USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 17 LYS NZ :NH3+ -179:sc= 0.648 (180deg=0.472) USER MOD Set 1.2: A 88 THR OG1 : rot -75:sc= 0.518 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.22! C(o=-2.2!,f=-10!) USER MOD Single : A 60 GLN : amide:sc= -1.95! C(o=-1.9!,f=-5.8!) USER MOD Single : A 62 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.7!) USER MOD Single : A 64 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.3) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00345 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.8!) USER MOD Single : A 79 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.8!) USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.0159 USER MOD Single : A 87 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.56) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.547 4.100 7.394 1.00 0.00 N ATOM 86 CA GLU A 9 -9.917 4.740 8.536 1.00 0.00 C ATOM 87 C GLU A 9 -8.394 4.716 8.385 1.00 0.00 C ATOM 88 O GLU A 9 -7.782 3.649 8.396 1.00 0.00 O ATOM 89 CB GLU A 9 -10.348 4.074 9.845 1.00 0.00 C ATOM 90 CG GLU A 9 -9.509 2.827 10.128 1.00 0.00 C ATOM 91 CD GLU A 9 -10.236 1.883 11.088 1.00 0.00 C ATOM 92 OE1 GLU A 9 -11.269 1.324 10.661 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.742 1.742 12.228 1.00 0.00 O ATOM 0 HA GLU A 9 -10.243 5.779 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.244 4.781 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.402 3.802 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.296 2.308 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.550 3.119 10.556 1.00 0.00 H new ATOM 100 N LEU A 10 -7.827 5.905 8.247 1.00 0.00 N ATOM 101 CA LEU A 10 -6.387 6.034 8.093 1.00 0.00 C ATOM 102 C LEU A 10 -5.759 6.342 9.454 1.00 0.00 C ATOM 103 O LEU A 10 -5.940 7.434 9.992 1.00 0.00 O ATOM 104 CB LEU A 10 -6.054 7.065 7.014 1.00 0.00 C ATOM 105 CG LEU A 10 -6.795 6.908 5.684 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.166 7.784 4.599 1.00 0.00 C ATOM 107 CD2 LEU A 10 -6.864 5.438 5.265 1.00 0.00 C ATOM 0 H LEU A 10 -8.338 6.788 8.239 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.955 5.095 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.266 8.058 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.983 7.023 6.817 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.820 7.252 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.711 7.653 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.212 8.830 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.125 7.494 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.395 5.354 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.854 5.044 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.392 4.866 6.028 1.00 0.00 H new ATOM 119 N PHE A 11 -5.035 5.362 9.972 1.00 0.00 N ATOM 120 CA PHE A 11 -4.379 5.515 11.259 1.00 0.00 C ATOM 121 C PHE A 11 -2.880 5.228 11.149 1.00 0.00 C ATOM 122 O PHE A 11 -2.478 4.231 10.551 1.00 0.00 O ATOM 123 CB PHE A 11 -5.013 4.496 12.208 1.00 0.00 C ATOM 124 CG PHE A 11 -5.141 3.091 11.617 1.00 0.00 C ATOM 125 CD1 PHE A 11 -6.068 2.840 10.654 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.327 2.092 12.054 1.00 0.00 C ATOM 127 CE1 PHE A 11 -6.186 1.536 10.105 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.446 0.788 11.505 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.373 0.537 10.542 1.00 0.00 C ATOM 0 H PHE A 11 -4.888 4.458 9.523 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.500 6.537 11.619 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.417 4.443 13.119 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.003 4.850 12.496 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.714 3.633 10.307 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.590 2.291 12.818 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.922 1.337 9.340 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.800 -0.005 11.852 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.464 -0.455 10.125 1.00 0.00 H new ATOM 139 N PRO A 12 -2.074 6.143 11.751 1.00 0.00 N ATOM 140 CA PRO A 12 -0.628 5.998 11.726 1.00 0.00 C ATOM 141 C PRO A 12 -0.170 4.906 12.695 1.00 0.00 C ATOM 142 O PRO A 12 -0.441 4.980 13.892 1.00 0.00 O ATOM 143 CB PRO A 12 -0.089 7.374 12.083 1.00 0.00 C ATOM 144 CG PRO A 12 -1.240 8.113 12.746 1.00 0.00 C ATOM 145 CD PRO A 12 -2.516 7.336 12.468 1.00 0.00 C ATOM 0 HA PRO A 12 -0.253 5.678 10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.765 7.296 12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.254 7.902 11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.071 8.198 13.820 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.318 9.127 12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.030 7.075 13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.214 7.922 11.870 1.00 0.00 H new ATOM 153 N VAL A 13 0.516 3.918 12.140 1.00 0.00 N ATOM 154 CA VAL A 13 1.015 2.812 12.940 1.00 0.00 C ATOM 155 C VAL A 13 2.542 2.882 13.004 1.00 0.00 C ATOM 156 O VAL A 13 3.209 2.918 11.971 1.00 0.00 O ATOM 157 CB VAL A 13 0.500 1.486 12.378 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.244 0.301 12.998 1.00 0.00 C ATOM 159 CG2 VAL A 13 -1.010 1.352 12.583 1.00 0.00 C ATOM 0 H VAL A 13 0.738 3.860 11.146 1.00 0.00 H new ATOM 0 HA VAL A 13 0.644 2.882 13.962 1.00 0.00 H new ATOM 0 HB VAL A 13 0.694 1.480 11.305 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.858 -0.629 12.581 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.308 0.384 12.777 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.096 0.303 14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.350 0.400 12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.237 1.391 13.648 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.520 2.169 12.073 1.00 0.00 H new ATOM 169 N GLU A 14 3.051 2.899 14.227 1.00 0.00 N ATOM 170 CA GLU A 14 4.487 2.964 14.438 1.00 0.00 C ATOM 171 C GLU A 14 5.098 1.563 14.368 1.00 0.00 C ATOM 172 O GLU A 14 4.529 0.607 14.892 1.00 0.00 O ATOM 173 CB GLU A 14 4.815 3.638 15.772 1.00 0.00 C ATOM 174 CG GLU A 14 4.332 5.090 15.786 1.00 0.00 C ATOM 175 CD GLU A 14 3.836 5.490 17.177 1.00 0.00 C ATOM 176 OE1 GLU A 14 4.680 5.970 17.964 1.00 0.00 O ATOM 177 OE2 GLU A 14 2.624 5.306 17.422 1.00 0.00 O ATOM 0 H GLU A 14 2.495 2.869 15.082 1.00 0.00 H new ATOM 0 HA GLU A 14 4.924 3.570 13.644 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.346 3.087 16.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.891 3.607 15.944 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.144 5.750 15.482 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.529 5.217 15.059 1.00 0.00 H new ATOM 184 N LEU A 15 6.249 1.486 13.715 1.00 0.00 N ATOM 185 CA LEU A 15 6.943 0.218 13.569 1.00 0.00 C ATOM 186 C LEU A 15 8.453 0.458 13.631 1.00 0.00 C ATOM 187 O LEU A 15 8.957 1.415 13.045 1.00 0.00 O ATOM 188 CB LEU A 15 6.486 -0.499 12.297 1.00 0.00 C ATOM 189 CG LEU A 15 5.643 -1.760 12.504 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.235 -2.373 11.163 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.373 -2.766 13.396 1.00 0.00 C ATOM 0 H LEU A 15 6.718 2.281 13.281 1.00 0.00 H new ATOM 0 HA LEU A 15 6.692 -0.451 14.392 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.911 0.204 11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.369 -0.767 11.718 1.00 0.00 H new ATOM 0 HG LEU A 15 4.726 -1.477 13.021 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.637 -3.267 11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.649 -1.650 10.596 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.128 -2.639 10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.753 -3.653 13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.316 -3.049 12.929 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.571 -2.314 14.368 1.00 0.00 H new ATOM 203 N GLU A 16 9.131 -0.427 14.346 1.00 0.00 N ATOM 204 CA GLU A 16 10.573 -0.323 14.492 1.00 0.00 C ATOM 205 C GLU A 16 11.270 -1.399 13.656 1.00 0.00 C ATOM 206 O GLU A 16 10.930 -2.578 13.748 1.00 0.00 O ATOM 207 CB GLU A 16 10.984 -0.420 15.962 1.00 0.00 C ATOM 208 CG GLU A 16 11.209 0.970 16.561 1.00 0.00 C ATOM 209 CD GLU A 16 12.051 0.889 17.835 1.00 0.00 C ATOM 210 OE1 GLU A 16 11.465 0.536 18.882 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.263 1.181 17.735 1.00 0.00 O ATOM 0 H GLU A 16 8.709 -1.219 14.830 1.00 0.00 H new ATOM 0 HA GLU A 16 10.886 0.655 14.125 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.211 -0.942 16.