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= -4.27! K(o=-4.8!,f=-1.6) USER MOD Set 1.2: A 92 THR OG1 : rot 160:sc= -0.507 USER MOD Set 2.1: A 66 ASN : amide:sc= -9.09! C(o=-11!,f=-6.4!) USER MOD Set 2.2: A 88 GLN : amide:sc= -1.66 K(o=-11,f=-6.4) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -162:sc= -2.67 (180deg=-3.51!) USER MOD Set 3.2: A 85 THR OG1 : rot -59:sc= 1.11 USER MOD Single : A 38 THR OG1 : rot -30:sc= 0.188 USER MOD Single : A 43 ASN : amide:sc= -0.0991 X(o=-0.099,f=-0.0002) USER MOD Single : A 46 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-0.79) USER MOD Single : A 53 SER OG : rot -95:sc= 0.248 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -72:sc= 0.09 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 79 GLN : amide:sc= -0.0966 K(o=-0.097,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -74:sc= 0.561 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00731 USER MOD Single : A 90 SER OG : rot 41:sc= 0.00193 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.950 1.472 -9.813 1.00 0.00 N ATOM 104 CA ARG A 11 4.410 0.103 -10.009 1.00 0.00 C ATOM 105 C ARG A 11 3.339 -0.897 -9.583 1.00 0.00 C ATOM 106 O ARG A 11 2.957 -0.951 -8.415 1.00 0.00 O ATOM 107 CB ARG A 11 5.697 -0.143 -9.219 1.00 0.00 C ATOM 108 CG ARG A 11 6.557 -1.260 -9.787 1.00 0.00 C ATOM 109 CD ARG A 11 7.739 -1.568 -8.883 1.00 0.00 C ATOM 110 NE ARG A 11 8.860 -2.142 -9.623 1.00 0.00 N ATOM 111 CZ ARG A 11 8.831 -3.346 -10.183 1.00 0.00 C ATOM 112 NH1 ARG A 11 7.744 -4.099 -10.088 1.00 0.00 N ATOM 113 NH2 ARG A 11 9.891 -3.799 -10.841 1.00 0.00 N ATOM 0 HA ARG A 11 4.611 -0.038 -11.071 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.281 0.777 -9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.440 -0.383 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.952 -2.157 -9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.918 -0.976 -10.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.063 -0.654 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.427 -2.262 -8.102 1.00 0.00 H new ATOM 0 HE ARG A 11 9.711 -1.588 -9.715 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.927 -3.754 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.725 -5.023 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.729 -3.222 -10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.868 -4.724 -11.271 1.00 0.00 H new ATOM 127 N GLU A 12 2.859 -1.686 -10.539 1.00 0.00 N ATOM 128 CA GLU A 12 1.832 -2.683 -10.262 1.00 0.00 C ATOM 129 C GLU A 12 2.457 -3.988 -9.778 1.00 0.00 C ATOM 130 O GLU A 12 3.088 -4.711 -10.549 1.00 0.00 O ATOM 131 CB GLU A 12 0.990 -2.941 -11.513 1.00 0.00 C ATOM 132 CG GLU A 12 -0.028 -4.056 -11.342 1.00 0.00 C ATOM 133 CD GLU A 12 -0.925 -4.218 -12.554 1.00 0.00 C ATOM 134 OE1 GLU A 12 -0.429 -4.048 -13.687 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.124 -4.516 -12.369 1.00 0.00 O ATOM 0 H GLU A 12 3.165 -1.654 -11.512 1.00 0.00 H new ATOM 0 HA GLU A 12 1.188 -2.294 -9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.469 -2.023 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.653 -3.189 -12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.494 -4.994 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.642 -3.851 -10.465 1.00 0.00 H new ATOM 142 N VAL A 13 2.275 -4.284 -8.494 1.00 0.00 N ATOM 143 CA VAL A 13 2.820 -5.502 -7.906 1.00 0.00 C ATOM 144 C VAL A 13 1.710 -6.388 -7.352 1.00 0.00 C ATOM 145 O VAL A 13 1.150 -6.109 -6.291 1.00 0.00 O ATOM 146 CB VAL A 13 3.819 -5.182 -6.778 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.423 -6.462 -6.221 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.906 -4.244 -7.279 1.00 0.00 C ATOM 0 H VAL A 13 1.755 -3.697 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 13 3.341 -6.033 -8.702 1.00 0.00 H new ATOM 0 HB VAL A 13 3.282 -4.681 -5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.126 -6.216 -5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.630 -7.095 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.946 -6.994 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.603 -4.029 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.442 -4.715 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.454 -3.315 -7.625 1.00 0.00 H new ATOM 158 N HIS A 14 1.398 -7.458 -8.076 1.00 0.00 N ATOM 159 CA HIS A 14 0.355 -8.387 -7.656 1.00 0.00 C ATOM 160 C HIS A 14 0.873 -9.332 -6.575 1.00 0.00 C ATOM 161 O HIS A 14 2.030 -9.752 -6.606 1.00 0.00 O ATOM 162 CB HIS A 14 -0.153 -9.192 -8.852 1.00 0.00 C ATOM 163 CG HIS A 14 -0.562 -8.341 -10.015 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.336 -7.832 -10.928 1.00 0.00 N ATOM 165 CD2 HIS A 14 -1.784 -7.913 -10.412 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.314 -7.125 -11.836 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.602 -7.159 -11.546 1.00 0.00 N ATOM 0 H HIS A 14 1.852 -7.703 -8.956 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.469 -7.806 -7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.627 -9.882 -9.173 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.004 -9.797 -8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.726 -8.125 -9.928 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.132 -6.608 -12.673 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.342 -6.700 -12.078 1.00 0.00 H new ATOM 175 N LEU A 15 0.009 -9.662 -5.622 1.00 0.00 N ATOM 176 CA LEU A 15 0.378 -10.558 -4.531 1.00 0.00 C ATOM 177 C LEU A 15 -0.647 -11.676 -4.373 1.00 0.00 C ATOM 178 O LEU A 15 -1.808 -11.523 -4.750 1.00 0.00 O ATOM 179 CB LEU A 15 0.502 -9.775 -3.222 1.00 0.00 C ATOM 180 CG LEU A 15 1.449 -8.574 -3.245 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.168 -7.651 -2.070 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.898 -9.037 -3.228 1.00 0.00 C ATOM 0 H LEU A 15 -0.952 -9.323 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 15 1.342 -11.006 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.490 -9.425 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.835 -10.460 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 15 1.278 -8.018 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.851 -6.802 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.140 -7.292 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.311 -8.196 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.557 -8.169 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.084 -9.617 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.092 -9.657 -4.103 1.00 0.00 H new ATOM 194 N GLU A 16 -0.209 -12.798 -3.810 1.00 0.00 N ATOM 195 CA GLU A 16 -1.090 -13.941 -3.601 1.00 0.00 C ATOM 196 C GLU A 16 -1.145 -14.323 -2.125 1.00 0.00 C ATOM 197 O GLU A 16 -0.198 -14.894 -1.583 1.00 0.00 O ATOM 198 CB GLU A 16 -0.617 -15.136 -4.431 1.00 0.00 C ATOM 199 CG GLU A 16 -0.882 -14.987 -5.920 1.00 0.00 C ATOM 200 CD GLU A 16 -0.335 -16.147 -6.729 1.00 0.00 C ATOM 201 OE1 GLU A 16 -0.573 -17.309 -6.338 1.00 0.00 O ATOM 202 OE2 GLU A 16 0.330 -15.892 -7.755 1.00 0.00 O ATOM 0 H GLU A 16 0.749 -12.940 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.092 -13.658 -3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.452 -15.276 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.113 -16.037 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.956 -14.906 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.434 -14.059 -6.274 1.00 0.00 H new ATOM 209 N LYS A 17 -2.261 -14.003 -1.478 1.00 0.00 N ATOM 210 CA LYS A 17 -2.442 -14.312 -0.065 1.00 0.00 C ATOM 211 C LYS A 17 -3.424 -15.465 0.119 1.00 0.00 C ATOM 212 O LYS A 17 -4.056 -15.912 -0.838 1.00 0.00 O ATOM 213 CB LYS A 17 -2.942 -13.077 0.688 1.00 0.00 C ATOM 214 CG LYS A 17 -4.453 -12.929 0.678 1.00 0.00 C ATOM 215 CD LYS A 17 -4.916 -11.863 1.658 1.00 0.00 C ATOM 216 CE LYS A 17 -4.824 -10.472 1.050 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.935 -9.407 2.086 1.00 0.00 N ATOM 0 H LYS A 17 -3.054 -13.529 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.476 -14.612 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.597 -13.127 1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.495 -12.187 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.787 -12.671 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.915 -13.883 0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.945 -12.064 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.307 -11.908 2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.876 -10.368 0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.616 -10.345 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.173 -8.503 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.681 -9.660 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.028 -9.314 2.587 1.00 0.00 H new ATOM 231 N ARG A 18 -3.547 -15.940 1.354 1.00 0.00 N ATOM 232 CA ARG A 18 -4.453 -17.040 1.662 1.00 0.00 C ATOM 233 C ARG A 18 -5.747 -16.521 2.282 1.00 0.00 C ATOM 234 O ARG A 18 -5.726 -15.635 3.136 1.00 0.00 O ATOM 235 CB ARG A 18 -3.780 -18.031 2.614 1.00 0.00 C ATOM 236 CG ARG A 18 -2.903 -19.053 1.909 1.00 0.00 C ATOM 237 CD ARG A 18 -3.737 -20.092 1.176 1.00 0.00 C ATOM 238 NE ARG A 18 -4.579 -20.861 2.089 1.00 0.00 N ATOM 239 CZ ARG A 18 -5.318 -21.897 1.709 1.00 0.00 C ATOM 240 NH1 ARG A 18 -5.319 -22.287 0.442 1.00 0.00 N ATOM 241 NH2 ARG A 18 -6.058 -22.547 2.599 1.00 0.00 N ATOM 0 H ARG A 18 -3.031 -15.581 2.157 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.696 -17.550 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.174 -17.478 3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.548 -18.555 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.248 -18.545 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.262 -19.548 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.364 -19.596 0.435 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.077 -20.769 0.634 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.601 -20.588 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.751 -21.791 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.888 -23.083 0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.059 -22.251 3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.625 -23.343 2.307 1.00 0.00 H new ATOM 255 N ARG A 19 -6.872 -17.079 1.845 1.00 0.00 N ATOM 256 CA ARG A 19 -8.175 -16.672 2.356 1.00 0.00 C ATOM 257 C ARG A 19 -8.159 -16.582 3.879 1.00 0.00 C ATOM 258 O ARG A 19 -7.874 -17.562 4.565 1.00 0.00 O ATOM 259 CB ARG A 19 -9.254 -17.658 1.904 1.00 0.00 C ATOM 260 CG ARG A 19 -10.660 -17.082 1.945 1.00 0.00 C ATOM 261 CD ARG A 19 -11.029 -16.418 0.628 1.00 0.00 C ATOM 262 NE ARG A 19 -12.141 -15.483 0.780 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.408 -15.862 0.904 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.722 -17.150 0.896 1.00 0.00 N ATOM 265 NH2 ARG A 19 -14.365 -14.952 1.038 1.00 0.00 N ATOM 0 H ARG A 19 -6.907 -17.814 1.138 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.402 -15.685 1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.033 -17.984 0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.214 -18.543 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.373 -17.876 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.733 -16.354 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.162 -15.889 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.295 -17.183 -0.102 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.933 -14.484 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.990 -17.853 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.696 -17.438 0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.128 -13.960 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.337 -15.245 1.133 1.00 0.00 H new ATOM 279 N GLY A 20 -8.466 -15.398 4.400 1.00 0.00 N ATOM 280 CA GLY A 20 -8.479 -15.202 5.838 1.00 0.00 C ATOM 281 C GLY A 20 -7.087 -15.036 6.414 1.00 0.00 C ATOM 282 O GLY A 20 -6.842 -15.379 7.570 1.00 0.00 O ATOM 0 H GLY A 20 -8.706 -14.572 3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.075 -14.321 6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.966 -16.054 6.313 1.00 0.00 H new ATOM 286 N GLU A 21 -6.173 -14.509 5.605 1.00 0.00 N ATOM 287 CA GLU A 21 -4.797 -14.300 6.042 1.00 0.00 C ATOM 288 C GLU A 21 -4.459 -12.813 6.085 1.00 0.00 C ATOM 289 O GLU A 21 -4.555 -12.114 5.077 1.00 0.00 O ATOM 290 CB GLU A 21 -3.827 -15.028 5.109 1.00 0.00 C ATOM 291 CG GLU A 21 -2.365 -14.817 5.465 1.00 0.00 C ATOM 292 CD GLU A 21 -1.936 -15.627 6.673 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.222 -16.842 6.705 1.00 0.00 O ATOM 294 OE2 GLU A 21 -1.314 -15.045 7.587 1.00 0.00 O ATOM 0 H GLU A 21 -6.360 -14.219 4.645 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.697 -14.706 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.047 -16.095 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.996 -14.689 4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.744 -15.088 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.192 -13.759 5.662 1.00 0.00 H new ATOM 301 N GLY A 22 -4.064 -12.335 7.261 1.00 0.00 N ATOM 302 CA GLY A 22 -3.719 -10.934 7.415 1.00 0.00 C ATOM 303 C GLY A 22 -2.705 -10.471 6.388 1.00 0.00 C ATOM 304 O GLY A 22 -1.578 -10.967 6.349 1.00 0.00 O ATOM 0 H GLY A 22 -3.977 -12.893 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.622 -10.329 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.319 -10.769 8.416 1.00 0.00 H new ATOM 308 N LEU A 23 -3.105 -9.519 5.552 1.00 0.00 N ATOM 309 CA LEU A 23 -2.223 -8.990 4.517 1.00 0.00 C ATOM 310 C LEU A 23 -0.789 -8.886 5.025 1.00 0.00 C ATOM 311 O LEU A 23 0.163 -8.973 4.250 1.00 0.00 O ATOM 312 CB LEU A 23 -2.714 -7.616 4.055 1.00 0.00 C ATOM 313 CG LEU A 23 -2.404 -7.246 2.604 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.725 -5.782 2.347 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.947 -7.541 2.278 1.00 0.00 C ATOM 0 H LEU A 23 -4.034 -9.098 5.570 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.240 -9.678 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.794 -7.571 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.275 -6.858 4.704 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.031 -7.854 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.498 -5.536 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.783 -5.602 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.125 -5.156 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.744 -7.272 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.302 -6.960 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.750 -8.603 2.422 1.00 0.00 H new ATOM 327 N GLY A 24 -0.642 -8.701 6.334 1.00 0.00 N ATOM 328 CA GLY A 24 0.680 -8.590 6.923 1.00 0.00 C ATOM 329 C GLY A 24 1.437 -7.375 6.425 1.00 0.00 C ATOM 330 O GLY A 24 2.490 -7.504 5.801 1.00 0.00 O ATOM 0 H GLY A 24 -1.414 -8.626 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.588 -8.537 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.252 -9.489 6.695 1.00 0.00 H new ATOM 334 N VAL A 25 0.899 -6.191 6.700 1.00 0.00 N ATOM 335 CA VAL A 25 1.531 -4.947 6.275 1.00 0.00 C ATOM 336 C VAL A 25 1.232 -3.817 7.253 1.00 0.00 C ATOM 337 O VAL A 25 0.140 -3.743 7.817 1.00 0.00 O ATOM 338 CB VAL A 25 1.061 -4.531 4.868 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.674 -5.437 3.811 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.458 -4.554 4.786 1.00 0.00 C ATOM 0 H VAL A 25 0.027 -6.067 7.215 1.00 0.00 H new ATOM 0 HA VAL A 25 2.605 -5.129 6.252 1.00 0.00 H new ATOM 0 HB VAL A 25 1.397 -3.512 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.331 -5.128 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.761 -5.365 3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.370 -6.468 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.773 -4.258 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.819 -5.561 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.872 -3.860 5.517 1.00 0.00 H new ATOM 350 N ALA A 26 2.209 -2.938 7.450 1.00 0.00 N ATOM 351 CA ALA A 26 2.050 -1.809 8.358 1.00 0.00 C ATOM 352 C ALA A 26 2.280 -0.486 7.636 1.00 0.00 C ATOM 353 O ALA A 26 3.402 -0.171 7.238 1.00 0.00 O ATOM 354 CB ALA A 26 3.003 -1.942 9.537 1.00 0.00 C ATOM 0 H ALA A 26 3.119 -2.986 6.993 1.00 0.00 H new ATOM 0 HA ALA A 26 1.025 -1.816 8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.874 -1.092 10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.789 -2.865 10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.030 -1.964 9.174 1.00 0.00 H new ATOM 360 N LEU A 27 1.211 0.284 7.468 1.00 0.00 N ATOM 361 CA LEU A 27 1.296 1.574 6.792 1.00 0.00 C ATOM 362 C LEU A 27 1.136 2.721 7.785 1.00 0.00 C ATOM 363 O LEU A 27 0.715 2.516 8.923 1.00 0.00 O ATOM 364 CB LEU A 27 0.226 1.673 5.703 1.00 0.00 C ATOM 365 CG LEU A 27 0.030 0.427 4.838 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.410 0.331 4.359 1.00 0.00 C ATOM 367 CD2 LEU A 27 0.988 0.444 3.656 1.00 0.00 C ATOM 0 H LEU A 27 0.275 0.038 7.790 1.00 0.00 H new ATOM 0 HA LEU A 27 2.281 1.651 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.725 1.915 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.478 2.508 5.050 1.00 0.00 H new ATOM 0 HG LEU A 27 0.248 -0.452 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.530 -0.562 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.077 0.272 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.657 1.213 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.835 -0.450 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.801 1.330 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.015 0.464 4.020 1.00 0.00 H new ATOM 379 N VAL A 28 1.472 3.929 7.344 1.00 0.00 N ATOM 