.747 8.116 -2.655 1.00 0.00 N ATOM 841 CZ ARG A 61 2.263 9.282 -3.027 1.00 0.00 C ATOM 842 NH1 ARG A 61 3.573 9.410 -3.187 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.468 10.322 -3.240 1.00 0.00 N ATOM 0 H ARG A 61 6.155 4.238 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 61 4.230 4.685 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.392 6.678 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.051 6.303 -2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.776 6.709 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.611 8.095 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.216 6.746 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.894 6.054 -2.326 1.00 0.00 H new ATOM 0 HE ARG A 61 0.735 8.051 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.187 8.612 -3.024 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.967 10.307 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.460 10.227 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.865 11.217 -3.526 1.00 0.00 H new ATOM 857 N LEU A 62 2.303 3.671 -0.934 1.00 0.00 N ATOM 858 CA LEU A 62 1.139 3.074 -1.579 1.00 0.00 C ATOM 859 C LEU A 62 0.202 4.151 -2.116 1.00 0.00 C ATOM 860 O LEU A 62 0.002 5.188 -1.483 1.00 0.00 O ATOM 861 CB LEU A 62 0.390 2.176 -0.593 1.00 0.00 C ATOM 862 CG LEU A 62 -0.914 1.561 -1.103 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.170 0.221 -0.431 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.080 2.510 -0.866 1.00 0.00 C ATOM 0 H LEU A 62 2.267 3.670 0.085 1.00 0.00 H new ATOM 0 HA LEU A 62 1.488 2.471 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.056 1.368 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.168 2.758 0.302 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.820 1.394 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.102 -0.202 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.348 -0.460 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.244 0.363 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.000 2.056 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.176 2.709 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.900 3.446 -1.394 1.00 0.00 H new ATOM 876 N THR A 63 -0.373 3.898 -3.288 1.00 0.00 N ATOM 877 CA THR A 63 -1.290 4.845 -3.910 1.00 0.00 C ATOM 878 C THR A 63 -2.710 4.293 -3.944 1.00 0.00 C ATOM 879 O THR A 63 -3.681 5.050 -3.948 1.00 0.00 O ATOM 880 CB THR A 63 -0.851 5.191 -5.345 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.010 4.050 -6.195 1.00 0.00 O ATOM 882 CG2 THR A 63 0.598 5.652 -5.371 1.00 0.00 C ATOM 0 H THR A 63 -0.220 3.045 -3.825 1.00 0.00 H new ATOM 0 HA THR A 63 -1.270 5.750 -3.303 1.00 0.00 H new ATOM 0 HB THR A 63 -1.480 6.003 -5.708 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.415 3.332 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.886 5.891 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.709 6.539 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.240 4.857 -4.990 1.00 0.00 H new ATOM 890 N ALA A 64 -2.826 2.969 -3.969 1.00 0.00 N ATOM 891 CA ALA A 64 -4.128 2.316 -4.000 1.00 0.00 C ATOM 892 C ALA A 64 -4.008 0.834 -3.658 1.00 0.00 C ATOM 893 O ALA A 64 -2.914 0.269 -3.682 1.00 0.00 O ATOM 894 CB ALA A 64 -4.775 2.493 -5.366 1.00 0.00 C ATOM 0 H ALA A 64 -2.033 2.328 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.760 2.786 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.747 2.000 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.905 3.555 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.137 2.050 -6.131 1.00 0.00 H new ATOM 900 N ILE A 65 -5.138 0.212 -3.339 1.00 0.00 N ATOM 901 CA ILE A 65 -5.158 -1.203 -2.993 1.00 0.00 C ATOM 902 C ILE A 65 -6.173 -1.963 -3.841 1.00 0.00 C ATOM 903 O ILE A 65 -7.380 -1.838 -3.642 1.00 0.00 O ATOM 904 CB ILE A 65 -5.491 -1.414 -1.503 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.288 -1.045 -0.633 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.911 -2.854 -1.253 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.565 -1.140 0.851 1.00 0.00 C ATOM 0 H ILE A 65 -6.051 0.666 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.159 -1.590 -3.193 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.323 -0.762 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.455 -1.702 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.975 -0.029 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.143 -2.987 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.793 -3.085 -1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.098 -3.524 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.669 -0.865 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.377 -0.462 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.849 -2.162 1.103 1.00 0.00 H new ATOM 919 N ASN A 66 -5.673 -2.752 -4.786 1.00 0.00 N ATOM 920 CA ASN A 66 -6.536 -3.533 -5.665 1.00 0.00 C ATOM 921 C ASN A 66 -7.574 -2.642 -6.340 1.00 0.00 C ATOM 922 O ASN A 66 -8.662 -3.096 -6.694 1.00 0.00 O ATOM 923 CB ASN A 66 -7.236 -4.640 -4.874 1.00 0.00 C ATOM 924 CG ASN A 66 -6.255 -5.623 -4.263 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.467 -6.835 -4.302 1.00 0.00 O ATOM 926 ND2 ASN A 66 -5.173 -5.102 -3.695 1.00 0.00 N ATOM 0 H ASN A 66 -4.675 -2.868 -4.963 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.913 -3.985 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.838 -4.193 -4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.921 -5.175 -5.532 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.477 -5.713 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.038 -4.091 -3.686 1.00 0.00 H new ATOM 933 N GLY A 67 -7.230 -1.370 -6.517 1.00 0.00 N ATOM 934 CA GLY A 67 -8.142 -0.436 -7.150 1.00 0.00 C ATOM 935 C GLY A 67 -8.621 0.642 -6.198 1.00 0.00 C ATOM 936 O GLY A 67 -9.071 1.705 -6.627 1.00 0.00 O ATOM 0 H GLY A 67 -6.336 -0.970 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.647 0.030 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.002 -0.980 -7.540 1.00 0.00 H new ATOM 940 N THR A 68 -8.525 0.369 -4.900 1.00 0.00 N ATOM 941 CA THR A 68 -8.955 1.322 -3.885 1.00 0.00 C ATOM 942 C THR A 68 -7.945 2.454 -3.731 1.00 0.00 C ATOM 943 O THR A 68 -6.916 2.295 -3.075 1.00 0.00 O ATOM 944 CB THR A 68 -9.153 0.637 -2.520 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.065 -0.460 -2.649 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.682 1.624 -1.491 1.00 0.00 C ATOM 0 H THR A 68 -8.153 -0.505 -4.528 1.00 0.00 H new ATOM 0 HA THR A 68 -9.908 1.732 -4.219 1.00 0.00 H new ATOM 0 HB THR A 68 -8.186 0.266 -2.181 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.587 -1.245 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.814 1.117 -0.535 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.972 2.442 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.640 2.021 -1.826 1.00 0.00 H new ATOM 954 N SER A 69 -8.247 3.596 -4.339 1.00 0.00 N ATOM 955 CA SER A 69 -7.364 4.755 -4.272 1.00 0.00 C ATOM 956 C SER A 69 -7.240 5.261 -2.838 1.00 0.00 C ATOM 957 O SER A 69 -8.186 5.815 -2.278 1.00 0.00 O ATOM 958 CB SER A 69 -7.885 5.873 -5.176 1.00 0.00 C ATOM 959 OG SER A 69 -9.287 6.027 -5.041 1.00 0.00 O ATOM 0 H SER A 69 -9.096 3.744 -4.884 1.00 0.00 H new ATOM 0 HA SER A 69 -6.377 4.449 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.387 6.810 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.639 5.650 -6.214 1.00 0.00 H new ATOM 0 HG SER A 69 -9.528 6.006 -4.091 1.00 0.00 H new ATOM 965 N LEU A 70 -6.065 5.065 -2.248 1.00 0.00 N ATOM 966 CA LEU A 70 -5.815 5.502 -0.879 1.00 0.00 C ATOM 967 C LEU A 70 -5.113 6.855 -0.858 1.00 0.00 C ATOM 968 O LEU A 70 -5.175 7.584 0.132 1.00 0.00 O ATOM 969 CB LEU A 70 -4.969 4.464 -0.139 1.00 0.00 C ATOM 970 CG LEU A 70 -5.695 3.190 0.294 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.762 2.284 1.082 1.00 0.00 C ATOM 972 CD2 LEU A 70 -6.929 3.533 1.116 1.00 0.00 C ATOM 0 H LEU A 70 -5.272 4.607 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.776 5.605 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.134 4.182 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.545 4.936 0.748 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.015 2.656 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.297 1.383 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.910 2.010 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.410 2.809 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.433 2.614 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.631 4.090 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.608 4.141 0.517 1.00 0.00 H new ATOM 984 N VAL A 71 -4.446 7.188 -1.959 1.00 0.00 N ATOM 985 CA VAL A 71 -3.735 8.456 -2.069 1.00 0.00 C ATOM 986 C VAL A 71 -4.656 9.631 -1.761 1.00 0.00 C ATOM 987 O VAL A 71 -5.411 10.084 -2.620 1.00 0.00 O ATOM 988 CB VAL A 71 -3.136 8.643 -3.476 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.221 8.543 -4.536 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.407 9.975 -3.571 1.00 0.00 C ATOM 0 H VAL A 71 -4.383 6.597 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.927 8.430 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.414 7.846 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.779 8.678 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.694 7.563 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.969 