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.896 -1.010 16.050 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.708 1.608 15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.248 1.433 16.785 1.00 0.00 H new ATOM 218 N LYS A 17 12.232 -0.956 12.861 1.00 0.00 N ATOM 219 CA LYS A 17 12.980 -1.866 12.011 1.00 0.00 C ATOM 220 C LYS A 17 13.676 -2.914 12.881 1.00 0.00 C ATOM 221 O LYS A 17 14.030 -2.640 14.027 1.00 0.00 O ATOM 222 CB LYS A 17 13.934 -1.088 11.102 1.00 0.00 C ATOM 223 CG LYS A 17 13.214 -0.590 9.848 1.00 0.00 C ATOM 224 CD LYS A 17 14.202 0.028 8.857 1.00 0.00 C ATOM 225 CE LYS A 17 13.632 0.019 7.437 1.00 0.00 C ATOM 226 NZ LYS A 17 14.568 0.678 6.499 1.00 0.00 N ATOM 0 H LYS A 17 12.511 0.022 12.787 1.00 0.00 H new ATOM 0 HA LYS A 17 12.307 -2.403 11.342 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.351 -0.241 11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.770 -1.726 10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.688 -1.418 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.462 0.149 10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.429 1.052 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.140 -0.526 8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.451 -1.007 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.671 0.532 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.159 0.678 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.734 1.658 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.470 0.161 6.489 1.00 0.00 H new ATOM 240 N ASP A 18 13.853 -4.093 12.303 1.00 0.00 N ATOM 241 CA ASP A 18 14.501 -5.184 13.012 1.00 0.00 C ATOM 242 C ASP A 18 15.669 -5.708 12.174 1.00 0.00 C ATOM 243 O ASP A 18 15.889 -5.250 11.053 1.00 0.00 O ATOM 244 CB ASP A 18 13.530 -6.343 13.246 1.00 0.00 C ATOM 245 CG ASP A 18 12.155 -5.936 13.781 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.966 -4.719 13.993 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.325 -6.852 13.966 1.00 0.00 O ATOM 0 H ASP A 18 13.559 -4.317 11.352 1.00 0.00 H new ATOM 0 HA ASP A 18 14.846 -4.803 13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.394 -6.879 12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.984 -7.042 13.948 1.00 0.00 H new ATOM 252 N GLU A 19 16.387 -6.662 12.749 1.00 0.00 N ATOM 253 CA GLU A 19 17.527 -7.253 12.069 1.00 0.00 C ATOM 254 C GLU A 19 17.225 -7.425 10.578 1.00 0.00 C ATOM 255 O GLU A 19 18.127 -7.341 9.746 1.00 0.00 O ATOM 256 CB GLU A 19 17.914 -8.589 12.707 1.00 0.00 C ATOM 257 CG GLU A 19 16.757 -9.587 12.634 1.00 0.00 C ATOM 258 CD GLU A 19 16.927 -10.700 13.670 1.00 0.00 C ATOM 259 OE1 GLU A 19 17.922 -11.446 13.543 1.00 0.00 O ATOM 260 OE2 GLU A 19 16.058 -10.780 14.565 1.00 0.00 O ATOM 0 H GLU A 19 16.201 -7.040 13.678 1.00 0.00 H new ATOM 0 HA GLU A 19 18.377 -6.578 12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.786 -9.000 12.198 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.197 -8.431 13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.813 -9.068 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.708 -10.020 11.635 1.00 0.00 H new ATOM 267 N ASP A 20 15.955 -7.663 10.288 1.00 0.00 N ATOM 268 CA ASP A 20 15.523 -7.847 8.913 1.00 0.00 C ATOM 269 C ASP A 20 14.539 -6.737 8.538 1.00 0.00 C ATOM 270 O ASP A 20 13.437 -7.012 8.067 1.00 0.00 O ATOM 271 CB ASP A 20 14.812 -9.190 8.734 1.00 0.00 C ATOM 272 CG ASP A 20 14.798 -9.728 7.302 1.00 0.00 C ATOM 273 OD1 ASP A 20 15.612 -9.225 6.498 1.00 0.00 O ATOM 274 OD2 ASP A 20 13.972 -10.631 7.044 1.00 0.00 O ATOM 0 H ASP A 20 15.211 -7.733 10.982 1.00 0.00 H new ATOM 0 HA ASP A 20 16.407 -7.819 8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.292 -9.927 9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.783 -9.088 9.078 1.00 0.00 H new ATOM 279 N GLY A 21 14.973 -5.505 8.763 1.00 0.00 N ATOM 280 CA GLY A 21 14.144 -4.352 8.455 1.00 0.00 C ATOM 281 C GLY A 21 12.786 -4.451 9.153 1.00 0.00 C ATOM 282 O GLY A 21 12.694 -4.962 10.268 1.00 0.00 O ATOM 0 H GLY A 21 15.888 -5.280 9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.652 -3.440 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 21 13.999 -4.282 7.377 1.00 0.00 H new ATOM 286 N LEU A 22 11.767 -3.953 8.469 1.00 0.00 N ATOM 287 CA LEU A 22 10.419 -3.978 9.010 1.00 0.00 C ATOM 288 C LEU A 22 9.955 -5.430 9.144 1.00 0.00 C ATOM 289 O LEU A 22 9.597 -5.873 10.234 1.00 0.00 O ATOM 290 CB LEU A 22 9.486 -3.110 8.164 1.00 0.00 C ATOM 291 CG LEU A 22 10.010 -1.720 7.799 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.502 -1.285 6.423 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.663 -0.700 8.886 1.00 0.00 C ATOM 0 H LEU A 22 11.848 -3.530 7.545 1.00 0.00 H new ATOM 0 HA LEU A 22 10.401 -3.544 10.010 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.261 -3.645 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.545 -2.992 8.702 1.00 0.00 H new ATOM 0 HG LEU A 22 11.097 -1.771 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.890 -0.294 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.841 -1.995 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.412 -1.256 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.047 0.280 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.581 -0.646 9.002 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.114 -1.006 9.830 1.00 0.00 H new ATOM 305 N GLY A 23 9.976 -6.130 8.019 1.00 0.00 N ATOM 306 CA GLY A 23 9.562 -7.523 7.997 1.00 0.00 C ATOM 307 C GLY A 23 8.106 -7.655 7.546 1.00 0.00 C ATOM 308 O GLY A 23 7.296 -8.283 8.226 1.00 0.00 O ATOM 0 H GLY A 23 10.273 -5.759 7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.208 -8.087 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.680 -7.957 8.990 1.00 0.00 H new ATOM 312 N ILE A 24 7.817 -7.052 6.402 1.00 0.00 N ATOM 313 CA ILE A 24 6.473 -7.095 5.852 1.00 0.00 C ATOM 314 C ILE A 24 6.552 -7.107 4.324 1.00 0.00 C ATOM 315 O ILE A 24 7.535 -6.646 3.746 1.00 0.00 O ATOM 316 CB ILE A 24 5.627 -5.951 6.414 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.503 -4.749 6.778 1.00 0.00 C ATOM 318 CG2 ILE A 24 4.783 -6.424 7.599 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.694 -3.451 6.743 1.00 0.00 C ATOM 0 H ILE A 24 8.491 -6.531 5.841 1.00 0.00 H new ATOM 0 HA ILE A 24 5.968 -8.013 6.153 1.00 0.00 H new ATOM 0 HB ILE A 24 4.936 -5.623 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.927 -4.891 7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.339 -4.680 6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.191 -5.591 7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.117 -7.224 7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.438 -6.794 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.339 -2.613 7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.292 -3.300 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.873 -3.514 7.458 1.00 0.00 H new ATOM 331 N SER A 25 5.503 -7.640 3.713 1.00 0.00 N ATOM 332 CA SER A 25 5.442 -7.718 2.264 1.00 0.00 C ATOM 333 C SER A 25 4.381 -6.752 1.732 1.00 0.00 C ATOM 334 O SER A 25 3.388 -6.482 2.406 1.00 0.00 O ATOM 335 CB SER A 25 5.139 -9.145 1.802 1.00 0.00 C ATOM 336 OG SER A 25 6.185 -10.050 2.144 1.00 0.00 O ATOM 0 H SER A 25 4.689 -8.022 4.196 1.00 0.00 H new ATOM 0 HA SER A 25 6.416 -7.434 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.206 -9.482 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.991 -9.153 0.722 1.00 0.00 H new ATOM 0 HG SER A 25 5.953 -10.950 1.834 1.00 0.00 H new ATOM 342 N ILE A 26 4.628 -6.257 0.528 1.00 0.00 N ATOM 343 CA ILE A 26 3.707 -5.326 -0.102 1.00 0.00 C ATOM 344 C ILE A 26 3.357 -5.831 -1.503 1.00 0.00 C ATOM 345 O ILE A 26 4.113 -6.598 -2.097 1.00 0.00 O ATOM 346 CB ILE A 26 4.283 -3.908 -0.086 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.616 -3.850 -0.834 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.406 -3.383 1.346 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.696 -2.600 -1.713 1.00 0.00 C ATOM 0 H ILE A 26 5.453 -6.483 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 26 2.775 -5.273 0.461 1.00 0.00 H new ATOM 0 HB ILE A 26 3.590 -3.251 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.439 -3.850 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.730 -4.741 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.818 -2.374 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.421 -3.366 1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.067 -4.035 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.653 -2.582 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.886 -2.616 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.606 -1.710 -1.090 1.00 0.00 H new ATOM 361 N ILE A 27 2.210 -5.381 -1.990 1.00 0.00 N ATOM 362 CA ILE A 27 1.750 -5.778 -3.310 1.00 0.00 C ATOM 363 C ILE A 27 1.250 -4.544 -4.063 1.00 0.00 C ATOM 364 O ILE A 27 0.628 -3.662 -3.474 1.00 0.00 O ATOM 365 CB ILE A 27 0.710 -6.895 -3.201 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.165 -6.954 -4.455 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.123 -6.747 -1.927 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.902 -8.291 -4.547 1.00 0.00 C ATOM 0 H ILE A 27 1.585 -4.745 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 27 2.573 -6.195 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 27 1.237 -7.846 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.887 -6.137 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.454 -6.814 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.854 -7.554 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.532 -6.794 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.641 -5.788 -1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.517 -8.307 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.177 -9.104 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.538 -8.417 -3.671 1.00 0.00 H new ATOM 380 N GLY A 28 1.540 -4.522 -5.356 1.00 0.00 N ATOM 381 CA GLY A 28 1.128 -3.411 -6.196 1.00 0.00 C ATOM 382 C GLY A 28 -0.171 -3.735 -6.937 1.00 0.00 C ATOM 383 O GLY A 28 -0.220 -4.677 -7.727 1.00 0.00 O ATOM 0 H GLY A 28 2.055 -5.256 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.989 -2.520 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.914 -3.184 -6.916 1.00 0.00 H new ATOM 387 N MET A 29 -1.190 -2.938 -6.655 1.00 0.00 N ATOM 388 CA MET A 29 -2.486 -3.129 -7.284 1.00 0.00 C ATOM 389 C MET A 29 -3.080 -1.792 -7.732 1.00 0.00 C ATOM 390 O MET A 29 -2.844 -0.761 -7.103 1.00 0.00 O ATOM 391 CB MET A 29 -3.439 -3.806 -6.297 1.00 0.00 C ATOM 392 CG MET A 29 -2.867 -5.139 -5.810 1.00 0.00 C ATOM 393 SD MET A 29 -3.732 -6.494 -6.584 1.00 0.00 S ATOM 394 CE MET A 29 -4.698 -7.076 -5.200 1.00 0.00 C ATOM 0 H MET A 29 -1.145 -2.158 -5.999 1.00 0.00 H new ATOM 0 HA MET A 29 -2.352 -3.759 -8.163 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.614 -3.148 -5.446 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.405 -3.973 -6.774 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.804 -5.195 -6.044 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.959 -5.209 -4.726 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.303 -7.928 -5.511 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.031 -7.380 -4.393 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.351 -6.276 -4.850 1.00 0.00 H new ATOM 404 N GLY A 30 -3.841 -1.852 -8.816 1.00 0.00 N ATOM 405 CA GLY A 30 -4.471 -0.658 -9.355 1.00 0.00 C ATOM 406 C GLY A 30 -5.853 -0.441 -8.736 1.00 0.00 C ATOM 407 O GLY A 30 -6.798 -1.164 -9.050 1.00 0.00 O ATOM 0 H GLY A 30 -4.035 -2.708 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.841 0.210 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.563 -0.748 -10.437 1.00 0.00 H new ATOM 411 N VAL A 31 -5.928 0.557 -7.869 1.00 0.00 N ATOM 412 CA VAL A 31 -7.179 0.879 -7.204 1.00 0.00 C ATOM 413 C VAL A 31 -7.999 1.814 -8.094 1.00 0.00 C ATOM 414 O VAL A 31 -7.441 2.647 -8.806 1.00 0.00 O ATOM 415 CB VAL A 31 -6.899 1.466 -5.818 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.072 1.213 -4.869 1.00 0.00 C ATOM 417 CG2 VAL A 31 -5.596 0.910 -5.240 1.00 0.00 C ATOM 0 H VAL A 31 -5.142 1.154 -7.611 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.771 -0.023 -7.047 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.783 2.544 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.848 1.640 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.972 1.679 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.233 0.140 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.421 1.343 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.670 -0.174 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.767 1.164 -5.901 1.00 0.00 H new ATOM 492 N GLU A 38 -6.908 5.879 -12.210 1.00 0.00 N ATOM 493 CA GLU A 38 -5.840 4.914 -12.014 1.00 0.00 C ATOM 494 C GLU A 38 -4.965 5.324 -10.828 1.00 0.00 C ATOM 495 O GLU A 38 -4.057 6.142 -10.976 1.00 0.00 O ATOM 496 CB GLU A 38 -5.004 4.756 -13.285 1.00 0.00 C ATOM 497 CG GLU A 38 -5.012 3.305 -13.770 1.00 0.00 C ATOM 498 CD GLU A 38 -3.654 2.916 -14.358 1.00 0.00 C ATOM 499 OE1 GLU A 38 -2.766 2.562 -13.552 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.534 2.981 -15.600 1.00 0.00 O ATOM 0 HA GLU A 38 -6.288 3.946 -11.791 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.397 5.406 -14.066 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.979 5.073 -13.092 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.256 2.642 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.789 3.174 -14.523 1.00 0.00 H new ATOM 507 N LYS A 39 -5.268 4.739 -9.679 1.00 0.00 N ATOM 508 CA LYS A 39 -4.520 5.034 -8.469 1.00 0.00 C ATOM 509 C LYS A 39 -3.970 3.731 -7.884 1.00 0.00 C ATOM 510 O LYS A 39 -4.694 2.988 -7.225 1.00 0.00 O ATOM 511 CB LYS A 39 -5.380 5.833 -7.488 1.00 0.00 C ATOM 512 CG LYS A 39 -5.370 7.322 -7.837 1.00 0.00 C ATOM 513 CD LYS A 39 -4.763 8.147 -6.700 1.00 0.00 C ATOM 514 CE LYS A 39 -5.223 9.605 -6.775 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.553 9.761 -6.146 1.00 0.00 N ATOM 0 H LYS A 39 -6.022 4.062 -9.560 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.664 5.669 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.403 5.458 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.008 5.691 -6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.799 7.481 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.387 7.660 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.053 7.719 -5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.675 8.102 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.499 10.247 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.266 9.926 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.851 10.756 -6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.244 9.163 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.501 9.474 -5.148 1.00 0.00 H new ATOM 529 N LEU A 40 -2.693 3.494 -8.147 1.00 0.00 N ATOM 530 CA LEU A 40 -2.037 2.294 -7.656 1.00 0.00 C ATOM 531 C LEU A 40 -2.096 2.276 -6.127 1.00 0.00 C ATOM 532 O LEU A 40 -1.768 3.268 -5.478 1.00 0.00 O ATOM 533 CB LEU A 40 -0.618 2.190 -8.218 1.00 0.00 C ATOM 534 CG LEU A 40 -0.162 0.790 -8.634 1.00 0.00 C ATOM 535 CD1 LEU A 40 0.061 -0.100 -7.410 1.00 0.00 C ATOM 536 CD2 LEU A 40 -1.146 0.166 -9.625 1.00 0.00 C ATOM 0 H LEU A 40 -2.095 4.113 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.559 1.404 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.543 2.847 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.077 2.569 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 40 0.797 0.880 -9.145 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.385 -1.089 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.827 0.342 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.870 -0.188 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.799 -0.829 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.130 0.090 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.211 0.791 -10.515 1.00 0.00 H new ATOM 548 N GLY A 41 -2.517 1.138 -5.596 1.00 0.00 N ATOM 549 CA GLY A 41 -2.623 0.977 -4.156 1.00 0.00 C ATOM 550 C GLY A 41 -1.619 -0.058 -3.644 1.00 0.00 C ATOM 551 O GLY A 41 -1.598 -1.194 -4.116 1.00 0.00 O ATOM 0 H GLY A 41 -2.789 0.318 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.446 1.934 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.635 0.667 -3.895 1.00 0.00 H new ATOM 555 N ILE A 42 -0.812 0.371 -2.685 1.00 0.00 N ATOM 556 CA ILE A 42 0.192 -0.504 -2.104 1.00 0.00 C ATOM 557 C ILE A 42 -0.414 -1.245 -0.910 1.00 0.00 C ATOM 558 O ILE A 42 -0.625 -0.655 0.148 1.00 0.00 O ATOM 559 CB ILE A 42 1.457 0.284 -1.761 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.827 1.246 -2.893 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.611 -0.657 -1.408 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.141 0.482 -4.181 1.00 0.00 C ATOM 0 H ILE A 42 -0.833 1.313 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 42 0.502 -1.260 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 42 1.254 0.889 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.005 1.940 -3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.691 1.843 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.498 -0.071 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.334 -1.265 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.824 -1.306 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.401 1.189 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.979 -0.193 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.267 -0.095 -4.484 1.00 0.00 H new ATOM 574 N PHE A 43 -0.675 -2.527 -1.120 1.00 0.00 N ATOM 575 CA PHE A 43 -1.252 -3.354 -0.074 1.00 0.00 C ATOM 576 C PHE A 43 -0.207 -4.307 0.510 1.00 0.00 C ATOM 577 O PHE A 43 0.844 -4.525 -0.090 1.00 0.00 O ATOM 578 CB PHE A 43 -2.370 -4.175 -0.718 1.00 0.00 C ATOM 579 CG PHE A 43 -3.490 -3.330 -1.329 1.00 0.00 C ATOM 580 CD1 PHE A 43 -3.396 -2.905 -2.617 1.00 0.00 C ATOM 581 CD2 PHE A 43 -4.580 -3.005 -0.583 1.00 0.00 C ATOM 582 CE1 PHE A 43 -4.435 -2.121 -3.184 1.00 0.00 C ATOM 583 CE2 PHE A 43 -5.619 -2.220 -1.150 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.525 -1.795 -2.438 1.00 0.00 C ATOM 0 H PHE A 43 -0.497 -3.013 -1.999 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.624 -2.725 0.735 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.941 -4.808 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.798 -4.839 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.531 -3.164 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.655 -3.344 0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.360 -1.784 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.484 -1.961 -0.558 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.316 -1.199 -2.869 1.00 0.00 H new ATOM 594 N VAL A 44 -0.532 -4.849 1.675 1.00 0.00 N ATOM 595 CA VAL A 44 0.365 -5.774 2.347 1.00 0.00 C ATOM 596 C VAL A 44 0.091 -7.195 1.850 1.00 0.00 C ATOM 597 O VAL A 44 -0.920 -7.797 2.208 1.00 0.00 O ATOM 598 CB VAL A 44 0.222 -5.632 3.863 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.794 -6.855 4.584 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.884 -4.344 4.358 1.00 0.00 C ATOM 0 H VAL A 44 -1.404 -4.665 2.171 1.00 0.00 H new ATOM 0 HA VAL A 44 1.403 -5.542 2.109 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.841 -5.573 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.680 -6.729 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.259 -7.749 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.851 -6.959 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.768 -4.267 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.945 -4.360 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.412 -3.485 3.881 1.00 0.00 H new ATOM 610 N LYS A 45 1.010 -7.690 1.034 1.00 0.00 N ATOM 611 CA LYS A 45 0.880 -9.029 0.486 1.00 0.00 C ATOM 612 C LYS A 45 0.824 -10.042 1.631 1.00 0.00 C ATOM 613 O LYS A 45 0.025 -10.976 1.599 1.00 0.00 O ATOM 614 CB LYS A 45 1.995 -9.304 -0.525 1.00 0.00 C ATOM 615 CG LYS A 45 1.821 -10.680 -1.173 1.00 0.00 C ATOM 616 CD LYS A 45 2.282 -10.661 -2.632 1.00 0.00 C ATOM 617 CE LYS A 45 2.823 -12.028 -3.053 1.00 0.00 C ATOM 618 NZ LYS A 45 4.159 -11.888 -3.674 1.00 0.00 N ATOM 0 H LYS A 45 1.847 -7.188 0.739 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.053 -9.124 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.991 -8.532 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.963 -9.252 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.393 -11.423 -0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.774 -10.980 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.449 -10.381 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.055 -9.904 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.886 -12.684 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.135 -12.497 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.512 -12.825 