380 CA VAL A 28 1.362 5.110 8.193 1.00 0.00 C ATOM 381 C VAL A 28 1.108 6.362 7.362 1.00 0.00 C ATOM 382 O VAL A 28 0.967 6.291 6.141 1.00 0.00 O ATOM 383 CB VAL A 28 2.635 5.316 9.035 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.640 4.377 10.232 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.877 5.112 8.181 1.00 0.00 C ATOM 0 H VAL A 28 1.822 4.116 6.404 1.00 0.00 H new ATOM 0 HA VAL A 28 0.517 4.943 8.860 1.00 0.00 H new ATOM 0 HB VAL A 28 2.643 6.341 9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.547 4.536 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.768 4.577 10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.609 3.344 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.767 5.261 8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.879 4.099 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.876 5.829 7.360 1.00 0.00 H new ATOM 395 N GLU A 29 1.051 7.509 8.032 1.00 0.00 N ATOM 396 CA GLU A 29 0.813 8.778 7.354 1.00 0.00 C ATOM 397 C GLU A 29 2.116 9.551 7.172 1.00 0.00 C ATOM 398 O GLU A 29 2.948 9.608 8.078 1.00 0.00 O ATOM 399 CB GLU A 29 -0.188 9.624 8.143 1.00 0.00 C ATOM 400 CG GLU A 29 -1.636 9.368 7.760 1.00 0.00 C ATOM 401 CD GLU A 29 -2.607 9.757 8.858 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.270 9.560 10.045 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.704 10.257 8.532 1.00 0.00 O ATOM 0 H GLU A 29 1.166 7.585 9.043 1.00 0.00 H new ATOM 0 HA GLU A 29 0.398 8.562 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.061 9.423 9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.039 10.679 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.873 9.928 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.764 8.312 7.524 1.00 0.00 H new ATOM 522 N THR A 38 0.501 11.091 1.719 1.00 0.00 N ATOM 523 CA THR A 38 0.628 9.826 1.007 1.00 0.00 C ATOM 524 C THR A 38 0.809 8.664 1.977 1.00 0.00 C ATOM 525 O THR A 38 1.202 8.859 3.127 1.00 0.00 O ATOM 526 CB THR A 38 1.815 9.851 0.025 1.00 0.00 C ATOM 527 OG1 THR A 38 2.997 10.300 0.697 1.00 0.00 O ATOM 528 CG2 THR A 38 1.520 10.761 -1.157 1.00 0.00 C ATOM 0 HA THR A 38 -0.296 9.685 0.445 1.00 0.00 H new ATOM 0 HB THR A 38 1.972 8.839 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.750 10.919 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.372 10.763 -1.837 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.637 10.399 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.339 11.775 -0.800 1.00 0.00 H new ATOM 536 N ALA A 39 0.522 7.455 1.506 1.00 0.00 N ATOM 537 CA ALA A 39 0.656 6.262 2.332 1.00 0.00 C ATOM 538 C ALA A 39 2.052 5.661 2.205 1.00 0.00 C ATOM 539 O ALA A 39 2.516 5.368 1.103 1.00 0.00 O ATOM 540 CB ALA A 39 -0.399 5.234 1.950 1.00 0.00 C ATOM 0 H ALA A 39 0.195 7.276 0.556 1.00 0.00 H new ATOM 0 HA ALA A 39 0.506 6.552 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.287 4.348 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.392 5.659 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.275 4.957 0.903 1.00 0.00 H new ATOM 546 N VAL A 40 2.719 5.481 3.341 1.00 0.00 N ATOM 547 CA VAL A 40 4.063 4.915 3.357 1.00 0.00 C ATOM 548 C VAL A 40 4.136 3.701 4.276 1.00 0.00 C ATOM 549 O VAL A 40 3.698 3.753 5.426 1.00 0.00 O ATOM 550 CB VAL A 40 5.104 5.954 3.813 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.513 5.401 3.661 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.943 7.248 3.029 1.00 0.00 C ATOM 0 H VAL A 40 2.351 5.719 4.262 1.00 0.00 H new ATOM 0 HA VAL A 40 4.290 4.609 2.336 1.00 0.00 H new ATOM 0 HB VAL A 40 4.937 6.171 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.235 6.149 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.619 4.504 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.696 5.153 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.687 7.971 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.083 7.049 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.944 7.652 3.194 1.00 0.00 H new ATOM 562 N ILE A 41 4.693 2.610 3.762 1.00 0.00 N ATOM 563 CA ILE A 41 4.826 1.382 4.538 1.00 0.00 C ATOM 564 C ILE A 41 5.721 1.595 5.755 1.00 0.00 C ATOM 565 O ILE A 41 6.933 1.762 5.625 1.00 0.00 O ATOM 566 CB ILE A 41 5.402 0.237 3.685 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.475 -0.068 2.507 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.610 -1.006 4.538 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.042 -1.080 1.537 1.00 0.00 C ATOM 0 H ILE A 41 5.060 2.551 2.812 1.00 0.00 H new ATOM 0 HA ILE A 41 3.825 1.108 4.870 1.00 0.00 H new ATOM 0 HB ILE A 41 6.369 0.549 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.524 -0.438 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.265 0.858 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.018 -1.807 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.306 -0.780 5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.656 -1.322 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.331 -1.247 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.979 -0.704 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.226 -2.020 2.058 1.00 0.00 H new ATOM 581 N ALA A 42 5.114 1.585 6.937 1.00 0.00 N ATOM 582 CA ALA A 42 5.856 1.773 8.178 1.00 0.00 C ATOM 583 C ALA A 42 6.697 0.544 8.506 1.00 0.00 C ATOM 584 O ALA A 42 7.846 0.662 8.929 1.00 0.00 O ATOM 585 CB ALA A 42 4.901 2.083 9.322 1.00 0.00 C ATOM 0 H ALA A 42 4.111 1.449 7.062 1.00 0.00 H new ATOM 0 HA ALA A 42 6.532 2.618 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.468 2.221 10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.347 2.995 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.202 1.256 9.447 1.00 0.00 H new ATOM 591 N ASN A 43 6.116 -0.635 8.308 1.00 0.00 N ATOM 592 CA ASN A 43 6.813 -1.886 8.585 1.00 0.00 C ATOM 593 C ASN A 43 6.131 -3.055 7.880 1.00 0.00 C ATOM 594 O ASN A 43 4.940 -2.999 7.570 1.00 0.00 O ATOM 595 CB ASN A 43 6.863 -2.144 10.092 1.00 0.00 C ATOM 596 CG ASN A 43 8.093 -2.929 10.504 1.00 0.00 C ATOM 597 OD1 ASN A 43 7.988 -4.028 11.048 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.268 -2.367 10.245 1.00 0.00 N ATOM 0 H ASN A 43 5.165 -0.750 7.957 1.00 0.00 H new ATOM 0 HA ASN A 43 7.831 -1.798 8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.849 -1.191 10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.969 -2.690 10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.131 -2.848 10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.308 -1.454 9.792 1.00 0.00 H new ATOM 605 N LEU A 44 6.894 -4.113 7.629 1.00 0.00 N ATOM 606 CA LEU A 44 6.365 -5.297 6.961 1.00 0.00 C ATOM 607 C LEU A 44 6.851 -6.571 7.645 1.00 0.00 C ATOM 608 O LEU A 44 8.026 -6.691 7.994 1.00 0.00 O ATOM 609 CB LEU A 44 6.779 -5.304 5.489 1.00 0.00 C ATOM 610 CG LEU A 44 6.214 -4.175 4.627 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.655 -4.335 3.181 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.696 -4.138 4.723 1.00 0.00 C ATOM 0 H LEU A 44 7.881 -4.175 7.878 1.00 0.00 H new ATOM 0 HA LEU A 44 5.277 -5.265 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.867 -5.263 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.475 -6.255 5.051 1.00 0.00 H new ATOM 0 HG LEU A 44 6.604 -3.229 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.243 -3.522 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.743 -4.309 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.295 -5.288 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.312 -3.328 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.286 -5.087 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.401 -3.973 5.759 1.00 0.00 H new ATOM 624 N LEU A 45 5.941 -7.521 7.831 1.00 0.00 N ATOM 625 CA LEU A 45 6.278 -8.788 8.470 1.00 0.00 C ATOM 626 C LEU A 45 7.053 -9.691 7.516 1.00 0.00 C ATOM 627 O LEU A 45 6.464 -10.408 6.706 1.00 0.00 O ATOM 628 CB LEU A 45 5.007 -9.498 8.941 1.00 0.00 C ATOM 629 CG LEU A 45 5.213 -10.705 9.857 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.922 -11.050 10.583 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.714 -11.900 9.059 1.00 0.00 C ATOM 0 H LEU A 45 4.964 -7.438 7.548 1.00 0.00 H new ATOM 0 HA LEU A 45 6.910 -8.574 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.382 -8.773 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.450 -9.825 8.063 1.00 0.00 H new ATOM 0 HG LEU A 45 5.967 -10.448 10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.088 -11.911 11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.605 -10.199 11.186 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.147 -11.287 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.855 -12.750 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.983 -12.158 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.663 -11.649 8.585 1.00 0.00 H new ATOM 643 N HIS A 46 8.378 -9.652 7.617 1.00 