USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 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+ -178:sc= 1.03 (180deg=0.83) USER MOD Set 1.2: A 88 THR OG1 : rot -171:sc= -1.13 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= -0.111 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.3!) USER MOD Single : A 60 GLN : amide:sc= -1.33! K(o=-1.3!,f=-3.6) USER MOD Single : A 62 ASN : amide:sc= -3.93! C(o=-3.9!,f=-4!) USER MOD Single : A 64 GLN : amide:sc= -0.309 K(o=-0.31,f=-0.89) USER MOD Single : A 72 SER OG : rot 180:sc= 0.109 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0124 K(o=-0.012,f=-1.5) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.101 F(o=-0.68,f=-0.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.283 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 -10.539 4.030 7.391 1.00 0.00 N ATOM 86 CA GLU A 9 -9.903 4.293 8.671 1.00 0.00 C ATOM 87 C GLU A 9 -8.390 4.434 8.493 1.00 0.00 C ATOM 88 O GLU A 9 -7.666 3.440 8.489 1.00 0.00 O ATOM 89 CB GLU A 9 -10.236 3.196 9.684 1.00 0.00 C ATOM 90 CG GLU A 9 -9.076 2.979 10.658 1.00 0.00 C ATOM 91 CD GLU A 9 -9.578 2.427 11.994 1.00 0.00 C ATOM 92 OE1 GLU A 9 -10.203 1.345 11.962 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.326 3.100 13.016 1.00 0.00 O ATOM 0 HA GLU A 9 -10.292 5.233 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.135 3.468 10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.454 2.266 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.355 2.287 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.554 3.921 10.823 1.00 0.00 H new ATOM 100 N LEU A 10 -7.957 5.678 8.351 1.00 0.00 N ATOM 101 CA LEU A 10 -6.543 5.963 8.173 1.00 0.00 C ATOM 102 C LEU A 10 -5.916 6.278 9.533 1.00 0.00 C ATOM 103 O LEU A 10 -6.204 7.316 10.127 1.00 0.00 O ATOM 104 CB LEU A 10 -6.345 7.067 7.133 1.00 0.00 C ATOM 105 CG LEU A 10 -6.911 6.786 5.740 1.00 0.00 C ATOM 106 CD1 LEU A 10 -6.550 5.374 5.276 1.00 0.00 C ATOM 107 CD2 LEU A 10 -8.420 7.034 5.701 1.00 0.00 C ATOM 0 H LEU A 10 -8.560 6.500 8.356 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.025 5.089 7.777 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.802 7.981 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.277 7.261 7.037 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.452 7.482 5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.965 5.200 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.466 5.269 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.962 4.645 5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.797 6.827 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.915 6.379 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.625 8.073 5.958 1.00 0.00 H new ATOM 119 N PHE A 11 -5.071 5.364 9.985 1.00 0.00 N ATOM 120 CA PHE A 11 -4.400 5.532 11.263 1.00 0.00 C ATOM 121 C PHE A 11 -2.902 5.249 11.138 1.00 0.00 C ATOM 122 O PHE A 11 -2.503 4.256 10.532 1.00 0.00 O ATOM 123 CB PHE A 11 -5.020 4.520 12.229 1.00 0.00 C ATOM 124 CG PHE A 11 -5.020 3.081 11.708 1.00 0.00 C ATOM 125 CD1 PHE A 11 -5.934 2.695 10.778 1.00 0.00 C ATOM 126 CD2 PHE A 11 -4.106 2.189 12.174 1.00 0.00 C ATOM 127 CE1 PHE A 11 -5.934 1.360 10.294 1.00 0.00 C ATOM 128 CE2 PHE A 11 -4.106 0.854 11.690 1.00 0.00 C ATOM 129 CZ PHE A 11 -5.020 0.468 10.760 1.00 0.00 C ATOM 0 H PHE A 11 -4.835 4.504 9.489 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.520 6.557 11.614 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.476 4.554 13.173 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.046 4.818 12.442 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.660 3.404 10.408 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.380 