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.089 -11.279 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.816 -11.461 -2.991 1.00 0.00 H new ATOM 632 N THR A 46 1.683 -9.822 2.615 1.00 0.00 N ATOM 633 CA THR A 46 1.741 -10.703 3.769 1.00 0.00 C ATOM 634 C THR A 46 2.638 -10.104 4.854 1.00 0.00 C ATOM 635 O THR A 46 3.306 -9.097 4.625 1.00 0.00 O ATOM 636 CB THR A 46 2.206 -12.080 3.289 1.00 0.00 C ATOM 637 OG1 THR A 46 2.374 -12.828 4.490 1.00 0.00 O ATOM 638 CG2 THR A 46 3.606 -12.044 2.673 1.00 0.00 C ATOM 0 H THR A 46 2.345 -9.046 2.637 1.00 0.00 H new ATOM 0 HA THR A 46 0.759 -10.816 4.229 1.00 0.00 H new ATOM 0 HB THR A 46 1.498 -12.467 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.673 -13.735 4.271 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.887 -13.046 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.609 -11.371 1.815 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.321 -11.689 3.415 1.00 0.00 H new ATOM 646 N VAL A 47 2.624 -10.749 6.011 1.00 0.00 N ATOM 647 CA VAL A 47 3.428 -10.292 7.132 1.00 0.00 C ATOM 648 C VAL A 47 4.323 -11.436 7.612 1.00 0.00 C ATOM 649 O VAL A 47 3.829 -12.484 8.026 1.00 0.00 O ATOM 650 CB VAL A 47 2.522 -9.739 8.234 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.336 -9.363 9.474 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.710 -8.545 7.728 1.00 0.00 C ATOM 0 H VAL A 47 2.069 -11.584 6.197 1.00 0.00 H new ATOM 0 HA VAL A 47 4.081 -9.475 6.826 1.00 0.00 H new ATOM 0 HB VAL A 47 1.821 -10.524 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.669 -8.973 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.849 -10.246 9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.070 -8.602 9.210 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.074 -8.171 8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.388 -7.755 7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.089 -8.857 6.889 1.00 0.00 H new ATOM 662 N THR A 48 5.624 -11.197 7.540 1.00 0.00 N ATOM 663 CA THR A 48 6.593 -12.195 7.962 1.00 0.00 C ATOM 664 C THR A 48 6.247 -12.717 9.358 1.00 0.00 C ATOM 665 O THR A 48 5.924 -11.939 10.254 1.00 0.00 O ATOM 666 CB THR A 48 7.986 -11.567 7.877 1.00 0.00 C ATOM 667 OG1 THR A 48 8.387 -11.794 6.528 1.00 0.00 O ATOM 668 CG2 THR A 48 9.022 -12.327 8.706 1.00 0.00 C ATOM 0 H THR A 48 6.030 -10.327 7.196 1.00 0.00 H new ATOM 0 HA THR A 48 6.573 -13.067 7.308 1.00 0.00 H new ATOM 0 HB THR A 48 7.939 -10.532 8.215 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.280 -11.417 6.384 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.992 -11.840 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.719 -12.330 9.753 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.094 -13.353 8.346 1.00 0.00 H new ATOM 676 N GLU A 49 6.326 -14.032 9.499 1.00 0.00 N ATOM 677 CA GLU A 49 6.025 -14.668 10.770 1.00 0.00 C ATOM 678 C GLU A 49 7.110 -14.341 11.797 1.00 0.00 C ATOM 679 O GLU A 49 8.158 -14.984 11.824 1.00 0.00 O ATOM 680 CB GLU A 49 5.866 -16.181 10.602 1.00 0.00 C ATOM 681 CG GLU A 49 5.126 -16.790 11.795 1.00 0.00 C ATOM 682 CD GLU A 49 5.085 -18.316 11.693 1.00 0.00 C ATOM 683 OE1 GLU A 49 4.111 -18.818 11.092 1.00 0.00 O ATOM 684 OE2 GLU A 49 6.028 -18.946 12.219 1.00 0.00 O ATOM 0 H GLU A 49 6.594 -14.675 8.754 1.00 0.00 H new ATOM 0 HA GLU A 49 5.076 -14.275 11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.319 -16.393 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.847 -16.645 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.619 -16.497 12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.110 -16.397 11.837 1.00 0.00 H new ATOM 691 N GLY A 50 6.821 -13.342 12.618 1.00 0.00 N ATOM 692 CA GLY A 50 7.760 -12.922 13.645 1.00 0.00 C ATOM 693 C GLY A 50 8.413 -11.587 13.278 1.00 0.00 C ATOM 694 O GLY A 50 9.378 -11.168 13.915 1.00 0.00 O ATOM 0 H GLY A 50 5.950 -12.811 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.242 -12.827 14.600 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.529 -13.684 13.773 1.00 0.00 H new ATOM 698 N GLY A 51 7.860 -10.957 12.251 1.00 0.00 N ATOM 699 CA GLY A 51 8.377 -9.679 11.792 1.00 0.00 C ATOM 700 C GLY A 51 7.939 -8.545 12.721 1.00 0.00 C ATOM 701 O GLY A 51 7.108 -8.747 13.604 1.00 0.00 O ATOM 0 H GLY A 51 7.060 -11.308 11.725 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.465 -9.718 11.748 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.024 -9.482 10.780 1.00 0.00 H new ATOM 705 N ALA A 52 8.520 -7.376 12.490 1.00 0.00 N ATOM 706 CA ALA A 52 8.200 -6.210 13.295 1.00 0.00 C ATOM 707 C ALA A 52 6.699 -5.931 13.208 1.00 0.00 C ATOM 708 O ALA A 52 6.011 -5.891 14.227 1.00 0.00 O ATOM 709 CB ALA A 52 9.042 -5.021 12.828 1.00 0.00 C ATOM 0 H ALA A 52 9.210 -7.212 11.757 1.00 0.00 H new ATOM 0 HA ALA A 52 8.441 -6.389 14.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.802 -4.146 13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.100 -5.259 12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.825 -4.810 11.781 1.00 0.00 H new ATOM 715 N ALA A 53 6.234 -5.746 11.981 1.00 0.00 N ATOM 716 CA ALA A 53 4.826 -5.471 11.748 1.00 0.00 C ATOM 717 C ALA A 53 3.985 -6.601 12.347 1.00 0.00 C ATOM 718 O ALA A 53 2.889 -6.362 12.853 1.00 0.00 O ATOM 719 CB ALA A 53 4.582 -5.295 10.248 1.00 0.00 C ATOM 0 H ALA A 53 6.807 -5.781 11.138 1.00 0.00 H new ATOM 0 HA ALA A 53 4.529 -4.543 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.526 -5.089 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.181 -4.463 9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.865 -6.208 9.724 1.00 0.00 H new ATOM 725 N GLN A 54 4.530 -7.806 12.270 1.00 0.00 N ATOM 726 CA GLN A 54 3.843 -8.972 12.798 1.00 0.00 C ATOM 727 C GLN A 54 3.728 -8.876 14.321 1.00 0.00 C ATOM 728 O GLN A 54 2.624 -8.863 14.864 1.00 0.00 O ATOM 729 CB GLN A 54 4.554 -10.262 12.383 1.00 0.00 C ATOM 730 CG GLN A 54 3.584 -11.445 12.376 1.00 0.00 C ATOM 731 CD GLN A 54 3.527 -12.115 13.751 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.674 -11.483 14.784 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.304 -13.425 13.705 1.00 0.00 N ATOM 0 H GLN A 54 5.439 -8.000 11.850 1.00 0.00 H new ATOM 0 HA GLN A 54 2.838 -8.998 12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.990 -10.138 11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.376 -10.465 13.069 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.589 -11.102 12.093 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.896 -12.172 11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.190 -13.892 12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.247 -13.963 14.570 1.00 0.00 H new ATOM 742 N ARG A 55 4.883 -8.811 14.967 1.00 0.00 N ATOM 743 CA ARG A 55 4.925 -8.716 16.416 1.00 0.00 C ATOM 744 C ARG A 55 3.978 -7.618 16.904 1.00 0.00 C ATOM 745 O ARG A 55 3.301 -7.783 17.918 1.00 0.00 O ATOM 746 CB ARG A 55 6.342 -8.413 16.907 1.00 0.00 C ATOM 747 CG ARG A 55 7.182 -9.690 16.980 1.00 0.00 C ATOM 748 CD ARG A 55 8.491 -9.443 17.732 1.00 0.00 C ATOM 749 NE ARG A 55 9.397 -8.608 16.912 1.00 0.00 N ATOM 750 CZ ARG A 55 10.424 -7.904 17.406 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.683 -7.930 18.721 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.193 -7.174 16.587 1.00 0.00 N ATOM 0 H ARG A 55 5.797 -8.822 14.513 1.00 0.00 H new ATOM 0 HA ARG A 55 4.610 -9.678 16.820 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.818 -7.698 16.236 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.298 -7.946 17.891 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.614 -10.475 17.479 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.399 -10.045 15.972 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.287 -8.948 18.681 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.971 -10.394 17.965 1.00 0.00 H new ATOM 0 HE ARG A 55 9.229 -8.566 15.907 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.098 -8.486 19.345 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.465 -7.394 19.097 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.997 -7.154 15.586 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.975 -6.638 16.964 1.00 0.00 H new ATOM 766 N ASP A 56 3.960 -6.522 16.160 1.00 0.00 N ATOM 767 CA ASP A 56 3.107 -5.397 16.504 1.00 0.00 C ATOM 768 C ASP A 56 1.660 -5.878 16.624 1.00 0.00 C ATOM 769 O ASP A 56 1.011 -5.657 17.645 1.00 0.00 O ATOM 770 CB ASP A 56 3.158 -4.316 15.423 1.00 0.00 C ATOM 771 CG ASP A 56 2.642 -2.943 15.857 1.00 0.00 C ATOM 772 OD1 ASP A 56 1.912 -2.905 16.870 1.00 0.00 O ATOM 773 OD2 ASP A 56 2.990 -1.961 15.166 1.00 0.00 O ATOM 0 H ASP A 56 4.523 -6.389 15.320 1.00 0.00 H new ATOM 0 HA ASP A 56 3.462 -4.981 17.447 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.189 -4.210 15.085 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.575 -4.653 14.566 1.00 0.00 H new ATOM 778 N GLY A 57 1.196 -6.527 15.566 1.00 0.00 N ATOM 779 CA GLY A 57 -0.163 -7.041 15.539 1.00 0.00 C ATOM 780 C GLY A 57 -1.131 -6.001 14.973 1.00 0.00 C ATOM 781 O GLY A 57 -2.317 -6.279 14.803 1.00 0.00 O ATOM 0 H GLY A 57 1.737 -6.709 14.721 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.201 -7.946 14.933 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.471 -7.319 16.547 1.00 0.00 H new ATOM 785 N ARG A 58 -0.590 -4.824 14.697 1.00 0.00 N ATOM 786 CA ARG A 58 -1.392 -3.740 14.153 1.00 0.00 C ATOM 787 C ARG A 58 -1.602 -3.938 12.651 1.00 0.00 C ATOM 788 O ARG A 58 -2.721 -4.187 12.205 1.00 0.00 O ATOM 789 CB ARG A 58 -0.722 -2.386 14.394 1.00 0.00 C ATOM 790 CG ARG A 58 -1.546 -1.530 15.359 1.00 0.00 C ATOM 791 CD ARG A 58 -3.033 -1.580 15.002 1.00 0.00 C ATOM 792 NE ARG A 58 -3.198 -1.713 13.537 1.00 0.00 N ATOM 793 CZ ARG A 58 -4.325 -2.129 12.943 1.00 0.00 C ATOM 794 NH1 ARG A 58 -5.393 -2.454 13.684 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.383 -2.220 11.607 1.00 0.00 