0.00 N ATOM 644 CA HIS A 46 9.235 -10.468 6.765 1.00 0.00 C ATOM 645 C HIS A 46 8.691 -11.889 6.650 1.00 0.00 C ATOM 646 O HIS A 46 8.985 -12.746 7.483 1.00 0.00 O ATOM 647 CB HIS A 46 10.660 -10.498 7.318 1.00 0.00 C ATOM 648 CG HIS A 46 11.472 -9.296 6.944 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.076 -8.388 5.986 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.665 -8.856 7.408 1.00 0.00 C ATOM 651 CE1 HIS A 46 11.990 -7.441 5.875 1.00 0.00 C ATOM 652 NE2 HIS A 46 12.965 -7.701 6.728 1.00 0.00 N ATOM 0 H HIS A 46 8.881 -9.064 8.281 1.00 0.00 H new ATOM 0 HA HIS A 46 9.249 -10.021 5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.618 -10.574 8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.163 -11.394 6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.268 -9.326 8.171 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.948 -6.598 5.202 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.804 -7.136 6.860 1.00 0.00 H new ATOM 660 N GLY A 47 7.896 -12.132 5.613 1.00 0.00 N ATOM 661 CA GLY A 47 7.323 -13.449 5.409 1.00 0.00 C ATOM 662 C GLY A 47 5.873 -13.390 4.970 1.00 0.00 C ATOM 663 O GLY A 47 5.279 -14.411 4.626 1.00 0.00 O ATOM 0 H GLY A 47 7.638 -11.439 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.905 -13.983 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.396 -14.021 6.334 1.00 0.00 H new ATOM 667 N GLY A 48 5.302 -12.190 4.982 1.00 0.00 N ATOM 668 CA GLY A 48 3.917 -12.024 4.581 1.00 0.00 C ATOM 669 C GLY A 48 3.723 -12.182 3.086 1.00 0.00 C ATOM 670 O GLY A 48 4.679 -12.348 2.328 1.00 0.00 O ATOM 0 H GLY A 48 5.773 -11.330 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.301 -12.756 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.569 -11.037 4.887 1.00 0.00 H new ATOM 674 N PRO A 49 2.458 -12.133 2.641 1.00 0.00 N ATOM 675 CA PRO A 49 2.112 -12.272 1.223 1.00 0.00 C ATOM 676 C PRO A 49 2.553 -11.067 0.399 1.00 0.00 C ATOM 677 O PRO A 49 2.865 -11.194 -0.785 1.00 0.00 O ATOM 678 CB PRO A 49 0.585 -12.379 1.240 1.00 0.00 C ATOM 679 CG PRO A 49 0.170 -11.687 2.492 1.00 0.00 C ATOM 680 CD PRO A 49 1.269 -11.938 3.487 1.00 0.00 C ATOM 0 HA PRO A 49 2.608 -13.127 0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.145 -11.906 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.261 -13.420 1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.035 -10.619 2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.782 -12.075 2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.394 -11.096 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.063 -12.816 4.100 1.00 0.00 H new ATOM 688 N ALA A 50 2.575 -9.899 1.032 1.00 0.00 N ATOM 689 CA ALA A 50 2.980 -8.672 0.357 1.00 0.00 C ATOM 690 C ALA A 50 4.469 -8.404 0.551 1.00 0.00 C ATOM 691 O ALA A 50 5.085 -7.679 -0.230 1.00 0.00 O ATOM 692 CB ALA A 50 2.160 -7.495 0.864 1.00 0.00 C ATOM 0 H ALA A 50 2.317 -9.776 2.011 1.00 0.00 H new ATOM 0 HA ALA A 50 2.796 -8.796 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.473 -6.586 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.103 -7.676 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.315 -7.379 1.937 1.00 0.00 H new ATOM 698 N GLU A 51 5.040 -8.993 1.597 1.00 0.00 N ATOM 699 CA GLU A 51 6.457 -8.815 1.894 1.00 0.00 C ATOM 700 C GLU A 51 7.294 -9.893 1.211 1.00 0.00 C ATOM 701 O GLU A 51 8.409 -9.633 0.758 1.00 0.00 O ATOM 702 CB GLU A 51 6.693 -8.851 3.405 1.00 0.00 C ATOM 703 CG GLU A 51 8.146 -8.651 3.799 1.00 0.00 C ATOM 704 CD GLU A 51 8.751 -7.404 3.183 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.863 -7.352 1.940 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.112 -6.481 3.943 1.00 0.00 O ATOM 0 H GLU A 51 4.544 -9.597 2.252 1.00 0.00 H new ATOM 0 HA GLU A 51 6.764 -7.842 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.088 -8.077 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.348 -9.808 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.219 -8.587 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.725 -9.522 3.491 1.00 0.00 H new ATOM 713 N ARG A 52 6.749 -11.103 1.143 1.00 0.00 N ATOM 714 CA ARG A 52 7.446 -12.221 0.518 1.00 0.00 C ATOM 715 C ARG A 52 7.947 -11.840 -0.872 1.00 0.00 C ATOM 716 O ARG A 52 8.966 -12.350 -1.337 1.00 0.00 O ATOM 717 CB ARG A 52 6.523 -13.437 0.425 1.00 0.00 C ATOM 718 CG ARG A 52 5.294 -13.204 -0.438 1.00 0.00 C ATOM 719 CD ARG A 52 4.569 -14.506 -0.738 1.00 0.00 C ATOM 720 NE ARG A 52 5.093 -15.162 -1.933 1.00 0.00 N ATOM 721 CZ ARG A 52 4.800 -16.412 -2.274 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.992 -17.138 -1.513 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.316 -16.939 -3.377 1.00 0.00 N ATOM 0 H ARG A 52 5.827 -11.334 1.513 1.00 0.00 H new ATOM 0 HA ARG A 52 8.306 -12.474 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.085 -14.279 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.204 -13.718 1.429 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.616 -12.518 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.589 -12.727 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.663 -15.178 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.506 -14.306 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 52 5.718 -14.631 -2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.594 -16.737 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.768 -18.098 -1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.939 -16.384 -3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.090 -17.899 -3.638 1.00 0.00 H new ATOM 737 N SER A 53 7.222 -10.942 -1.531 1.00 0.00 N ATOM 738 CA SER A 53 7.590 -10.496 -2.870 1.00 0.00 C ATOM 739 C SER A 53 9.064 -10.107 -2.927 1.00 0.00 C ATOM 740 O SER A 53 9.774 -10.458 -3.868 1.00 0.00 O ATOM 741 CB SER A 53 6.720 -9.310 -3.292 1.00 0.00 C ATOM 742 OG SER A 53 7.040 -8.151 -2.543 1.00 0.00 O ATOM 0 H SER A 53 6.376 -10.509 -1.160 1.00 0.00 H new ATOM 0 HA SER A 53 7.424 -11.323 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.862 -9.111 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.668 -9.559 -3.152 1.00 0.00 H new ATOM 0 HG SER A 53 6.429 -8.075 -1.781 1.00 0.00 H new ATOM 748 N GLY A 54 9.517 -9.377 -1.912 1.00 0.00 N ATOM 749 CA GLY A 54 10.903 -8.951 -1.865 1.00 0.00 C ATOM 750 C GLY A 54 11.108 -7.577 -2.472 1.00 0.00 C ATOM 751 O GLY A 54 12.069 -6.883 -2.141 1.00 0.00 O ATOM 0 H GLY A 54 8.948 -9.073 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.242 -8.941 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.521 -9.675 -2.396 1.00 0.00 H new ATOM 755 N ALA A 55 10.204 -7.185 -3.363 1.00 0.00 N ATOM 756 CA ALA A 55 10.291 -5.885 -4.017 1.00 0.00 C ATOM 757 C ALA A 55 9.701 -4.788 -3.137 1.00 0.00 C ATOM 758 O ALA A 55 10.193 -3.659 -3.122 1.00 0.00 O ATOM 759 CB ALA A 55 9.581 -5.923 -5.363 1.00 0.00 C ATOM 0 H ALA A 55 9.403 -7.749 -3.649 1.00 0.00 H new ATOM 0 HA ALA A 55 11.344 -5.657 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.654 -4.946 -5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.049 -6.674 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.531 -6.177 -5.214 1.00 0.00 H new ATOM 765 N LEU A 56 8.645 -5.126 -2.406 1.00 0.00 N ATOM 766 CA LEU A 56 7.988 -4.168 -1.523 1.00 0.00 C ATOM 767 C LEU A 56 8.543 -4.264 -0.106 1.00 0.00 C ATOM 768 O LEU A 56 8.363 -5.274 0.575 1.00 0.00 O ATOM 769 CB LEU A 56 6.477 -4.411 -1.509 1.00 0.00 C ATOM 770 CG LEU A 56 5.838 -4.742 -2.858 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.623 -5.637 -2.667 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.454 -3.467 -3.593 1.00 0.00 C ATOM 0 H LEU A 56 8.225 -6.056 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 56 8.185 -3.166 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.267 -5.229 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.990 -3.523 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 56 6.568 -5.280 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.181 -5.862 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.927 -6.565 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.889 -5.126 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.001 -3.722 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.741 -2.902 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.345 -2.862 -3.763 1.00 0.00 H new ATOM 784 N SER A 57 9.217 -3.206 0.333 1.00 0.00 N ATOM 785 CA SER A 57 9.800 -3.171 1.669 1.00 0.00 C ATOM 786 C SER A 57 9.585 -1.809 2.321 1.00 0.00 C ATOM 787 O SER A 57 9.308 -0.820 1.641 1.00 0.00 O ATOM 788 CB SER A 57 11.296 -3.488 1.604 1.00 0.00 C ATOM 789 OG SER A 57 11.739 -4.105 2.800 1.00 0.00 O ATOM 0 H SER A 57 9.373 -2.361 -0.217 1.00 0.00 H new ATOM 0 HA SER A 57 9.301 -3.927 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.495 -4.145 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.858 -2.570 1.435 1.00 0.00 H new ATOM 