2.496 12.912 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.660 1.053 9.556 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.380 0.145 12.060 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.020 -0.547 10.392 1.00 0.00 H new ATOM 139 N PRO A 12 -2.093 6.163 11.737 1.00 0.00 N ATOM 140 CA PRO A 12 -0.647 6.021 11.699 1.00 0.00 C ATOM 141 C PRO A 12 -0.178 4.925 12.658 1.00 0.00 C ATOM 142 O PRO A 12 -0.605 4.880 13.811 1.00 0.00 O ATOM 143 CB PRO A 12 -0.107 7.396 12.058 1.00 0.00 C ATOM 144 CG PRO A 12 -1.254 8.130 12.735 1.00 0.00 C ATOM 145 CD PRO A 12 -2.530 7.350 12.465 1.00 0.00 C ATOM 0 HA PRO A 12 -0.281 5.707 10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.753 7.317 12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.227 7.929 11.168 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.076 8.211 13.807 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.338 9.146 12.348 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.034 7.082 13.394 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.236 7.937 11.878 1.00 0.00 H new ATOM 153 N VAL A 13 0.695 4.070 12.147 1.00 0.00 N ATOM 154 CA VAL A 13 1.227 2.977 12.943 1.00 0.00 C ATOM 155 C VAL A 13 2.754 3.062 12.963 1.00 0.00 C ATOM 156 O VAL A 13 3.390 3.116 11.911 1.00 0.00 O ATOM 157 CB VAL A 13 0.709 1.640 12.410 1.00 0.00 C ATOM 158 CG1 VAL A 13 1.554 0.477 12.933 1.00 0.00 C ATOM 159 CG2 VAL A 13 -0.768 1.445 12.758 1.00 0.00 C ATOM 0 H VAL A 13 1.048 4.112 11.191 1.00 0.00 H new ATOM 0 HA VAL A 13 0.884 3.054 13.975 1.00 0.00 H new ATOM 0 HB VAL A 13 0.797 1.656 11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.164 -0.462 12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.588 0.605 12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.513 0.458 14.022 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.110 0.487 12.367 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.892 1.460 13.841 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.356 2.249 12.314 1.00 0.00 H new ATOM 169 N GLU A 14 3.300 3.072 14.170 1.00 0.00 N ATOM 170 CA GLU A 14 4.740 3.150 14.340 1.00 0.00 C ATOM 171 C GLU A 14 5.357 1.751 14.288 1.00 0.00 C ATOM 172 O GLU A 14 4.810 0.806 14.853 1.00 0.00 O ATOM 173 CB GLU A 14 5.101 3.860 15.647 1.00 0.00 C ATOM 174 CG GLU A 14 4.696 5.335 15.599 1.00 0.00 C ATOM 175 CD GLU A 14 4.070 5.774 16.925 1.00 0.00 C ATOM 176 OE1 GLU A 14 2.975 5.257 17.234 1.00 0.00 O ATOM 177 OE2 GLU A 14 4.700 6.618 17.598 1.00 0.00 O ATOM 0 H GLU A 14 2.770 3.027 15.040 1.00 0.00 H new ATOM 0 HA GLU A 14 5.151 3.738 13.520 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.601 3.369 16.482 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.173 3.779 15.825 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.570 5.949 15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.987 5.495 14.787 1.00 0.00 H new ATOM 184 N LEU A 15 6.489 1.663 13.605 1.00 0.00 N ATOM 185 CA LEU A 15 7.186 0.395 13.472 1.00 0.00 C ATOM 186 C LEU A 15 8.695 0.638 13.547 1.00 0.00 C ATOM 187 O LEU A 15 9.203 1.597 12.968 1.00 0.00 O ATOM 188 CB LEU A 15 6.743 -0.329 12.199 1.00 0.00 C ATOM 189 CG LEU A 15 5.799 -1.517 12.398 1.00 0.00 C ATOM 190 CD1 LEU A 15 5.437 -2.160 11.057 1.00 0.00 C ATOM 191 CD2 LEU A 15 6.392 -2.530 13.378 1.00 0.00 C ATOM 0 H LEU A 15 6.941 2.449 13.138 1.00 0.00 H new ATOM 0 HA LEU A 15 6.928 -0.270 14.296 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.254 0.393 11.545 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.633 -0.681 11.676 1.00 0.00 H new ATOM 0 HG LEU A 15 4.873 -1.148 12.838 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.765 -3.002 11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.944 -1.424 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.344 -2.513 10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.701 -3.364 13.502 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.341 -2.899 12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.557 -2.050 14.342 1.00 0.00 H new ATOM 203 N GLU A 16 9.369 -0.248 14.266 1.00 0.00 N ATOM 204 CA GLU A 16 10.810 -0.142 14.425 1.00 0.00 C ATOM 205 C GLU A 16 11.514 -1.239 13.622 1.00 0.00 C ATOM 206 O GLU A 16 11.416 -2.418 13.957 1.00 0.00 O ATOM 207 CB GLU A 16 11.205 -0.204 15.901 1.00 0.00 C ATOM 208 CG GLU A 16 11.716 1.153 16.390 1.00 0.00 C ATOM 209 CD GLU A 16 12.710 0.983 17.540 1.00 0.00 C ATOM 210 OE1 GLU A 16 12.233 0.782 18.678 1.00 0.00 O ATOM 211 OE2 GLU A 16 13.925 1.057 17.256 1.00 0.00 O ATOM 0 H GLU A 16 8.944 -1.042 14.745 1.00 0.00 H new ATOM 0 HA GLU A 16 11.129 0.826 14.039 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.346 -0.510 16.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.977 -0.960 16.043 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.194 1.684 15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.876 1.765 16.718 1.00 0.00 H new ATOM 218 N LYS A 17 12.208 -0.810 12.579 1.00 0.00 N ATOM 219 CA LYS A 17 12.929 -1.741 11.726 1.00 0.00 C ATOM 220 C LYS A 17 13.626 -2.788 12.597 1.00 0.00 C ATOM 221 O LYS A 17 13.955 -2.521 13.751 1.00 0.00 O ATOM 222 CB LYS A 17 13.878 -0.987 10.792 1.00 0.00 C ATOM 223 CG LYS A 17 13.122 -0.406 9.595 1.00 0.00 C ATOM 224 CD LYS A 17 14.090 0.197 8.576 1.00 0.00 C ATOM 225 CE LYS A 17 13.549 0.051 7.152 1.00 0.00 C ATOM 226 NZ LYS A 17 14.475 0.673 6.179 1.00 0.00 N ATOM 0 H LYS A 17 12.287 0.169 12.305 1.00 0.00 H new ATOM 0 HA LYS A 17 12.237 -2.276 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.371 -0.184 11.340 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.660 -1.661 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.529 -1.188 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.425 0.359 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.251 1.251 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.059 -0.297 8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.417 -1.004 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.568 0.520 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.076 0.595 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.607 1.676 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.393 0.185 6.213 1.00 0.00 H new ATOM 240 N ASP A 18 13.831 -3.958 12.009 1.00 0.00 N ATOM 241 CA ASP A 18 14.483 -5.047 12.717 1.00 0.00 C ATOM 242 C ASP A 18 15.711 -5.500 11.925 1.00 0.00 C ATOM 243 O ASP A 18 15.970 -4.997 10.833 1.00 0.00 O ATOM 244 CB ASP A 18 13.546 -6.247 12.865 1.00 0.00 C ATOM 245 CG ASP A 18 12.106 -5.899 13.248 1.00 0.00 C ATOM 246 OD1 ASP A 18 11.863 -4.703 13.516 1.00 0.00 O ATOM 247 OD2 ASP A 18 11.281 -6.838 13.264 1.00 0.00 O ATOM 0 H ASP A 18 13.557 -4.175 11.051 1.00 0.00 H new ATOM 0 HA ASP A 18 14.765 -4.686 13.706 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.533 -6.797 11.924 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.955 -6.918 13.621 1.00 0.00 H new ATOM 252 N GLU A 19 16.434 -6.446 12.506 1.00 0.00 N ATOM 253 CA GLU A 19 17.628 -6.974 11.868 1.00 0.00 C ATOM 254 C GLU A 19 17.371 -7.219 10.380 1.00 0.00 C ATOM 255 O GLU A 19 18.289 -7.138 9.566 1.00 0.00 O ATOM 256 CB GLU A 19 18.100 -8.253 12.561 1.00 0.00 C ATOM 257 CG GLU A 19 16.970 -9.281 12.645 1.00 0.00 C ATOM 258 CD GLU A 19 17.376 -10.598 11.980 1.00 0.00 C ATOM 259 OE1 GLU A 19 18.417 -11.148 