N ATOM 0 H ARG A 58 0.394 -4.596 14.840 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.356 -3.751 14.662 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.278 -2.538 14.800 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.604 -1.861 13.446 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.401 -1.884 16.380 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.195 -0.499 15.327 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.509 -2.420 15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.530 -0.675 15.352 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.405 -1.473 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.348 -2.385 14.701 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.251 -2.771 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.570 -1.973 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.240 -2.537 11.154 1.00 0.00 H new ATOM 809 N ILE A 59 -0.509 -3.819 11.912 1.00 0.00 N ATOM 810 CA ILE A 59 -0.560 -3.981 10.469 1.00 0.00 C ATOM 811 C ILE A 59 -0.866 -5.442 10.135 1.00 0.00 C ATOM 812 O ILE A 59 -0.143 -6.343 10.556 1.00 0.00 O ATOM 813 CB ILE A 59 0.726 -3.459 9.825 1.00 0.00 C ATOM 814 CG1 ILE A 59 0.967 -1.993 10.192 1.00 0.00 C ATOM 815 CG2 ILE A 59 0.708 -3.676 8.311 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.443 -1.624 10.032 1.00 0.00 C ATOM 0 H ILE A 59 0.417 -3.612 12.286 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.366 -3.381 10.047 1.00 0.00 H new ATOM 0 HB ILE A 59 1.564 -4.032 10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.357 -1.350 9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.653 -1.815 11.221 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.633 -3.296 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.618 -4.741 8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.140 -3.146 7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.587 -0.577 10.299 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.048 -2.252 10.686 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.747 -1.780 8.997 1.00 0.00 H new ATOM 828 N GLN A 60 -1.940 -5.632 9.381 1.00 0.00 N ATOM 829 CA GLN A 60 -2.350 -6.968 8.986 1.00 0.00 C ATOM 830 C GLN A 60 -2.126 -7.170 7.486 1.00 0.00 C ATOM 831 O GLN A 60 -1.744 -6.238 6.780 1.00 0.00 O ATOM 832 CB GLN A 60 -3.810 -7.227 9.362 1.00 0.00 C ATOM 833 CG GLN A 60 -4.229 -6.368 10.557 1.00 0.00 C ATOM 834 CD GLN A 60 -3.541 -6.839 11.839 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.682 -7.705 11.831 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.964 -6.222 12.938 1.00 0.00 N ATOM 0 H GLN A 60 -2.538 -4.882 9.034 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.737 -7.690 9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.453 -7.009 8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.946 -8.282 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.976 -5.325 10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.311 -6.416 10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.687 -5.505 12.874 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.566 -6.465 13.845 1.00 0.00 H new ATOM 845 N VAL A 61 -2.373 -8.394 7.043 1.00 0.00 N ATOM 846 CA VAL A 61 -2.203 -8.731 5.639 1.00 0.00 C ATOM 847 C VAL A 61 -3.376 -8.164 4.838 1.00 0.00 C ATOM 848 O VAL A 61 -4.488 -8.050 5.353 1.00 0.00 O ATOM 849 CB VAL A 61 -2.045 -10.244 5.479 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.142 -10.653 4.008 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.731 -10.726 6.097 1.00 0.00 C ATOM 0 H VAL A 61 -2.690 -9.165 7.631 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.292 -8.280 5.245 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.863 -10.725 6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.026 -11.733 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.114 -10.360 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.355 -10.158 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.643 -11.805 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.106 -10.233 5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.718 -10.484 7.160 1.00 0.00 H new ATOM 861 N ASN A 62 -3.090 -7.823 3.590 1.00 0.00 N ATOM 862 CA ASN A 62 -4.107 -7.271 2.712 1.00 0.00 C ATOM 863 C ASN A 62 -4.337 -5.800 3.066 1.00 0.00 C ATOM 864 O ASN A 62 -5.164 -5.131 2.448 1.00 0.00 O ATOM 865 CB ASN A 62 -5.437 -8.010 2.877 1.00 0.00 C ATOM 866 CG ASN A 62 -5.219 -9.524 2.938 1.00 0.00 C ATOM 867 OD1 ASN A 62 -4.952 -10.179 1.944 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.348 -10.040 4.157 1.00 0.00 N ATOM 0 H ASN A 62 -2.167 -7.919 3.166 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.759 -7.378 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.934 -7.673 3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.098 -7.767 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.222 -11.042 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.573 -9.434 4.946 1.00 0.00 H new ATOM 875 N ASP A 63 -3.591 -5.341 4.060 1.00 0.00 N ATOM 876 CA ASP A 63 -3.703 -3.962 4.503 1.00 0.00 C ATOM 877 C ASP A 63 -3.310 -3.028 3.356 1.00 0.00 C ATOM 878 O ASP A 63 -2.808 -3.479 2.328 1.00 0.00 O ATOM 879 CB ASP A 63 -2.766 -3.684 5.681 1.00 0.00 C ATOM 880 CG ASP A 63 -3.355 -3.983 7.060 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.474 -4.540 7.091 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.674 -3.649 8.053 1.00 0.00 O ATOM 0 H ASP A 63 -2.907 -5.899 4.571 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.734 -3.791 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.860 -4.277 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.468 -2.636 5.649 1.00 0.00 H new ATOM 887 N GLN A 64 -3.554 -1.744 3.572 1.00 0.00 N ATOM 888 CA GLN A 64 -3.232 -0.743 2.569 1.00 0.00 C ATOM 889 C GLN A 64 -2.400 0.382 3.189 1.00 0.00 C ATOM 890 O GLN A 64 -2.894 1.135 4.026 1.00 0.00 O ATOM 891 CB GLN A 64 -4.502 -0.190 1.918 1.00 0.00 C ATOM 892 CG GLN A 64 -4.162 0.710 0.728 1.00 0.00 C ATOM 893 CD GLN A 64 -5.227 1.791 0.537 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.295 1.758 1.125 1.00 0.00 O ATOM 895 NE2 GLN A 64 -4.877 2.749 -0.317 1.00 0.00 N ATOM 0 H GLN A 64 -3.971 -1.374 4.426 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.640 -1.219 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.133 -1.014 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.075 0.375 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.190 1.176 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.083 0.108 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.966 2.716 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.519 3.517 -0.513 1.00 0.00 H new ATOM 904 N ILE A 65 -1.151 0.459 2.754 1.00 0.00 N ATOM 905 CA ILE A 65 -0.246 1.479 3.256 1.00 0.00 C ATOM 906 C ILE A 65 -0.483 2.785 2.495 1.00 0.00 C ATOM 907 O ILE A 65 0.192 3.063 1.506 1.00 0.00 O ATOM 908 CB ILE A 65 1.202 0.987 3.195 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.414 -0.210 4.125 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.181 2.124 3.493 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.493 -1.146 3.577 1.00 0.00 C ATOM 0 H ILE A 65 -0.744 -0.168 2.060 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.447 1.681 4.308 1.00 0.00 H new ATOM 0 HB ILE A 65 1.404 0.646 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.701 0.141 5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.478 -0.756 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.203 1.747 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.051 2.918 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.988 2.518 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.624 -1.988 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.191 -1.515 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.434 -0.603 3.487 1.00 0.00 H new ATOM 923 N VAL A 66 -1.446 3.551 2.986 1.00 0.00 N ATOM 924 CA VAL A 66 -1.782 4.821 2.366 1.00 0.00 C ATOM 925 C VAL A 66 -0.588 5.771 2.481 1.00 0.00 C ATOM 926 O VAL A 66 -0.333 6.567 1.578 1.00 0.00 O ATOM 927 CB VAL A 66 -3.059 5.388 2.990 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.435 6.725 2.349 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.210 4.386 2.886 1.00 0.00 C ATOM 0 H VAL A 66 -2.004 3.316 3.807 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.989 4.684 1.305 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.865 5.567 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.346 7.106 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.626 7.440 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.601 6.583 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.106 4.813 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.403 4.161 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.942 3.469 3.410 1.00 0.00 H new ATOM 939 N GLU A 67 0.113 5.657 3.599 1.00 0.00 N ATOM 940 CA GLU A 67 1.274 6.496 3.844 1.00 0.00 C ATOM 941 C GLU A 67 2.312 5.737 4.673 1.00 0.00 C ATOM 942 O GLU A 67 1.974 4.791 5.383 1.00 0.00 O ATOM 943 CB GLU A 67 0.872 7.802 4.533 1.00 0.00 C ATOM 944 CG GLU A 67 2.019 8.349 5.385 1.00 0.00 C ATOM 945 CD GLU A 67 1.618 9.657 6.069 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.253 10.596 5.329 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.685 9.688 7.317 1.00 0.00 O ATOM 0 H GLU A 67 -0.101 4.996 4.346 1.00 0.00 H new ATOM 0 HA GLU A 67 1.721 6.753 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.587 8.540 3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.003 7.632 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.301 7.613 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.895 8.516 4.758 1.00 0.00 H new ATOM 954 N VAL A 68 3.555 6.180 4.555 1.00 0.00 N ATOM 955 CA VAL A 68 4.645 5.554 5.285 1.00 0.00 C ATOM 956 C VAL A 68 5.637 6.629 5.733 1.00 