0 HG SER A 57 12.697 -4.299 2.733 1.00 0.00 H new ATOM 795 N ILE A 58 9.715 -1.765 3.642 1.00 0.00 N ATOM 796 CA ILE A 58 9.536 -0.524 4.386 1.00 0.00 C ATOM 797 C ILE A 58 10.036 0.674 3.586 1.00 0.00 C ATOM 798 O ILE A 58 11.231 0.807 3.329 1.00 0.00 O ATOM 799 CB ILE A 58 10.272 -0.567 5.738 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.721 -1.699 6.608 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.143 0.769 6.455 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.415 -3.025 6.384 1.00 0.00 C ATOM 0 H ILE A 58 9.944 -2.574 4.220 1.00 0.00 H new ATOM 0 HA ILE A 58 8.467 -0.416 4.567 1.00 0.00 H new ATOM 0 HB ILE A 58 11.329 -0.757 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.818 -1.420 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.656 -1.816 6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.668 0.722 7.409 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.578 1.556 5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.090 0.987 6.631 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.973 -3.781 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.296 -3.326 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.476 -2.924 6.614 1.00 0.00 H new ATOM 814 N GLY A 59 9.111 1.546 3.196 1.00 0.00 N ATOM 815 CA GLY A 59 9.477 2.723 2.430 1.00 0.00 C ATOM 816 C GLY A 59 8.541 2.970 1.264 1.00 0.00 C ATOM 817 O GLY A 59 8.009 4.070 1.108 1.00 0.00 O ATOM 0 H GLY A 59 8.115 1.458 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.474 3.594 3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.495 2.608 2.057 1.00 0.00 H new ATOM 821 N ASP A 60 8.340 1.946 0.441 1.00 0.00 N ATOM 822 CA ASP A 60 7.462 2.058 -0.718 1.00 0.00 C ATOM 823 C ASP A 60 6.129 2.691 -0.331 1.00 0.00 C ATOM 824 O ASP A 60 5.451 2.224 0.584 1.00 0.00 O ATOM 825 CB ASP A 60 7.225 0.680 -1.339 1.00 0.00 C ATOM 826 CG ASP A 60 8.445 0.157 -2.071 1.00 0.00 C ATOM 827 OD1 ASP A 60 8.623 0.512 -3.255 1.00 0.00 O ATOM 828 OD2 ASP A 60 9.222 -0.607 -1.461 1.00 0.00 O ATOM 0 H ASP A 60 8.773 1.030 0.555 1.00 0.00 H new ATOM 0 HA ASP A 60 7.949 2.700 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.945 -0.025 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.386 0.737 -2.032 1.00 0.00 H new ATOM 833 N ARG A 61 5.761 3.757 -1.034 1.00 0.00 N ATOM 834 CA ARG A 61 4.510 4.456 -0.763 1.00 0.00 C ATOM 835 C ARG A 61 3.359 3.836 -1.550 1.00 0.00 C ATOM 836 O ARG A 61 3.477 3.588 -2.751 1.00 0.00 O ATOM 837 CB ARG A 61 4.643 5.939 -1.116 1.00 0.00 C ATOM 838 CG ARG A 61 4.435 6.235 -2.592 1.00 0.00 C ATOM 839 CD ARG A 61 2.974 6.516 -2.903 1.00 0.00 C ATOM 840 NE ARG A 61 2.820 7.420 -4.039 1.00 0.00 N ATOM 841 CZ ARG A 61 3.033 7.060 -5.300 1.00 0.00 C ATOM 842 NH1 ARG A 61 3.407 5.819 -5.584 1.00 0.00 N ATOM 843 NH2 ARG A 61 2.873 7.940 -6.279 1.00 0.00 N ATOM 0 H ARG A 61 6.311 4.156 -1.795 1.00 0.00 H new ATOM 0 HA ARG A 61 4.293 4.361 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.918 6.509 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.633 6.287 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.041 7.093 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.778 5.388 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.462 5.578 -3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.494 6.951 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 61 2.533 8.381 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.531 5.139 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.570 5.545 -6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.586 8.895 -6.064 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.037 7.662 -7.247 1.00 0.00 H new ATOM 857 N LEU A 62 2.248 3.588 -0.866 1.00 0.00 N ATOM 858 CA LEU A 62 1.075 2.997 -1.500 1.00 0.00 C ATOM 859 C LEU A 62 0.116 4.078 -1.987 1.00 0.00 C ATOM 860 O LEU A 62 -0.114 5.075 -1.301 1.00 0.00 O ATOM 861 CB LEU A 62 0.357 2.065 -0.522 1.00 0.00 C ATOM 862 CG LEU A 62 -0.857 1.318 -1.075 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.049 -0.002 -0.346 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.108 2.178 -0.964 1.00 0.00 C ATOM 0 H LEU A 62 2.135 3.787 0.128 1.00 0.00 H new ATOM 0 HA LEU A 62 1.411 2.420 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.075 1.331 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.036 2.652 0.339 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.679 1.104 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.918 -0.520 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.162 -0.622 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.205 0.188 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.962 1.631 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.290 2.423 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.969 3.097 -1.533 1.00 0.00 H new ATOM 876 N THR A 63 -0.444 3.874 -3.176 1.00 0.00 N ATOM 877 CA THR A 63 -1.379 4.830 -3.754 1.00 0.00 C ATOM 878 C THR A 63 -2.769 4.221 -3.900 1.00 0.00 C ATOM 879 O THR A 63 -3.773 4.932 -3.889 1.00 0.00 O ATOM 880 CB THR A 63 -0.899 5.322 -5.133 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.004 4.265 -6.093 1.00 0.00 O ATOM 882 CG2 THR A 63 0.540 5.809 -5.063 1.00 0.00 C ATOM 0 H THR A 63 -0.266 3.055 -3.757 1.00 0.00 H new ATOM 0 HA THR A 63 -1.427 5.678 -3.070 1.00 0.00 H new ATOM 0 HB THR A 63 -1.533 6.155 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.310 3.595 -5.920 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.857 6.151 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.611 6.633 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.185 4.993 -4.738 1.00 0.00 H new ATOM 890 N ALA A 64 -2.819 2.900 -4.037 1.00 0.00 N ATOM 891 CA ALA A 64 -4.087 2.195 -4.183 1.00 0.00 C ATOM 892 C ALA A 64 -3.912 0.698 -3.950 1.00 0.00 C ATOM 893 O ALA A 64 -2.822 0.155 -4.134 1.00 0.00 O ATOM 894 CB ALA A 64 -4.678 2.451 -5.561 1.00 0.00 C ATOM 0 H ALA A 64 -1.997 2.297 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.775 2.576 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.624 1.918 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.848 3.520 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.985 2.099 -6.325 1.00 0.00 H new ATOM 900 N ILE A 65 -4.991 0.037 -3.544 1.00 0.00 N ATOM 901 CA ILE A 65 -4.955 -1.397 -3.287 1.00 0.00 C ATOM 902 C ILE A 65 -5.972 -2.136 -4.152 1.00 0.00 C ATOM 903 O ILE A 65 -7.178 -2.030 -3.937 1.00 0.00 O ATOM 904 CB ILE A 65 -5.235 -1.710 -1.805 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.051 -1.278 -0.938 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.519 -3.194 -1.622 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.188 -1.679 0.514 1.00 0.00 C ATOM 0 H ILE A 65 -5.900 0.472 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.951 -1.738 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.115 -1.150 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.137 -1.713 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.942 -0.195 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.715 -3.400 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.390 -3.474 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.656 -3.773 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.313 -1.340 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.084 -1.222 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.266 -2.764 0.586 1.00 0.00 H new ATOM 919 N ASN A 66 -5.474 -2.886 -5.129 1.00 0.00 N ATOM 920 CA ASN A 66 -6.339 -3.644 -6.026 1.00 0.00 C ATOM 921 C ASN A 66 -7.431 -2.754 -6.611 1.00 0.00 C ATOM 922 O ASN A 66 -8.502 -3.231 -6.984 1.00 0.00 O ATOM 923 CB ASN A 66 -6.970 -4.824 -5.284 1.00 0.00 C ATOM 924 CG ASN A 66 -8.058 -4.386 -4.322 1.00 0.00 C ATOM 925 OD1 ASN A 66 -9.076 -3.829 -4.732 1.00 0.00 O ATOM 926 ND2 ASN A 66 -7.846 -4.638 -3.036 1.00 0.00 N ATOM 0 H ASN A 66 -4.477 -2.985 -5.320 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.727 -4.023 -6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.389 -5.523 -6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.196 -5.360 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.542 -4.367 -2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.987 -5.102 -2.742 1.00 0.00 H new ATOM 933 N GLY A 67 -7.151 -1.456 -6.689 1.00 0.00 N ATOM 934 CA GLY A 67 -8.118 -0.520 -7.229 1.00 0.00 C ATOM 935 C GLY A 67 -8.561 0.510 -6.208 1.00 0.00 C ATOM 936 O GLY A 67 -8.949 1.623 -6.565 1.00 0.00 O ATOM 0 H GLY A 67 -6.271 -1.037 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.685 -0.011 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.989 -1.069 -7.588 1.00 0.00 H new ATOM 940 N THR A 68 -8.507 0.138 -4.933 1.00 0.00 N ATOM 941 CA THR A 68 -8.908 1.035 -3.857 1.00 0.00 C ATOM 942 C THR A 68 -7.970 2.233 -3.761 1.00 0.00 C ATOM 943 O THR A 68 -6.949 2.180 -3.076 1.00 0.00 O ATOM 944 CB THR A 