9.317 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.990 10.091 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.106 10.787 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.602 10.002 -2.837 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.587 10.121 -0.527 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.420 11.240 -0.126 1.00 0.00 C ATOM 1002 C GLY A 72 -6.400 10.871 0.969 1.00 0.00 C ATOM 1003 O GLY A 72 -7.490 11.438 1.055 1.00 0.00 O ATOM 0 H GLY A 72 -3.970 9.763 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.785 12.056 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.970 11.608 -0.992 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.015 9.916 1.808 1.00 0.00 N ATOM 1008 CA LEU A 73 -6.869 9.469 2.903 1.00 0.00 C ATOM 1009 C LEU A 73 -6.056 9.255 4.176 1.00 0.00 C ATOM 1010 O LEU A 73 -4.842 9.053 4.140 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.587 8.174 2.520 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.839 8.330 1.655 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.311 6.976 1.148 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -9.944 9.024 2.437 1.00 0.00 C ATOM 0 H LEU A 73 -5.117 9.436 1.751 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.610 10.246 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.881 7.534 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.865 7.652 3.436 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.587 8.949 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.202 7.108 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.524 6.517 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.545 6.332 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.827 9.127 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.194 8.432 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.604 10.012 2.749 1.00 0.00 H new ATOM 1026 N PRO A 74 -6.740 9.299 5.329 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.101 9.110 6.635 1.00 0.00 C ATOM 1028 C PRO A 74 -5.637 7.674 6.851 1.00 0.00 C ATOM 1029 O PRO A 74 -6.110 6.751 6.186 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.211 9.468 7.627 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.478 9.213 6.887 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.188 9.535 5.447 1.00 0.00 C ATOM 0 HA PRO A 74 -5.202 9.718 6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.149 8.857 8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.139 10.509 7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.793 8.176 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.286 9.835 7.271 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.756 8.896 4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.448 10.566 5.206 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.710 7.490 7.784 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.181 6.165 8.088 1.00 0.00 C ATOM 1042 C LEU A 75 -5.312 5.164 8.302 1.00 0.00 C ATOM 1043 O LEU A 75 -5.244 4.027 7.835 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.293 6.222 9.333 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.838 4.874 9.894 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.093 4.078 8.835 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -1.966 5.077 11.124 1.00 0.00 C ATOM 0 H LEU A 75 -4.309 8.242 8.344 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.584 5.835 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.408 6.812 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.832 6.755 10.116 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.721 4.307 10.188 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.777 3.122 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.750 3.902 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.217 4.638 8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.651 4.108 11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.087 5.663 10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.534 5.606 11.889 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.352 5.595 9.008 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.499 4.739 9.279 1.00 0.00 C ATOM 1061 C ALA A 76 -8.016 4.091 7.999 1.00 0.00 C ATOM 1062 O ALA A 76 -8.129 2.869 7.912 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.606 5.536 9.954 1.00 0.00 C ATOM 0 H ALA A 76 -6.423 6.533 9.403 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.176 3.945 9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.457 4.883 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.238 5.945 10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.918 6.351 9.301 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.329 