0.00 C ATOM 957 O VAL A 68 6.283 7.268 4.903 1.00 0.00 O ATOM 958 CB VAL A 68 5.291 4.464 4.426 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.793 4.712 4.265 1.00 0.00 C ATOM 960 CG2 VAL A 68 5.025 3.076 5.011 1.00 0.00 C ATOM 0 H VAL A 68 3.832 6.965 3.965 1.00 0.00 H new ATOM 0 HA VAL A 68 4.271 5.063 6.183 1.00 0.00 H new ATOM 0 HB VAL A 68 4.836 4.503 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.228 3.924 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.953 5.677 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.269 4.712 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.495 2.320 4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.440 3.020 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.950 2.898 5.051 1.00 0.00 H new ATOM 970 N ASP A 69 5.727 6.796 7.044 1.00 0.00 N ATOM 971 CA ASP A 69 6.630 7.783 7.612 1.00 0.00 C ATOM 972 C ASP A 69 6.308 9.159 7.026 1.00 0.00 C ATOM 973 O ASP A 69 7.179 10.025 6.951 1.00 0.00 O ATOM 974 CB ASP A 69 8.086 7.455 7.277 1.00 0.00 C ATOM 975 CG ASP A 69 9.104 8.506 7.723 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.947 9.003 8.859 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.017 8.790 6.917 1.00 0.00 O ATOM 0 H ASP A 69 5.190 6.265 7.729 1.00 0.00 H new ATOM 0 HA ASP A 69 6.499 7.777 8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.344 6.502 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.174 7.320 6.199 1.00 0.00 H new ATOM 982 N GLY A 70 5.055 9.319 6.626 1.00 0.00 N ATOM 983 CA GLY A 70 4.607 10.575 6.049 1.00 0.00 C ATOM 984 C GLY A 70 4.540 10.484 4.523 1.00 0.00 C ATOM 985 O GLY A 70 3.785 11.218 3.887 1.00 0.00 O ATOM 0 H GLY A 70 4.335 8.599 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.624 10.831 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.287 11.376 6.340 1.00 0.00 H new ATOM 989 N ILE A 71 5.341 9.578 3.980 1.00 0.00 N ATOM 990 CA ILE A 71 5.382 9.382 2.541 1.00 0.00 C ATOM 991 C ILE A 71 4.060 8.768 2.077 1.00 0.00 C ATOM 992 O ILE A 71 3.502 7.903 2.751 1.00 0.00 O ATOM 993 CB ILE A 71 6.613 8.564 2.147 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.902 9.311 2.493 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.558 8.169 0.670 1.00 0.00 C ATOM 996 CD1 ILE A 71 9.131 8.444 2.212 1.00 0.00 C ATOM 0 H ILE A 71 5.966 8.972 4.511 1.00 0.00 H new ATOM 0 HA ILE A 71 5.487 10.338 2.028 1.00 0.00 H new ATOM 0 HB ILE A 71 6.611 7.642 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.961 10.231 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.889 9.599 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.445 7.588 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.666 7.569 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.524 9.068 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.034 8.999 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.081 7.536 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.155 8.178 1.155 1.00 0.00 H new ATOM 1008 N SER A 72 3.597 9.238 0.928 1.00 0.00 N ATOM 1009 CA SER A 72 2.351 8.746 0.365 1.00 0.00 C ATOM 1010 C SER A 72 2.636 7.622 -0.633 1.00 0.00 C ATOM 1011 O SER A 72 3.537 7.738 -1.462 1.00 0.00 O ATOM 1012 CB SER A 72 1.569 9.873 -0.312 1.00 0.00 C ATOM 1013 OG SER A 72 0.531 9.373 -1.151 1.00 0.00 O ATOM 0 H SER A 72 4.063 9.955 0.371 1.00 0.00 H new ATOM 0 HA SER A 72 1.739 8.355 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.138 10.524 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.251 10.483 -0.904 1.00 0.00 H new ATOM 0 HG SER A 72 0.054 10.123 -1.564 1.00 0.00 H new ATOM 1019 N LEU A 73 1.850 6.561 -0.522 1.00 0.00 N ATOM 1020 CA LEU A 73 2.006 5.418 -1.405 1.00 0.00 C ATOM 1021 C LEU A 73 0.727 5.233 -2.223 1.00 0.00 C ATOM 1022 O LEU A 73 0.349 4.107 -2.544 1.00 0.00 O ATOM 1023 CB LEU A 73 2.412 4.177 -0.607 1.00 0.00 C ATOM 1024 CG LEU A 73 3.626 4.336 0.310 1.00 0.00 C ATOM 1025 CD1 LEU A 73 3.903 3.043 1.081 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.850 4.808 -0.477 1.00 0.00 C ATOM 0 H LEU A 73 1.103 6.469 0.166 1.00 0.00 H new ATOM 0 HA LEU A 73 2.815 5.591 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.562 3.866 -0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.616 3.369 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 73 3.400 5.108 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.771 3.183 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.035 2.790 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.100 2.235 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.699 4.913 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.090 4.078 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.635 5.770 -0.941 1.00 0.00 H new ATOM 1038 N VAL A 74 0.097 6.354 -2.539 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.132 6.330 -3.314 1.00 0.00 C ATOM 1040 C VAL A 74 -0.845 6.829 -4.732 1.00 0.00 C ATOM 1041 O VAL A 74 -0.177 7.845 -4.913 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.216 7.142 -2.603 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -3.489 7.216 -3.448 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -2.511 6.566 -1.216 1.00 0.00 C ATOM 0 H VAL A 74 0.415 7.286 -2.272 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.511 5.311 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.842 8.157 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.243 7.799 -2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.265 7.693 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.867 6.209 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.285 7.161 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.854 5.536 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.604 6.589 -0.612 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.366 6.090 -5.701 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.174 6.445 -7.097 1.00 0.00 C ATOM 1056 C GLY A 75 0.309 6.412 -7.473 1.00 0.00 C ATOM 1057 O GLY A 75 0.768 7.224 -8.275 1.00 0.00 O ATOM 0 H GLY A 75 -1.920 5.248 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.729 5.754 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.577 7.441 -7.281 1.00 0.00 H new ATOM 1061 N VAL A 76 1.017 5.466 -6.875 1.00 0.00 N ATOM 1062 CA VAL A 76 2.439 5.317 -7.136 1.00 0.00 C ATOM 1063 C VAL A 76 2.742 3.853 -7.461 1.00 0.00 C ATOM 1064 O VAL A 76 2.135 2.948 -6.892 1.00 0.00 O ATOM 1065 CB VAL A 76 3.247 5.846 -5.950 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.819 7.269 -5.586 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.127 4.912 -4.744 1.00 0.00 C ATOM 0 H VAL A 76 0.633 4.795 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 76 2.733 5.910 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 76 4.295 5.877 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.409 7.621 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.980 7.927 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.762 7.274 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.711 5.312 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.081 4.834 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.503 3.924 -5.010 1.00 0.00 H new ATOM 1077 N THR A 77 3.683 3.666 -8.376 1.00 0.00 N ATOM 1078 CA THR A 77 4.075 2.327 -8.783 1.00 0.00 C ATOM 1079 C THR A 77 4.795 1.611 -7.640 1.00 0.00 C ATOM 1080 O THR A 77 5.586 2.220 -6.921 1.00 0.00 O ATOM 1081 CB THR A 77 4.920 2.448 -10.053 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.295 1.106 -10.349 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.251 3.161 -9.805 1.00 0.00 C ATOM 0 H THR A 77 4.185 4.419 -8.847 1.00 0.00 H new ATOM 0 HA THR A 77 3.204 1.712 -9.011 1.00 0.00 H new ATOM 0 HB THR A 77 4.356 2.987 -10.814 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.845 1.091 -11.160 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.811 3.220 -10.738 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.061 4.167 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.830 2.604 -9.068 1.00 0.00 H new ATOM 1091 N GLN A 78 4.496 0.327 -7.506 1.00 0.00 N ATOM 1092 CA GLN A 78 5.105 -0.479 -6.462 1.00 0.00 C ATOM 1093 C GLN A 78 6.575 -0.094 -6.284 1.00 0.00 C ATOM 1094 O GLN A 78 7.058 0.023 -5.159 1.00 0.00 O ATOM 1095 CB GLN A 78 4.962 -1.971 -6.767 1.00 0.00 C ATOM 1096 CG GLN A 78 5.061 -2.804 -5.488 1.00 0.00 C ATOM 1097 CD GLN A 78 6.097 -3.921 -5.639 1.00 0.00 C ATOM 1098 OE1 GLN A 78 6.904 -3.933 -6.553 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.028 -4.854 -4.694 1.00 0.00 N ATOM 0 H GLN A 78 3.839 -0.175 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 78 4.582 -0.282 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.004 -2.156 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.739 -2.279 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.334 -2.161 -4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.088 -3.235 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.327 -4.782 -3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.676 -5.641 -4.706 1.00 0.00 H new ATOM 1108 N ASN A 79 7.246 0.093 -7.412 1.00 0.00 N ATOM 1109 CA ASN A 79 8.651 0.462 -7.394 1.00 0.00 C ATOM 1110 C ASN A 79 8.867 1.582 -6.374 1.00 0.00 C ATOM 1111 O ASN A 79 9.793 1.521 -5.567 1.00 0.00 O ATOM 1112 CB ASN A 79 9.102 0.976 -8.763 1.00 0.00 C ATOM 1113 CG ASN A 79 10.239 0.119 -9.322 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.447 -1.017 -8.928 1.00 0.00 O ATOM 1115 ND2 ASN A 79 10.962 0.725 -10.261 1.00 0.00 N ATOM 0 H ASN A 79 6.842 -0.004 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 79 9.229 -0.424 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.260 0.966 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.431 2.012 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.744 0.237 -10.697 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.734 1.678 -10.545 1.00 0.00 H new ATOM 1122 N PHE A 80 7.997 2.579 -6.444 1.00 0.00 N ATOM 1123 CA PHE A 80 8.081 3.711 -5.537 1.00 0.00 C ATOM 1124 C PHE A 80 7.986 3.253 -4.080 1.00 0.00 C ATOM 1125 O PHE A 80 8.877 3.532 -3.279 1.00 0.00 O ATOM 1126 CB PHE A 80 6.894 4.624 -5.851 1.00 0.00 C ATOM 1127 CG PHE A 80 6.762 5.820 -4.905 1.00 0.00 C ATOM 1128 CD1 PHE A 80 6.122 5.677 -3.714 1.00 0.00 C ATOM 1129 CD2 PHE A 80 7.285 7.025 -5.255 1.00 0.00 C ATOM 1130 CE1 PHE A 80 6.000 6.786 -2.836 1.00 0.00 C ATOM 1131 CE2 PHE A 80 7.163 8.134 -4.377 1.00 0.00 C ATOM 1132 CZ PHE A 80 6.523 7.991 -3.186 1.00 0.00 C ATOM 0 H PHE A 80 7.230 2.626 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 80 9.034 4.224 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.991 4.991 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.976 4.037 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.706 4.720 -3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.793 7.139 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.492 6.672 -1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.579 9.091 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.430 8.835 -2.518 1.00 0.00 H new ATOM 1142 N ALA A 81 6.897 2.560 -3.781 1.00 0.00 N ATOM 1143 CA ALA A 81 6.674 2.061 -2.434 1.00 0.00 C ATOM 1144 C ALA A 81 7.900 1.266 -1.980 1.00 0.00 C ATOM 1145 O ALA A 81 8.388 1.453 -0.867 1.00 0.00 O ATOM 1146 CB ALA A 81 5.393 1.226 -2.404 1.00 0.00 C ATOM 0 H ALA A 81 6.160 2.332 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 81 6.540 2.887 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.226 0.852 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.548 1.845 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.491 0.385 -3.091 1.00 0.00 H new ATOM 1152 N ALA A 82 8.361 0.394 -2.865 1.00 0.00 N ATOM 1153 CA ALA A 82 9.520 -0.430 -2.569 1.00 0.00 C ATOM 1154 C ALA A 82 10.679 0.466 -2.128 1.00 0.00 C ATOM 1155 O ALA A 82 11.367 0.163 -1.154 1.00 0.00 O ATOM 1156 CB ALA A 82 9.871 -1.277 -3.794 1.00 0.00 C ATOM 0 H ALA A 82 7.953 0.241 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 82 9.304 -1.116 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.741 -1.895 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.026 -1.917 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.097 -0.623 -4.636 1.00 0.00 H new ATOM 1162 N THR A 83 10.860 1.551 -2.865 1.00 0.00 N ATOM 1163 CA THR A 83 11.924 2.494 -2.563 1.00 0.00 C ATOM 1164 C THR A 83 11.675 3.161 -1.209 1.00 0.00 C ATOM 1165 O THR A 83 12.566 3.204 -0.361 1.00 0.00 O ATOM 1166 CB THR A 83 12.019 3.488 -3.722 1.00 0.00 C ATOM 1167 OG1 THR A 83 12.663 2.752 -4.758 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.983 4.639 -3.428 1.00 0.00 C ATOM 0 H THR A 83 10.287 1.799 -3.672 1.00 0.00 H new ATOM 0 HA THR A 83 12.886 1.989 -2.470 1.00 0.00 H new ATOM 0 HB THR A 83 11.029 3.890 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.999 2.218 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.013 5.315 -4.282 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.643 5.183 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.981 4.240 -3.245 1.00 0.00 H new ATOM 1176 N VAL A 84 10.461 3.665 -1.047 1.00 0.00 N ATOM 1177 CA VAL A 84 10.084 4.329 0.190 1.00 0.00 C ATOM 1178 C VAL A 84 10.340 3.386 1.367 1.00 0.00 C ATOM 1179 O VAL A 84 11.092 3.719 2.282 1.00 0.00 O ATOM 1180 CB VAL A 84 8.632 4.803 0.108 1.00 0.00 C ATOM 1181 CG1 VAL A 84 8.095 5.167 1.494 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.493 5.979 -0.860 1.00 0.00 C ATOM 0 H VAL A 84 9.725 3.627 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 84 10.693 5.219 0.348 1.00 0.00 H new ATOM 0 HB VAL A 84 8.032 3.979 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.061 5.501 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.141 4.293 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.700 5.967 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.451 6.296 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.112 6.808 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.817 5.672 -1.854 1.00 0.00 H new ATOM 1192 N LEU A 85 9.700 2.227 1.307 1.00 0.00 N ATOM 1193 CA LEU A 85 9.849 1.234 2.356 1.00 0.00 C ATOM 1194 C LEU A 85 11.337 0.975 2.600 1.00 0.00 C ATOM 1195 O LEU A 85 11.732 0.595 3.701 1.00 0.00 O ATOM 1196 CB LEU A 85 9.052 -0.027 2.018 1.00 0.00 C ATOM 1197 CG LEU A 85 7.530 0.128 1.992 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.866 -1.088 1.341 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.982 0.397 3.394 1.00 0.00 C ATOM 0 H LEU A 85 9.077 1.954 0.547 1.00 0.00 H new ATOM 0 HA LEU A 85 9.432 1.604 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.377 -0.388 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.306 -0.799 2.744 1.00 0.00 H new ATOM 0 HG LEU A 85 7.286 0.996 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.784 -0.952 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.224 -1.193 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.116 -1.985 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.898 0.503 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.237 -0.435 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.420 1.315 3.786 1.00 0.00 H new ATOM 1211 N ARG A 86 12.121 1.189 1.554 1.00 0.00 N ATOM 1212 CA ARG A 86 13.557 0.983 1.640 1.00 0.00 C ATOM 1213 C ARG A 86 14.236 2.222 2.227 1.00 0.00 C ATOM 1214 O ARG A 86 15.326 2.129 2.790 1.00 0.00 O ATOM 1215 CB ARG A 86 14.155 0.687 0.263 1.00 0.00 C ATOM 1216 CG ARG A 86 13.916 -0.771 -0.135 1.00 0.00 C ATOM 1217 CD ARG A 86 14.000 -0.945 -1.653 1.00 0.00 C ATOM 1218 NE ARG A 86 14.802 -2.145 -1.981 1.00 0.00 N ATOM 1219 CZ ARG A 86 16.141 -2.171 -2.002 1.00 0.00 C ATOM 1220 NH1 ARG A 86 16.837 -1.063 -1.714 1.00 0.00 N ATOM 1221 NH2 ARG A 86 16.785 -3.305 -2.311 1.00 0.00 N ATOM 0 H ARG A 86 11.789 1.503 0.642 1.00 0.00 H new ATOM 0 HA ARG A 86 13.731 0.126 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.711 1.349 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 86 15.225 0.894 0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.654 -1.410 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.936 -1.092 0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 86 12.998 -1.041 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.451 -0.061 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 86 14.304 -3.006 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.347 -0.200 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.857 -1.083 -1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.255 -4.149 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.805 -3.324 -2.327 1.00 0.00 H new ATOM 1235 N ASN A 87 13.565 3.354 2.076 1.00 0.00 N ATOM 1236 CA ASN A 87 14.090 4.610 2.584 1.00 0.00 C ATOM 1237 C ASN A 87 13.893 4.664 4.100 1.00 0.00 C ATOM 1238 O ASN A 87 14.786 5.088 4.831 1.00 0.00 O ATOM 1239 CB ASN A 87 13.356 5.803 1.969 1.00 0.00 C ATOM 1240 CG ASN A 87 14.055 6.279 0.694 1.00 0.00 C ATOM 1241 OD1 ASN A 87 15.268 6.391 0.625 1.00 0.00 O ATOM 1242 ND2 ASN A 87 13.225 6.551 -0.309 1.00 0.00 N ATOM 0 H ASN A 87 12.661 3.428 1.609 1.00 0.00 H new ATOM 0 HA ASN A 87 15.147 4.664 2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.327 5.524 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.312 6.619 2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.594 6.875 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.219 6.436 -0.184 1.00 0.00 H new ATOM 1249 N THR A 88 12.717 4.228 4.528 1.00 0.00 N ATOM 1250 CA THR A 88 12.391 4.221 5.944 1.00 0.00 C ATOM 1251 C THR A 88 13.599 3.769 6.767 1.00 0.00 C ATOM 1252 O THR A 88 14.527 3.164 6.233 1.00 0.00 O ATOM 1253 CB THR A 88 11.157 3.339 6.141 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.580 2.049 5.707 1.00 0.00 O ATOM 1255 CG2 THR A 88 10.020 3.700 5.183 1.00 0.00 C ATOM 0 H THR A 88 11.978 3.877 3.919 1.00 0.00 H new ATOM 0 HA THR A 88 12.152 5.223 6.300 1.00 0.00 H new ATOM 0 HB THR A 88 10.807 3.429 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.622 2.031 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.169 3.044 5.365 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.722 4.736 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.359 3.578 4.154 1.00 0.00 H new ATOM 1263 N LYS A 89 13.548 4.081 8.054 1.00 0.00 N ATOM 1264 CA LYS A 89 14.626 3.714 8.956 1.00 0.00 C ATOM 1265 C LYS A 89 14.035 3.118 10.235 1.00 0.00 C ATOM 1266 O LYS A 89 12.840 2.834 10.297 1.00 0.00 O ATOM 1267 CB LYS A 89 15.548 4.910 9.203 1.00 0.00 C ATOM 1268 CG LYS A 89 16.281 5.312 7.922 1.00 0.00 C ATOM 1269 CD LYS A 89 17.727 4.811 7.938 1.00 0.00 C ATOM 1270 CE LYS A 89 17.848 3.461 7.229 1.00 0.00 C ATOM 1271 NZ LYS A 89 19.225 3.262 6.723 1.00 0.00 N ATOM 0 H LYS A 89 12.777 4.584 8.493 1.00 0.00 H new ATOM 0 HA LYS A 89 15.254 2.945 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.964 5.753 9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.273 4.661 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.760 4.902 7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.269 6.397 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.374 5.541 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.072 4.717 8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.588 2.657 7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.140 3.413 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.289 2.341 6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.460 4.019 6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.894 3.286 7.519 1.00 0.00 H new ATOM 1285 N GLY A 90 14.900 2.947 11.224 1.00 0.00 N ATOM 1286 CA GLY A 90 14.478 2.390 12.499 1.00 0.00 C ATOM 1287 C GLY A 90 12.958 2.464 12.653 1.00 0.00 C ATOM 1288 O GLY A 90 12.255 1.491 12.384 1.00 0.00 O ATOM 0 H