68 -8.936 0.309 -2.500 1.00 0.00 C ATOM 945 OG1 THR A 68 -9.866 -0.779 -2.545 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.321 1.265 -1.381 1.00 0.00 C ATOM 0 H THR A 68 -8.189 -0.779 -4.620 1.00 0.00 H new ATOM 0 HA THR A 68 -9.913 1.382 -4.095 1.00 0.00 H new ATOM 0 HB THR A 68 -7.936 -0.076 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.876 -1.237 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.334 0.728 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.595 2.076 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.311 1.677 -1.578 1.00 0.00 H new ATOM 954 N SER A 69 -8.323 3.312 -4.452 1.00 0.00 N ATOM 955 CA SER A 69 -7.509 4.523 -4.446 1.00 0.00 C ATOM 956 C SER A 69 -7.407 5.102 -3.038 1.00 0.00 C ATOM 957 O SER A 69 -8.222 5.934 -2.636 1.00 0.00 O ATOM 958 CB SER A 69 -8.102 5.565 -5.397 1.00 0.00 C ATOM 959 OG SER A 69 -8.423 4.987 -6.650 1.00 0.00 O ATOM 0 H SER A 69 -9.166 3.373 -5.023 1.00 0.00 H new ATOM 0 HA SER A 69 -6.507 4.260 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.998 5.999 -4.953 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.391 6.378 -5.540 1.00 0.00 H new ATOM 0 HG SER A 69 -8.802 5.673 -7.239 1.00 0.00 H new ATOM 965 N LEU A 70 -6.401 4.657 -2.294 1.00 0.00 N ATOM 966 CA LEU A 70 -6.190 5.130 -0.930 1.00 0.00 C ATOM 967 C LEU A 70 -5.615 6.543 -0.927 1.00 0.00 C ATOM 968 O LEU A 70 -5.884 7.332 -0.021 1.00 0.00 O ATOM 969 CB LEU A 70 -5.252 4.183 -0.180 1.00 0.00 C ATOM 970 CG LEU A 70 -5.831 2.817 0.189 1.00 0.00 C ATOM 971 CD1 LEU A 70 -4.864 2.049 1.077 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.178 2.978 0.879 1.00 0.00 C ATOM 0 H LEU A 70 -5.718 3.969 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.156 5.150 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.363 4.025 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.926 4.676 0.736 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.980 2.247 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.293 1.079 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.922 1.902 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.682 2.614 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.576 1.996 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.053 3.567 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.871 3.487 0.209 1.00 0.00 H new ATOM 984 N VAL A 71 -4.823 6.856 -1.947 1.00 0.00 N ATOM 985 CA VAL A 71 -4.212 8.175 -2.064 1.00 0.00 C ATOM 986 C VAL A 71 -5.208 9.275 -1.711 1.00 0.00 C ATOM 987 O VAL A 71 -6.278 9.374 -2.311 1.00 0.00 O ATOM 988 CB VAL A 71 -3.675 8.421 -3.487 1.00 0.00 C ATOM 989 CG1 VAL A 71 -4.795 8.297 -4.509 1.00 0.00 C ATOM 990 CG2 VAL A 71 -3.010 9.786 -3.576 1.00 0.00 C ATOM 0 H VAL A 71 -4.589 6.214 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.380 8.202 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.926 7.662 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.397 8.474 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.222 7.295 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.569 9.033 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.636 9.943 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.737 10.561 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.180 9.833 -2.871 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.847 10.100 -0.734 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.719 11.183 -0.317 1.00 0.00 C ATOM 1002 C GLY A 72 -6.760 10.735 0.689 1.00 0.00 C ATOM 1003 O GLY A 72 -7.932 11.103 0.588 1.00 0.00 O ATOM 0 H GLY A 72 -3.966 10.038 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.118 11.982 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.219 11.600 -1.191 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.335 9.936 1.662 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.240 9.435 2.691 1.00 0.00 C ATOM 1009 C LEU A 73 -6.511 9.263 4.020 1.00 0.00 C ATOM 1010 O LEU A 73 -5.295 9.076 4.069 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.851 8.102 2.255 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.847 8.167 1.096 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.022 6.794 0.465 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.185 8.711 1.573 1.00 0.00 C ATOM 0 H LEU A 73 -5.370 9.621 1.760 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.037 10.166 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.041 7.429 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.353 7.657 3.114 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.451 8.844 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.734 6.860 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.062 6.442 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.395 6.095 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.881 8.750 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.587 8.059 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.047 9.714 1.977 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.270 9.325 5.123 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.719 9.176 6.473 1.00 0.00 C ATOM 1028 C PRO A 74 -6.253 7.752 6.755 1.00 0.00 C ATOM 1029 O PRO A 74 -6.903 6.785 6.355 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.896 9.544 7.380 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.108 9.254 6.564 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.726 9.546 5.139 1.00 0.00 C ATOM 0 HA PRO A 74 -5.837 9.798 6.624 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.887 8.957 8.298 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.857 10.593 7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.418 8.215 6.680 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.948 9.874 6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.240 8.885 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.980 10.567 4.856 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.126 7.629 7.447 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.573 6.321 7.783 1.00 0.00 C ATOM 1042 C LEU A 75 -5.686 5.319 8.076 1.00 0.00 C ATOM 1043 O LEU A 75 -5.705 4.219 7.525 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.642 6.434 8.991 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.968 5.138 9.442 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.283 4.456 8.269 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -1.969 5.417 10.556 1.00 0.00 C ATOM 0 H LEU A 75 -4.577 8.419 7.787 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.003 5.963 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.865 7.162 8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.213 6.834 9.829 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.736 4.467 9.828 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.809 3.535 8.610 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.022 4.222 7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.526 5.121 7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.499 4.484 10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.205 6.106 10.196 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.487 5.861 11.406 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.611 5.709 8.947 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.729 4.847 9.310 1.00 0.00 C ATOM 1061 C ALA A 76 -8.255 4.088 8.096 1.00 0.00 C ATOM 1062 O ALA A 76 -8.419 2.870 8.137 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.843 5.666 9.945 1.00 0.00 C ATOM 0 H ALA A 76 -6.608 6.616 9.414 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.371 4.117 10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.671 5.009 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.467 6.157 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.190 6.419 9.237 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.518 4.818 7.016 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.023 4.214 5.790 1.00 0.00 C ATOM 1071 C ALA A 77 -8.115 3.083 5.320 1.00 0.00 C ATOM 1072 O ALA A 77 -8.586 2.001 4.967 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.165 5.267 4.702 1.00 0.00 C ATOM 0 H ALA A 77 -8.389 5.829 6.966 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.005 3.791 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.543 4.801 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.861 6.039 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.193 5.717 4.502 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.811 3.340 5.317 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.836 2.343 4.889 1.00 0.00 C ATOM 1081 C CYS A 78 -5.792 1.171 5.864 1.00 0.00 C ATOM 1082 O CYS A 78 -5.748 0.012 5.453 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.449 2.976 4.769 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.408 4.480 3.767 1.00 0.00 S ATOM 0 H CYS A 78 -6.405 4.230 5.606 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.142 