4.919 7.007 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.833 4.427 5.731 1.00 0.00 C ATOM 1071 C ALA A 77 -7.977 3.277 5.210 1.00 0.00 C ATOM 1072 O ALA A 77 -8.496 2.222 4.842 1.00 0.00 O ATOM 1073 CB ALA A 77 -8.881 5.556 4.712 1.00 0.00 C ATOM 0 H ALA A 77 -8.242 5.934 7.063 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.844 4.051 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.259 5.174 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.540 6.345 5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.878 5.958 4.567 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.666 3.489 5.180 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.738 2.470 4.702 1.00 0.00 C ATOM 1081 C CYS A 78 -5.761 1.245 5.610 1.00 0.00 C ATOM 1082 O CYS A 78 -5.771 0.109 5.136 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.320 3.037 4.625 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.209 4.634 3.784 1.00 0.00 S ATOM 0 H CYS A 78 -6.222 4.357 5.481 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.054 2.166 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.927 3.143 5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.681 2.321 4.108 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.104 5.228 4.125 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.767 1.484 6.918 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.785 0.400 7.892 1.00 0.00 C ATOM 1092 C GLN A 79 -7.077 -0.405 7.787 1.00 0.00 C ATOM 1093 O GLN A 79 -7.124 -1.574 8.167 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.630 0.956 9.309 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.183 1.147 9.732 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.987 0.992 11.228 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.941 1.077 12.002 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.747 0.764 11.642 1.00 0.00 N ATOM 0 H GLN A 79 -5.760 2.418 7.327 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.947 -0.263 7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.148 1.913 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.119 0.281 10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.557 0.423 9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.847 2.138 9.426 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.987 0.701 10.965 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.554 0.651 12.637 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.123 0.230 7.270 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.415 -0.427 7.113 1.00 0.00 C ATOM 1109 C ALA A 80 -9.518 -1.118 5.759 1.00 0.00 C ATOM 1110 O ALA A 80 -10.202 -2.133 5.620 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.543 0.581 7.282 1.00 0.00 C ATOM 0 H ALA A 80 -8.101 1.199 6.953 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.505 -1.189 7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.502 0.077 7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.488 1.025 8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.448 1.363 6.529 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.837 -0.563 4.762 1.00 0.00 N ATOM 1118 CA ALA A 81 -8.851 -1.128 3.419 1.00 0.00 C ATOM 1119 C ALA A 81 -7.906 -2.321 3.314 1.00 0.00 C ATOM 1120 O ALA A 81 -8.157 -3.260 2.558 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.479 -0.066 2.395 1.00 0.00 C ATOM 0 H ALA A 81 -8.268 0.278 4.860 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.862 -1.479 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.494 -0.503 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.196 0.753 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.480 0.313 2.611 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.819 -2.277 4.077 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.836 -3.354 4.070 1.00 0.00 C ATOM 1129 C VAL A 82 -6.336 -4.559 4.859 1.00 0.00 C ATOM 1130 O VAL A 82 -6.084 -5.705 4.488 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.491 -2.890 4.660 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.670 -2.424 6.097 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.461 -4.006 4.578 1.00 0.00 C ATOM 0 H VAL A 82 -6.597 -1.507 4.708 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.688 -3.641 3.029 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.128 -2.047 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.709 -2.100 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.374 -1.592 6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.056 -3.246 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.517 -3.661 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.815 -4.870 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.312 -4.288 