12.400 1.00 0.00 O ATOM 260 OE2 GLU A 19 16.636 -11.025 11.068 1.00 0.00 O ATOM 0 H GLU A 19 16.216 -6.861 13.412 1.00 0.00 H new ATOM 0 HA GLU A 19 18.423 -6.235 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.942 -8.677 12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.457 -8.017 13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.714 -9.461 13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.077 -8.885 12.161 1.00 0.00 H new ATOM 267 N ASP A 20 16.117 -7.515 10.070 1.00 0.00 N ATOM 268 CA ASP A 20 15.727 -7.773 8.694 1.00 0.00 C ATOM 269 C ASP A 20 14.723 -6.710 8.246 1.00 0.00 C ATOM 270 O ASP A 20 13.686 -7.035 7.669 1.00 0.00 O ATOM 271 CB ASP A 20 15.059 -9.143 8.559 1.00 0.00 C ATOM 272 CG ASP A 20 15.095 -9.743 7.152 1.00 0.00 C ATOM 273 OD1 ASP A 20 14.688 -9.022 6.216 1.00 0.00 O ATOM 274 OD2 ASP A 20 15.530 -10.910 7.044 1.00 0.00 O ATOM 0 H ASP A 20 15.358 -7.582 10.748 1.00 0.00 H new ATOM 0 HA ASP A 20 16.626 -7.748 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.544 -9.836 9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.019 -9.056 8.875 1.00 0.00 H new ATOM 279 N GLY A 21 15.065 -5.462 8.527 1.00 0.00 N ATOM 280 CA GLY A 21 14.206 -4.349 8.160 1.00 0.00 C ATOM 281 C GLY A 21 12.850 -4.448 8.862 1.00 0.00 C ATOM 282 O GLY A 21 12.762 -4.951 9.981 1.00 0.00 O ATOM 0 H GLY A 21 15.926 -5.196 9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 21 14.689 -3.409 8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.060 -4.338 7.080 1.00 0.00 H new ATOM 286 N LEU A 22 11.827 -3.959 8.177 1.00 0.00 N ATOM 287 CA LEU A 22 10.480 -3.985 8.721 1.00 0.00 C ATOM 288 C LEU A 22 10.007 -5.436 8.829 1.00 0.00 C ATOM 289 O LEU A 22 9.653 -5.899 9.912 1.00 0.00 O ATOM 290 CB LEU A 22 9.550 -3.095 7.894 1.00 0.00 C ATOM 291 CG LEU A 22 10.079 -1.698 7.562 1.00 0.00 C ATOM 292 CD1 LEU A 22 9.397 -1.137 6.313 1.00 0.00 C ATOM 293 CD2 LEU A 22 9.939 -0.760 8.763 1.00 0.00 C ATOM 0 H LEU A 22 11.904 -3.542 7.249 1.00 0.00 H new ATOM 0 HA LEU A 22 10.468 -3.569 9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.325 -3.608 6.959 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.609 -2.987 8.433 1.00 0.00 H new ATOM 0 HG LEU A 22 11.143 -1.778 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.791 -0.143 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.591 -1.795 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.322 -1.072 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.322 0.226 8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.888 -0.679 9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.507 -1.158 9.604 1.00 0.00 H new ATOM 305 N GLY A 23 10.017 -6.115 7.691 1.00 0.00 N ATOM 306 CA GLY A 23 9.594 -7.504 7.644 1.00 0.00 C ATOM 307 C GLY A 23 8.136 -7.618 7.194 1.00 0.00 C ATOM 308 O GLY A 23 7.344 -8.324 7.815 1.00 0.00 O ATOM 0 H GLY A 23 10.312 -5.729 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.234 -8.060 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.711 -7.957 8.628 1.00 0.00 H new ATOM 312 N ILE A 24 7.826 -6.911 6.116 1.00 0.00 N ATOM 313 CA ILE A 24 6.477 -6.924 5.576 1.00 0.00 C ATOM 314 C ILE A 24 6.545 -7.003 4.049 1.00 0.00 C ATOM 315 O ILE A 24 7.539 -6.600 3.447 1.00 0.00 O ATOM 316 CB ILE A 24 5.681 -5.725 6.094 1.00 0.00 C ATOM 317 CG1 ILE A 24 6.553 -4.469 6.149 1.00 0.00 C ATOM 318 CG2 ILE A 24 5.040 -6.038 7.448 1.00 0.00 C ATOM 319 CD1 ILE A 24 5.694 -3.211 6.293 1.00 0.00 C ATOM 0 H ILE A 24 8.486 -6.326 5.603 1.00 0.00 H new ATOM 0 HA ILE A 24 5.938 -7.807 5.918 1.00 0.00 H new ATOM 0 HB ILE A 24 4.872 -5.523 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.245 -4.539 6.988 