1.967 3.913 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.080 3.208 5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.764 2.246 4.337 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.193 4.942 3.727 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.802 1.483 7.156 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.761 0.455 8.189 1.00 0.00 C ATOM 1092 C GLN A 79 -6.990 -0.444 8.112 1.00 0.00 C ATOM 1093 O GLN A 79 -6.925 -1.630 8.436 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.671 1.098 9.574 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.253 1.460 9.986 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.060 1.448 11.489 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.993 1.173 12.244 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.844 1.745 11.933 1.00 0.00 N ATOM 0 H GLN A 79 -5.838 2.438 7.512 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.875 -0.157 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.286 1.998 9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.091 0.414 10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.556 0.758 9.529 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.008 2.450 9.600 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.100 1.967 11.272 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.654 1.751 12.935 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.110 0.128 7.682 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.354 -0.622 7.561 1.00 0.00 C ATOM 1109 C ALA A 80 -9.406 -1.390 6.245 1.00 0.00 C ATOM 1110 O ALA A 80 -9.739 -2.575 6.219 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.548 0.314 7.676 1.00 0.00 C ATOM 0 H ALA A 80 -8.181 1.109 7.412 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.394 -1.345 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.470 -0.260 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.527 0.814 8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.504 1.060 6.882 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.075 -0.708 5.153 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.083 -1.326 3.833 1.00 0.00 C ATOM 1119 C ALA A 81 -8.059 -2.453 3.749 1.00 0.00 C ATOM 1120 O ALA A 81 -8.328 -3.508 3.175 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.813 -0.283 2.760 1.00 0.00 C ATOM 0 H ALA A 81 -8.798 0.274 5.157 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.071 -1.755 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.822 -0.759 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.585 0.486 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.838 0.173 2.933 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.883 -2.222 4.325 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.819 -3.218 4.315 1.00 0.00 C ATOM 1129 C VAL A 82 -6.256 -4.497 5.021 1.00 0.00 C ATOM 1130 O VAL A 82 -5.813 -5.592 4.673 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.543 -2.682 4.991 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.744 -2.564 6.494 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.355 -3.577 4.672 1.00 0.00 C ATOM 0 H VAL A 82 -6.644 -1.354 4.804 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.603 -3.440 3.270 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.335 -1.687 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.832 -2.184 6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.567 -1.879 6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.978 -3.545 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.462 -3.183 5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.551 -4.586 5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.199 -3.604 3.594 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.128 -4.350 6.013 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.625 -5.494 6.769 1.00 0.00 C ATOM 1145 C ARG A 83 -8.674 -6.260 5.968 1.00 0.00 C ATOM 1146 O ARG A 83 -8.663 -7.490 5.930 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.220 -5.032 8.100 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.189 -4.875 9.206 1.00 0.00 C ATOM 1149 CD ARG A 83 -6.880 -6.206 9.873 1.00 0.00 C ATOM 1150 NE ARG A 83 -7.818 -6.509 10.951 1.00 0.00 N ATOM 1151 CZ ARG A 83 -7.901 -5.803 12.073 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -7.106 -4.759 12.264 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.780 -6.141 13.008 1.00 0.00 N ATOM 0 H ARG A 83 -7.505 -3.451 6.312 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.786 -6.161 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.728 -4.079 7.950 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.976 -5.749 8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.273 -4.452 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.558 -4.170 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.914 -7.001 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.865 -6.185 10.271 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.444 -7.306 10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.428 -4.496 11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.172 -4.219 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.393 -6.944 12.865 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.843 -5.598 13.869 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.578 -5.523 5.330 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.635 -6.134 4.532 1.00 0.00 C ATOM 1169 C GLU A 84 -10.050 -7.093 3.499 1.00 0.00 C ATOM 1170 O GLU A 84 -10.621 -8.148 3.221 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.464 -5.056 3.832 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.192 -4.129 4.791 1.00 0.00 C ATOM 1173 CD GLU A 84 -12.776 -2.914 4.097 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.199 -2.478 3.079 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -13.809 -2.398 4.572 1.00 0.00 O ATOM 0 H GLU A 84 -9.600 -4.503 5.350 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.281 -6.700 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.809 -4.463 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.194 -5.537 3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.992 -4.680 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.502 -3.802 5.569 1.00 0.00 H new ATOM 1182 N THR A 85 -8.907 -6.719 2.932 1.00 0.00 N ATOM 1183 CA THR A 85 -8.246 -7.544 1.929 1.00 0.00 C ATOM 1184 C THR A 85 -7.951 -8.938 2.471 1.00 0.00 C ATOM 1185 O THR A 85 -7.764 -9.885 1.707 1.00 0.00 O ATOM 1186 CB THR A 85 -6.929 -6.901 1.453 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.925 -7.034 2.465 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.133 -5.430 1.125 1.00 0.00 C ATOM 0 H THR A 85 -8.420 -5.850 3.151 1.00 0.00 H new ATOM 0 HA THR A 85 -8.930 -7.623 1.084 1.00 0.00 H new ATOM 0 HB THR A 85 -6.604 -7.417 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.232 -6.602 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.190 -4.997 0.791 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.877 -5.333 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.479 -4.903 2.014 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.912 -9.057 3.793 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.642 -10.337 4.438 1.00 0.00 C ATOM 1198 C LYS A 86 -8.499 -11.443 3.833 1.00 0.00 C ATOM 1199 O LYS A 86 -8.105 -12.609 3.817 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.905 -10.238 5.943 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.685 -11.545 6.685 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.307 -11.510 8.071 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.632 -12.497 9.011 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.023 -12.270 10.429 1.00 0.00 N ATOM 0 H LYS A 86 -8.064 -8.283 4.439 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.593 -10.584 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.254 -9.474 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.931 -9.907 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.116 -12.367 6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.616 -11.741 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.228 -10.503 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.370 -11.742 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.896 -13.514 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.550 -12.408 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.542 -12.963 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.748 -11.309 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.053 -12.380 10.527 1.00 0.00 H new ATOM 1218 N SER A 87 -9.674 -11.070 3.335 1.00 0.00 N ATOM 1219 CA SER A 87 -10.588 -12.031 2.731 1.00 0.00 C ATOM 1220 C SER A 87 -10.071 -12.493 1.372 1.00 0.00 C ATOM 1221 O SER A 87 -9.856 -13.685 1.151 1.00 0.00 O ATOM 1222 CB SER A 87 -11.980 -11.416 2.576 1.00 0.00 C ATOM 1223 