3.536 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.047 -4.291 5.950 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.583 -5.354 6.792 1.00 0.00 C ATOM 1145 C ARG A 83 -8.694 -6.111 6.072 1.00 0.00 C ATOM 1146 O ARG A 83 -8.955 -7.277 6.366 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.113 -4.775 8.105 1.00 0.00 C ATOM 1148 CG ARG A 83 -9.526 -4.224 8.000 1.00 0.00 C ATOM 1149 CD ARG A 83 -10.099 -3.897 9.370 1.00 0.00 C ATOM 1150 NE ARG A 83 -10.487 -5.099 10.103 1.00 0.00 N ATOM 1151 CZ ARG A 83 -11.566 -5.819 9.815 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -12.359 -5.460 8.815 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -11.852 -6.901 10.528 1.00 0.00 N ATOM 0 H ARG A 83 -7.265 -3.348 6.271 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.775 -6.052 7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.090 -5.551 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.446 -3.980 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.523 -3.326 7.382 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.166 -4.952 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.360 -3.342 9.949 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.967 -3.247 9.254 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.898 -5.402 10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.141 -4.629 8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.187 -6.015 8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.243 -7.180 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.680 -7.453 10.307 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.345 -5.439 5.127 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.429 -6.049 4.366 1.00 0.00 C ATOM 1169 C GLU A 84 -9.888 -7.071 3.371 1.00 0.00 C ATOM 1170 O GLU A 84 -10.402 -8.185 3.264 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.229 -4.975 3.626 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.356 -4.378 4.452 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.658 -5.141 4.302 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.638 -6.382 4.442 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -14.696 -4.497 4.044 1.00 0.00 O ATOM 0 H GLU A 84 -9.141 -4.473 4.871 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.086 -6.563 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.553 -4.177 3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.646 -5.407 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.065 -4.367 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.510 -3.341 4.153 1.00 0.00 H new ATOM 1182 N THR A 85 -8.844 -6.684 2.643 1.00 0.00 N ATOM 1183 CA THR A 85 -8.233 -7.565 1.655 1.00 0.00 C ATOM 1184 C THR A 85 -7.904 -8.925 2.260 1.00 0.00 C ATOM 1185 O THR A 85 -7.689 -9.901 1.541 1.00 0.00 O ATOM 1186 CB THR A 85 -6.947 -6.950 1.074 1.00 0.00 C ATOM 1187 OG1 THR A 85 -6.214 -6.281 2.106 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.272 -5.968 -0.041 1.00 0.00 C ATOM 0 H THR A 85 -8.405 -5.767 2.719 1.00 0.00 H new ATOM 0 HA THR A 85 -8.960 -7.693 0.853 1.00 0.00 H new ATOM 0 HB THR A 85 -6.340 -7.756 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.512 -6.605 2.982 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.347 -5.547 -0.436 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.804 -6.486 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.898 -5.166 0.351 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.867 -8.984 3.587 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.566 -10.225 4.290 1.00 0.00 C ATOM 1198 C LYS A 86 -8.474 -11.355 3.813 1.00 0.00 C ATOM 1199 O LYS A 86 -8.024 -12.483 3.613 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.726 -10.032 5.800 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.258 -11.223 6.618 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.596 -11.055 8.090 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.921 -12.119 8.942 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.257 -11.971 10.385 1.00 0.00 N ATOM 0 H LYS A 86 -8.042 -8.186 4.197 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.533 -10.495 4.071 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.166 -9.149 6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.775 -9.838 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.724 -12.132 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.181 -11.344 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.283 -10.066 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.676 -11.111 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.226 -13.107 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.841 -12.056 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.777 -12.715 10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.943 -11.038 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.286 -12.057 10.512 1.00 0.00 H new ATOM 1218 N SER A 87 -9.753 -11.043 3.630 1.00 0.00 N ATOM 1219 CA SER A 87 -10.724 -12.033 3.178 1.00 0.00 C ATOM 1220 C SER A 87 -10.357 -12.561 1.794 1.00 0.00 C ATOM 1221 O SER A 87 -10.461 -13.758 1.528 1.00 0.00 O ATOM 1222 CB SER A 87 -12.127 -11.425 3.149 1.00 0.00 C ATOM 1223 OG SER A 87 -12.630 -11.239 4.461 1.00 0.00 O ATOM 0 H SER A 87 -10.141 -10.113 3.788 1.00 0.00 H new ATOM 0 HA SER A 87 -10.711 -12.866 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.101 -10.468 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.797 -12.076 2.588 1.00 0.00 H new ATOM 0 HG SER A 87 -13.527 -10.848 4.415 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.928 -11.658 0.918 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.546 -12.033 -0.438 1.00 0.00 C ATOM 1231 C GLN A 88 -8.249 -12.835 -0.437 1.00 0.00 C ATOM 1232 O GLN A 88 -7.587 -12.965 0.593 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.387 -10.785 -1.309 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.417 -9.705 -1.018 1.00 0.00 C ATOM 1235 CD GLN A 88 -11.730 -10.271 -0.514 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -12.264 -11.226 -1.078 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -12.258 -9.682 0.553 1.00 0.00 N ATOM 0 H GLN A 88 -9.836 -10.663 1.123 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.337 -12.658 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.389 -10.373 -1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.460 -11.072 -2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.015 -9.015 -0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.599 -9.128 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.780 -8.893 0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.141 -10.019 0.937 1.00 0.00 H new ATOM 1246 N THR A 89 -7.891 -13.373 -1.599 1.00 0.00 N ATOM 1247 CA THR A 89 -6.674 -14.165 -1.732 1.00 0.00 C ATOM 1248 C THR A 89 -5.687 -13.499 -2.683 1.00 0.00 C ATOM 1249 O THR A 89 -4.623 -14.046 -2.971 1.00 0.00 O ATOM 1250 CB THR A 89 -6.981 -15.586 -2.241 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.642 -15.520 -3.510 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.853 -16.339 -1.248 1.00 0.00 C ATOM 0 H THR A 89 -8.427 -13.275 -2.462 1.00 0.00 H new ATOM 0 HA THR A 89 -6.230 -14.231 -0.739 1.00 0.00 H new ATOM 0 HB THR A 89 -6.038 -16.121 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.832 -16.427 -3.827 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.057 -17.340 -1.629 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.335 -16.413 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.793 -15.805 -1.111 1.00 0.00 H new ATOM 1260 N SER A 90 -6.046 -12.314 -3.168 1.00 0.00 N ATOM 1261 CA SER A 90 -5.192 -11.575 -4.090 1.00 0.00 C ATOM 1262 C SER A 90 -5.105 -10.105 -3.690 1.00 0.00 C ATOM 1263 O SER A 90 -6.115 -9.475 -3.374 1.00 0.00 O ATOM 1264 CB SER A 90 -5.723 -11.696 -5.519 1.00 0.00 C ATOM 1265 OG SER A 90 -7.031 -11.161 -5.624 1.00 0.00 O ATOM 0 H SER A 90 -6.922 -11.846 -2.938 1.00 0.00 H new ATOM 0 HA SER A 90 -4.192 -12.006 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.056 -11.172 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.730 -12.744 -5.820 1.00 0.00 H new ATOM 0 HG SER A 90 -7.347 -11.249 -6.547 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.891 -9.564 -3.707 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.671 -8.168 -3.348 1.00 0.00 C ATOM 1273 C VAL A 91 -2.652 -7.516 -4.275 1.00 0.00 C ATOM 1274 O VAL A 91 -1.487 -7.914 -4.313 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.186 -8.033 -1.892 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.704 -6.616 -1.619 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.291 -8.425 -0.923 1.00 0.00 C ATOM 0 H VAL A 91 -3.045 -10.071 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.629 -7.659 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.346 -8.712 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.365 -6.540 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.879 -6.377 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.522 -5.915 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.930 -8.323 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.152 -7.774 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.583 -9.459 -1.104 1.00 0.00 H new ATOM 1287 N THR A 92 -3.097 -6.510 -5.022 1.00 0.00 N ATOM 1288 CA THR A 92 -2.225 -5.803 -5.950 1.00 0.00 C ATOM 1289 C THR A 92 -1.873 -4.415 -5.425 1.00 0.00 C