GLY A 90 15.891 3.184 11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.805 1.353 12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.957 2.933 13.314 1.00 0.00 H new ATOM 1292 N ASN A 91 12.495 3.628 13.086 1.00 0.00 N ATOM 1293 CA ASN A 91 11.071 3.841 13.280 1.00 0.00 C ATOM 1294 C ASN A 91 10.412 4.119 11.927 1.00 0.00 C ATOM 1295 O ASN A 91 10.965 4.843 11.100 1.00 0.00 O ATOM 1296 CB ASN A 91 10.813 5.046 14.186 1.00 0.00 C ATOM 1297 CG ASN A 91 9.312 5.280 14.374 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.702 6.113 13.724 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.755 4.502 15.297 1.00 0.00 N ATOM 0 H ASN A 91 13.081 4.433 13.308 1.00 0.00 H new ATOM 0 HA ASN A 91 10.656 2.945 13.743 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.284 4.884 15.156 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.272 5.935 13.754 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.758 4.582 15.498 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.325 3.825 15.805 1.00 0.00 H new ATOM 1306 N VAL A 92 9.241 3.528 11.742 1.00 0.00 N ATOM 1307 CA VAL A 92 8.502 3.702 10.504 1.00 0.00 C ATOM 1308 C VAL A 92 7.008 3.814 10.818 1.00 0.00 C ATOM 1309 O VAL A 92 6.425 2.907 11.409 1.00 0.00 O ATOM 1310 CB VAL A 92 8.825 2.562 9.536 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.078 2.737 8.212 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.334 2.451 9.304 1.00 0.00 C ATOM 0 H VAL A 92 8.786 2.928 12.430 1.00 0.00 H new ATOM 0 HA VAL A 92 8.801 4.626 10.008 1.00 0.00 H new ATOM 0 HB VAL A 92 8.486 1.631 9.990 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.326 1.913 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.004 2.743 8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.371 3.680 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.537 1.633 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.707 3.384 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.835 2.256 10.252 1.00 0.00 H new ATOM 1322 N ARG A 93 6.432 4.934 10.407 1.00 0.00 N ATOM 1323 CA ARG A 93 5.018 5.176 10.637 1.00 0.00 C ATOM 1324 C ARG A 93 4.200 4.741 9.419 1.00 0.00 C ATOM 1325 O ARG A 93 4.307 5.339 8.349 1.00 0.00 O ATOM 1326 CB ARG A 93 4.751 6.656 10.919 1.00 0.00 C ATOM 1327 CG ARG A 93 3.994 6.834 12.237 1.00 0.00 C ATOM 1328 CD ARG A 93 4.791 7.700 13.215 1.00 0.00 C ATOM 1329 NE ARG A 93 4.133 9.015 13.379 1.00 0.00 N ATOM 1330 CZ ARG A 93 4.323 10.057 12.558 1.00 0.00 C ATOM 1331 NH1 ARG A 93 5.151 9.944 11.511 1.00 0.00 N ATOM 1332 NH2 ARG A 93 3.684 11.213 12.784 1.00 0.00 N ATOM 0 H ARG A 93 6.919 5.684 9.916 1.00 0.00 H new ATOM 0 HA ARG A 93 4.719 4.592 11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.696 7.198 10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.173 7.087 10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.025 7.294 12.045 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.800 5.859 12.684 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.866 7.199 14.180 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.808 7.836 12.847 1.00 0.00 H new ATOM 0 HE ARG A 93 3.495 9.136 14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.637 9.064 11.338 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.295 10.738 10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 93 3.053 11.300 13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.829 12.006 12.159 1.00 0.00 H new ATOM 1346 N PHE A 94 3.401 3.704 9.622 1.00 0.00 N ATOM 1347 CA PHE A 94 2.566 3.182 8.555 1.00 0.00 C ATOM 1348 C PHE A 94 1.098 3.552 8.776 1.00 0.00 C ATOM 1349 O PHE A 94 0.492 3.139 9.763 1.00 0.00 O ATOM 1350 CB PHE A 94 2.704 1.658 8.582 1.00 0.00 C ATOM 1351 CG PHE A 94 4.112 1.156 8.256 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.510 1.038 6.961 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.966 0.827 9.262 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.816 0.571 6.659 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.273 0.360 8.960 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.671 0.242 7.665 1.00 0.00 C ATOM 0 H PHE A 94 3.315 3.211 10.511 1.00 0.00 H new ATOM 0 HA PHE A 94 2.880 3.602 7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.419 1.295 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.001 1.227 7.869 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.832 1.300 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.650 0.921 10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.131 0.477 5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.951 0.099 9.759 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.665 -0.113 7.435 1.00 0.00 H new ATOM 1366 N VAL A 95 0.569 4.328 7.840 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.816 4.759 7.921 1.00 0.00 C ATOM 1368 C VAL A 95 -1.690 3.808 7.100 1.00 0.00 C ATOM 1369 O VAL A 95 -1.872 4.007 5.900 1.00 0.00 O ATOM 1370 CB VAL A 95 -0.937 6.217 7.475 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.313 6.491 6.864 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.653 7.171 8.637 1.00 0.00 C ATOM 0 H VAL A 95 1.075 4.669 7.022 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.169 4.718 8.951 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.187 6.395 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.373 7.535 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.461 5.847 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.087 6.287 7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.746 8.201 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.369 6.991 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.358 7.002 9.008 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.208 2.796 7.780 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.058 1.814 7.129 1.00 0.00 C ATOM 1384 C ILE A 96 -4.477 2.374 7.009 1.00 0.00 C ATOM 1385 O ILE A 96 -4.878 3.231 7.794 1.00 0.00 O ATOM 1386 CB ILE A 96 -2.986 0.473 7.862 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.571 0.205 8.378 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.498 -0.665 6.975 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.528 0.506 7.299 1.00 0.00 C ATOM 0 H ILE A 96 -2.055 2.635 8.776 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.706 1.617 6.116 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.641 0.524 8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.378 0.820 9.257 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.485 -0.835 8.692 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.436 -1.607 7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.535 -0.473 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.888 -0.726 6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.469 0.307 7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.709 -0.128 6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.600 1.553 7.005 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.197 1.866 6.020 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.563 2.305 5.787 1.00 0.00 C ATOM 1403 C GLY A 97 -7.544 1.138 5.919 1.00 0.00 C ATOM 1404 O GLY A 97 -7.657 0.312 5.015 1.00 0.00 O ATOM 0 H GLY A 97 -4.861 1.155 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.824 3.087 6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.644 2.742 4.792 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.227 1.107 7.054 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.195 0.055 7.316 1.00 0.00 C ATOM 1410 C ARG A 98 -10.616 0.623 7.293 1.00 0.00 C ATOM 1411 O ARG A 98 -10.870 1.692 7.846 1.00 0.00 O ATOM 1412 CB ARG A 98 -8.938 -0.603 8.673 1.00 0.00 C ATOM 1413 CG ARG A 98 -9.231 -2.104 8.618 1.00 0.00 C ATOM 1414 CD ARG A 98 -8.075 -2.911 9.212 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.826 -4.118 8.393 1.00 0.00 N ATOM 1416 CZ ARG A 98 -8.624 -5.195 8.381 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -9.725 -5.221 9.144 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -8.320 -6.245 7.606 1.00 0.00 N ATOM 0 H ARG A 98 -8.129 1.793 7.802 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.088 -0.697 6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.901 -0.442 8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.563 -0.134 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.148 -2.319 9.166 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.398 -2.408 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.175 -2.297 9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.311 -3.199 10.237 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.996 -4.131 7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.956 -4.421 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.332 -6.040 9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.482 -6.225 7.025 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.927 -7.065 7.597 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.504 -0.118 6.647 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.893 0.299 6.544 1.00 0.00 C ATOM 1434 C GLU A 99 -13.645 -0.043 7.832 1.00 0.00 C ATOM 1435 O GLU A 99 -13.523 -1.151 8.351 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.568 -0.339 5.329 1.00 0.00 C ATOM 1437 CG GLU A 99 -14.286 -1.633 5.716 1.00 0.00 C ATOM 1438 CD GLU A 99 -14.496 -2.531 4.495 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -13.589 -2.540 3.635 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -15.558 -3.188 4.450 1.00 0.00 O ATOM 0 H GLU A 99 -11.289 -1.004 6.190 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.919 1.380 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.282 0.361 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.822 -0.548 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.703 -2.166 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.249 -1.397 6.168 1.00 0.00 H new