OG SER A 87 -11.939 -10.261 1.755 1.00 0.00 O ATOM 0 H SER A 87 -10.015 -10.109 3.338 1.00 0.00 H new ATOM 0 HA SER A 87 -10.652 -12.897 3.390 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.659 -12.150 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.377 -11.155 3.557 1.00 0.00 H new ATOM 0 HG SER A 87 -11.539 -9.519 2.254 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.872 -11.541 0.466 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.381 -11.850 -0.871 1.00 0.00 C ATOM 1231 C GLN A 88 -8.018 -12.533 -0.806 1.00 0.00 C ATOM 1232 O GLN A 88 -7.236 -12.295 0.114 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.285 -10.574 -1.710 1.00 0.00 C ATOM 1234 CG GLN A 88 -8.488 -9.466 -1.042 1.00 0.00 C ATOM 1235 CD GLN A 88 -8.504 -8.175 -1.838 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -7.763 -8.022 -2.809 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.351 -7.238 -1.429 1.00 0.00 N ATOM 0 H GLN A 88 -10.043 -10.550 0.634 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.088 -12.533 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.826 -10.813 -2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.291 -10.211 -1.920 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.894 -9.280 -0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.457 -9.794 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.947 -7.408 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.406 -6.348 -1.925 1.00 0.00 H new ATOM 1246 N THR A 89 -7.741 -13.384 -1.789 1.00 0.00 N ATOM 1247 CA THR A 89 -6.474 -14.102 -1.843 1.00 0.00 C ATOM 1248 C THR A 89 -5.503 -13.434 -2.810 1.00 0.00 C ATOM 1249 O THR A 89 -4.390 -13.916 -3.018 1.00 0.00 O ATOM 1250 CB THR A 89 -6.677 -15.569 -2.268 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.567 -15.635 -3.388 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.238 -16.393 -1.119 1.00 0.00 C ATOM 0 H THR A 89 -8.377 -13.593 -2.558 1.00 0.00 H new ATOM 0 HA THR A 89 -6.054 -14.078 -0.837 1.00 0.00 H new ATOM 0 HB THR A 89 -5.708 -15.980 -2.549 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.690 -16.570 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.373 -17.425 -1.443 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.545 -16.364 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.199 -15.981 -0.811 1.00 0.00 H new ATOM 1260 N SER A 90 -5.933 -12.323 -3.398 1.00 0.00 N ATOM 1261 CA SER A 90 -5.102 -11.590 -4.347 1.00 0.00 C ATOM 1262 C SER A 90 -5.138 -10.092 -4.056 1.00 0.00 C ATOM 1263 O SER A 90 -6.209 -9.490 -3.975 1.00 0.00 O ATOM 1264 CB SER A 90 -5.571 -11.855 -5.779 1.00 0.00 C ATOM 1265 OG SER A 90 -6.985 -11.835 -5.864 1.00 0.00 O ATOM 0 H SER A 90 -6.851 -11.910 -3.235 1.00 0.00 H new ATOM 0 HA SER A 90 -4.075 -11.939 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.153 -11.102 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.197 -12.822 -6.114 1.00 0.00 H new ATOM 0 HG SER A 90 -7.335 -11.103 -5.314 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.960 -9.497 -3.901 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.855 -8.070 -3.621 1.00 0.00 C ATOM 1273 C VAL A 91 -2.777 -7.419 -4.481 1.00 0.00 C ATOM 1274 O VAL A 91 -1.623 -7.850 -4.483 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.537 -7.812 -2.136 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -3.154 -6.356 -1.917 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.721 -8.197 -1.263 1.00 0.00 C ATOM 0 H VAL A 91 -3.064 -9.981 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.822 -7.628 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.688 -8.433 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.933 -6.193 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.273 -6.118 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.981 -5.713 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.479 -8.008 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.590 -7.604 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.944 -9.255 -1.398 1.00 0.00 H new ATOM 1287 N THR A 92 -3.161 -6.377 -5.212 1.00 0.00 N ATOM 1288 CA THR A 92 -2.228 -5.666 -6.077 1.00 0.00 C ATOM 1289 C THR A 92 -1.874 -4.301 -5.500 1.00 0.00 C ATOM 1290 O THR A 92 -2.721 -3.410 -5.420 1.00 0.00 O ATOM 1291 CB THR A 92 -2.807 -5.478 -7.492 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.064 -6.753 -8.090 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.849 -4.686 -8.368 1.00 0.00 C ATOM 0 H THR A 92 -4.111 -6.007 -5.222 1.00 0.00 H new ATOM 0 HA THR A 92 -1.327 -6.276 -6.139 1.00 0.00 H new ATOM 0 HB THR A 92 -3.741 -4.922 -7.407 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.706 -6.647 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.280 -4.566 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.678 -3.704 -7.926 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.901 -5.219 -8.445 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.618 -4.141 -5.099 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.151 -2.882 -4.528 1.00 0.00 C ATOM 1303 C LEU A 93 0.371 -1.951 -5.618 1.00 0.00 C ATOM 1304 O LEU A 93 0.987 -2.397 -6.586 1.00 0.00 O ATOM 1305 CB LEU A 93 0.947 -3.144 -3.496 1.00 0.00 C ATOM 1306 CG LEU A 93 0.538 -3.966 -2.274 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.761 -4.365 -1.464 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.444 -3.186 -1.411 1.00 0.00 C ATOM 0 H LEU A 93 0.096 -4.867 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.995 -2.399 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.771 -3.656 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.330 -2.184 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 93 0.045 -4.875 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.449 -4.949 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.429 -4.963 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.283 -3.469 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.724 -3.786 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.023 -2.260 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.335 -2.952 -1.994 1.00 0.00 H new ATOM 1320 N SER A 94 0.122 -0.656 -5.452 1.00 0.00 N ATOM 1321 CA SER A 94 0.565 0.338 -6.422 1.00 0.00 C ATOM 1322 C SER A 94 1.415 1.412 -5.750 1.00 0.00 C ATOM 1323 O SER A 94 0.902 2.247 -5.003 1.00 0.00 O ATOM 1324 CB SER A 94 -0.639 0.981 -7.112 1.00 0.00 C ATOM 1325 OG SER A 94 -0.318 1.380 -8.433 1.00 0.00 O ATOM 0 H SER A 94 -0.384 -0.271 -4.655 1.00 0.00 H new ATOM 0 HA SER A 94 1.175 -0.168 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.469 0.275 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.971 1.846 -6.538 1.00 0.00 H new ATOM 0 HG SER A 94 -1.105 1.786 -8.852 1.00 0.00 H new ATOM 1331 N ILE A 95 2.715 1.384 -6.020 1.00 0.00 N ATOM 1332 CA ILE A 95 3.636 2.356 -5.443 1.00 0.00 C ATOM 1333 C ILE A 95 4.483 3.020 -6.523 1.00 0.00 C ATOM 1334 O ILE A 95 4.426 2.640 -7.693 1.00 0.00 O ATOM 1335 CB ILE A 95 4.568 1.701 -4.406 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.595 0.806 -5.104 1.00 0.00 C ATOM 1337 CG2 ILE A 95 3.759 0.900 -3.397 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.855 1.537 -5.512 1.00 0.00 C ATOM 0 H ILE A 95 3.155 0.699 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 95 3.027 3.112 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 95 5.102 2.487 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.861 -0.016 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.138 0.364 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.432 0.444 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.063 1.562 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.201 0.120 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.537 0.841 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.602 2.342 -6.202 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.335 1.956 -4.628 1.00 0.00 H new ATOM 1350 N VAL A 96 5.270 4.014 -6.123 1.00 0.00 N ATOM 1351 CA VAL A 96 6.131 4.730 -7.056 1.00 0.00 C ATOM 1352 C VAL A 96 7.499 4.064 -7.163 1.00 0.00 C ATOM 1353 O VAL A 96 8.134 3.761 -6.153 1.00 0.00 O ATOM 1354 CB VAL A 96 6.319 6.199 -6.632 1.00 0.00 C ATOM 1355 CG1 VAL A 96 7.055 6.281 -5.303 1.00 0.00 C ATOM 1356 CG2 VAL A 96 7.062 6.973 -7.710 1.00 0.00 C ATOM 0 H VAL A 96 5.329 4.341 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 96 5.639 4.700 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 96 5.335 6.651 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.179 7.326 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.480 5.763 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.035 5.813 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.186 8.009 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.042 6.523 -7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.492 6.943 -8.638 1.00 0.00 H new