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.156 -4.400 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.480 -5.170 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.365 -6.887 7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.818 -6.280 8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.338 -2.333 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.020 -3.131 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.111 -3.272 7.212 1.00 0.00 H new ATOM 331 N SER A 25 5.476 -7.525 3.467 1.00 0.00 N ATOM 332 CA SER A 25 5.401 -7.662 2.023 1.00 0.00 C ATOM 333 C SER A 25 4.323 -6.732 1.464 1.00 0.00 C ATOM 334 O SER A 25 3.313 -6.482 2.119 1.00 0.00 O ATOM 335 CB SER A 25 5.114 -9.110 1.621 1.00 0.00 C ATOM 336 OG SER A 25 6.017 -10.024 2.236 1.00 0.00 O ATOM 0 H SER A 25 4.654 -7.859 3.970 1.00 0.00 H new ATOM 0 HA SER A 25 6.367 -7.382 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.092 -9.368 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.183 -9.206 0.537 1.00 0.00 H new ATOM 0 HG SER A 25 5.800 -10.937 1.955 1.00 0.00 H new ATOM 342 N ILE A 26 4.574 -6.245 0.257 1.00 0.00 N ATOM 343 CA ILE A 26 3.637 -5.347 -0.397 1.00 0.00 C ATOM 344 C ILE A 26 3.197 -5.960 -1.728 1.00 0.00 C ATOM 345 O ILE A 26 3.735 -6.980 -2.155 1.00 0.00 O ATOM 346 CB ILE A 26 4.242 -3.948 -0.534 1.00 0.00 C ATOM 347 CG1 ILE A 26 5.500 -3.977 -1.403 1.00 0.00 C ATOM 348 CG2 ILE A 26 4.507 -3.329 0.840 1.00 0.00 C ATOM 349 CD1 ILE A 26 5.542 -2.775 -2.348 1.00 0.00 C ATOM 0 H ILE A 26 5.412 -6.455 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 26 2.740 -5.223 0.210 1.00 0.00 H new ATOM 0 HB ILE A 26 3.517 -3.310 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.385 -3.975 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.525 -4.900 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.937 -2.335 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.570 -3.252 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.203 -3.958 1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.447 -2.820 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.668 -2.793 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.542 -1.854 -1.765 1.00 0.00 H new ATOM 361 N ILE A 27 2.222 -5.311 -2.348 1.00 0.00 N ATOM 362 CA ILE A 27 1.703 -5.779 -3.622 1.00 0.00 C ATOM 363 C ILE A 27 1.199 -4.583 -4.433 1.00 0.00 C ATOM 364 O ILE A 27 0.633 -3.645 -3.875 1.00 0.00 O ATOM 365 CB ILE A 27 0.645 -6.863 -3.404 1.00 0.00 C ATOM 366 CG1 ILE A 27 -0.353 -6.896 -4.563 1.00 0.00 C ATOM 367 CG2 ILE A 27 -0.052 -6.685 -2.053 1.00 0.00 C ATOM 368 CD1 ILE A 27 -0.949 -8.295 -4.733 1.00 0.00 C ATOM 0 H ILE A 27 1.778 -4.465 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 27 2.494 -6.250 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 27 1.147 -7.830 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.151 -6.176 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.144 -6.594 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.799 -7.468 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.685 -6.750 -1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.539 -5.710 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.655 -8.291 -5.563 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.151 -9.008 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.466 -8.584 -3.818 1.00 0.00 H new ATOM 380 N GLY A 28 1.425 -4.656 -5.736 1.00 0.00 N ATOM 381 CA GLY A 28 1.001 -3.591 -6.630 1.00 0.00 C ATOM 382 C GLY A 28 -0.368 -3.899 -7.239 1.00 0.00 C ATOM 383 O GLY A 28 -0.499 -4.814 -8.050 1.00 0.00 O ATOM 0 H GLY A 28 1.896 -5.436 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.956 -2.649 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.736 -3.464 -7.425 1.00 0.00 H new ATOM 387 N MET A 29 -1.353 -3.116 -6.825 1.00 0.00 N ATOM 388 CA MET A 29 -2.708 -3.293 -7.320 1.00 0.00 C ATOM 389 C MET A 29 -3.322 -1.953 -7.729 1.00 0.00 C ATOM 390 O MET A 29 -2.859 -0.897 -7.300 1.00 0.00 O ATOM 391 CB MET A 29 -3.569 -3.939 -6.233 1.00 0.00 C ATOM 392 CG MET A 29 -2.951 -5.254 -5.753 1.00 0.00 C ATOM 393 SD MET A 29 -3.785 -6.635 -6.519 1.00 0.00 S ATOM 394 CE MET A 29 -4.609 -7.327 -5.095 1.00 0.00 C ATOM 0 H MET A 29 -1.240 -2.357 -6.152 1.00 0.00 H new ATOM 0 HA MET A 29 -2.672 -3.938 -8.198 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.673 -3.254 -5.392 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.571 -4.124 -6.620 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.889 -5.278 -5.999 1.00 0.00 H new ATOM 0 HG3 MET A 29 -3.029 -5.328 -4.668 1.00 0.00 H new ATOM 0 HE1 MET A 29 -5.181 -8.205 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.867 -7.615 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.283 -6.584 -4.668 1.00 0.00 H new ATOM 404 N GLY A 30 -4.355 -2.039 -8.554 1.00 0.00 N ATOM 405 CA GLY A 30 -5.038 -0.846 -9.026 1.00 0.00 C ATOM 406 C GLY A 30 -6.408 -0.700 -8.362 1.00 0.00 C ATOM 407 O GLY A 30 -7.305 -1.509 -8.595 1.00 0.00 O ATOM 0 H GLY A 30 -4.736 -2.917 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.431 0.034 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.158 -0.895 -10.108 1.00 0.00 H new ATOM 411 N VAL A 31 -6.528 0.339 -7.548 1.00 0.00 N ATOM 412 CA VAL A 31 -7.775 0.602 -6.849 1.00 0.00 C ATOM 413 C VAL A 31 -8.589 1.630 -7.636 1.00 0.00 C ATOM 414 O VAL A 31 -8.035 2.594 -8.163 1.00 0.00 O ATOM 415 CB VAL A 31 -7.486 1.041 -5.412 1.00 0.00 C ATOM 416 CG1 VAL A 31 -8.629 0.642 -4.476 1.00 0.00 C ATOM 417 CG2 VAL A 31 -6.152 0.473 -4.922 1.00 0.00 C ATOM 0 H VAL A 31 -5.782 1.008 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.375 -0.306 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.410 2.128 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.398 0.966 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.553 1.117 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.751 -0.441 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.971 0.800 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.186 -0.616 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.347 0.829 -5.564 1.00 0.00 H new ATOM 492 N GLU A 38 -6.382 6.069 -12.380 1.00 0.00 N ATOM 493 CA GLU A 38 -6.308 4.988 -11.412 1.00 0.00 C ATOM 494 C GLU A 38 -5.302 5.329 -10.311 1.00 0.00 C ATOM 495 O GLU A 38 -4.400 6.139 -10.519 1.00 0.00 O ATOM 496 CB GLU A 38 -5.949 3.666 -12.093 1.00 0.00 C ATOM 497 CG GLU A 38 -4.545 3.725 -12.699 1.00 0.00 C ATOM 498 CD GLU A 38 -4.240 2.458 -13.501 1.00 0.00 C ATOM 499 OE1 GLU A 38 -4.719 1.386 -13.071 1.00 0.00 O ATOM 500 OE2 GLU A 38 -3.535 2.590 -14.524 1.00 0.00 O ATOM 0 HA GLU A 38 -7.290 4.868 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.002 2.853 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.677 3.445 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.461 4.598 -13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.807 3.844 -11.905 1.00 0.00 H new ATOM 507 N LYS A 39 -5.490 4.692 -9.164 1.00 0.00 N ATOM 508 CA LYS A 39 -4.610 4.918 -8.030 1.00 0.00 C ATOM 509 C LYS A 39 -4.090 3.573 -7.518 1.00 0.00 C ATOM 510 O LYS A 39 -4.769 2.893 -6.750 1.00 0.00 O ATOM 511 CB LYS A 39 -5.317 5.752 -6.961 1.00 0.00 C ATOM 512 CG LYS A 39 -5.297 7.239 -7.322 1.00 0.00 C ATOM 513 CD LYS A 39 -4.613 8.060 -6.227 1.00 0.00 C ATOM 514 CE LYS A 39 -5.351 9.379 -5.989 