ATOM 1290 O THR A 92 -2.714 -3.516 -5.407 1.00 0.00 O ATOM 1291 CB THR A 92 -2.876 -5.664 -7.339 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.561 -6.874 -7.682 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.831 -5.349 -8.398 1.00 0.00 C ATOM 0 H THR A 92 -4.057 -6.167 -5.002 1.00 0.00 H new ATOM 0 HA THR A 92 -1.315 -6.396 -6.042 1.00 0.00 H new ATOM 0 HB THR A 92 -3.590 -4.841 -7.300 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.973 -6.777 -8.566 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.315 -5.256 -9.370 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.332 -4.412 -8.149 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.096 -6.153 -8.434 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.626 -4.248 -4.999 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.163 -2.968 -4.474 1.00 0.00 C ATOM 1303 C LEU A 93 0.363 -2.077 -5.595 1.00 0.00 C ATOM 1304 O LEU A 93 0.941 -2.562 -6.567 1.00 0.00 O ATOM 1305 CB LEU A 93 0.932 -3.190 -3.428 1.00 0.00 C ATOM 1306 CG LEU A 93 0.509 -3.936 -2.162 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.655 -3.985 -1.164 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.715 -3.280 -1.540 1.00 0.00 C ATOM 0 H LEU A 93 0.082 -4.982 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.010 -2.468 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.747 -3.742 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.331 -2.218 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 93 0.248 -4.958 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.336 -4.520 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.505 -4.501 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.947 -2.970 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.002 -3.824 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.482 -2.247 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.539 -3.298 -2.253 1.00 0.00 H new ATOM 1320 N SER A 94 0.159 -0.772 -5.452 1.00 0.00 N ATOM 1321 CA SER A 94 0.610 0.187 -6.453 1.00 0.00 C ATOM 1322 C SER A 94 1.424 1.304 -5.807 1.00 0.00 C ATOM 1323 O SER A 94 0.883 2.148 -5.093 1.00 0.00 O ATOM 1324 CB SER A 94 -0.587 0.779 -7.200 1.00 0.00 C ATOM 1325 OG SER A 94 -0.954 -0.035 -8.300 1.00 0.00 O ATOM 0 H SER A 94 -0.316 -0.354 -4.652 1.00 0.00 H new ATOM 0 HA SER A 94 1.247 -0.340 -7.163 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.432 0.878 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.341 1.781 -7.551 1.00 0.00 H new ATOM 0 HG SER A 94 -1.722 0.364 -8.760 1.00 0.00 H new ATOM 1331 N ILE A 95 2.728 1.303 -6.064 1.00 0.00 N ATOM 1332 CA ILE A 95 3.617 2.316 -5.510 1.00 0.00 C ATOM 1333 C ILE A 95 4.359 3.060 -6.615 1.00 0.00 C ATOM 1334 O ILE A 95 4.298 2.680 -7.784 1.00 0.00 O ATOM 1335 CB ILE A 95 4.644 1.696 -4.544 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.558 0.723 -5.293 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.935 0.989 -3.399 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.797 1.376 -5.864 1.00 0.00 C ATOM 0 H ILE A 95 3.192 0.611 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 95 2.991 3.018 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 95 5.257 2.495 -4.128 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.858 -0.076 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.995 0.259 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.674 0.556 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.322 1.706 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.300 0.198 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.398 0.627 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.506 2.156 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.382 1.816 -5.056 1.00 0.00 H new ATOM 1350 N VAL A 96 5.061 4.123 -6.236 1.00 0.00 N ATOM 1351 CA VAL A 96 5.818 4.920 -7.193 1.00 0.00 C ATOM 1352 C VAL A 96 7.299 4.557 -7.162 1.00 0.00 C ATOM 1353 O VAL A 96 7.896 4.433 -6.093 1.00 0.00 O ATOM 1354 CB VAL A 96 5.665 6.428 -6.915 1.00 0.00 C ATOM 1355 CG1 VAL A 96 6.493 7.240 -7.899 1.00 0.00 C ATOM 1356 CG2 VAL A 96 4.201 6.834 -6.975 1.00 0.00 C ATOM 0 H VAL A 96 5.121 4.452 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 96 5.412 4.697 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 96 6.035 6.634 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.372 8.302 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.544 6.968 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.157 7.033 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.111 7.902 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.803 6.614 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.638 6.277 -6.226 1.00 0.00 H new