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.396 10.509 -5.962 1.00 0.00 N ATOM 0 H LYS A 39 -6.239 4.020 -8.996 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.741 5.502 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.348 5.414 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.831 5.602 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.774 7.380 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.317 7.596 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.582 7.484 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.580 8.263 -6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.089 9.537 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.896 9.333 -5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.913 11.397 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.708 10.364 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.895 10.562 -6.872 1.00 0.00 H new ATOM 529 N LEU A 40 -2.890 3.230 -7.963 1.00 0.00 N ATOM 530 CA LEU A 40 -2.272 1.979 -7.560 1.00 0.00 C ATOM 531 C LEU A 40 -2.222 1.909 -6.032 1.00 0.00 C ATOM 532 O LEU A 40 -1.518 2.690 -5.394 1.00 0.00 O ATOM 533 CB LEU A 40 -0.905 1.817 -8.227 1.00 0.00 C ATOM 534 CG LEU A 40 -0.539 0.399 -8.671 1.00 0.00 C ATOM 535 CD1 LEU A 40 -1.367 -0.026 -9.886 1.00 0.00 C ATOM 536 CD2 LEU A 40 0.964 0.276 -8.931 1.00 0.00 C ATOM 0 H LEU A 40 -2.329 3.797 -8.599 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.869 1.133 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.869 2.470 -9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.141 2.168 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.782 -0.286 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.087 -1.037 -10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.426 -0.002 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.178 0.659 -10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.197 -0.741 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.256 0.974 -9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.511 0.508 -8.017 1.00 0.00 H new ATOM 548 N GLY A 41 -2.979 0.967 -5.489 1.00 0.00 N ATOM 549 CA GLY A 41 -3.030 0.785 -4.049 1.00 0.00 C ATOM 550 C GLY A 41 -1.992 -0.240 -3.588 1.00 0.00 C ATOM 551 O GLY A 41 -2.058 -1.409 -3.967 1.00 0.00 O ATOM 0 H GLY A 41 -3.562 0.321 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.850 1.738 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.027 0.455 -3.756 1.00 0.00 H new ATOM 555 N ILE A 42 -1.057 0.235 -2.778 1.00 0.00 N ATOM 556 CA ILE A 42 -0.006 -0.626 -2.262 1.00 0.00 C ATOM 557 C ILE A 42 -0.529 -1.385 -1.041 1.00 0.00 C ATOM 558 O ILE A 42 -0.528 -0.858 0.070 1.00 0.00 O ATOM 559 CB ILE A 42 1.262 0.184 -1.986 1.00 0.00 C ATOM 560 CG1 ILE A 42 1.656 1.019 -3.206 1.00 0.00 C ATOM 561 CG2 ILE A 42 2.402 -0.724 -1.521 1.00 0.00 C ATOM 562 CD1 ILE A 42 2.133 0.125 -4.352 1.00 0.00 C ATOM 0 H ILE A 42 -1.005 1.205 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 42 0.275 -1.372 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 42 1.052 0.880 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.804 1.614 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.446 1.718 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.292 -0.123 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.108 -1.236 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.619 -1.460 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.407 0.744 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.000 -0.450 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.332 -0.556 -4.639 1.00 0.00 H new ATOM 574 N PHE A 43 -0.963 -2.612 -1.289 1.00 0.00 N ATOM 575 CA PHE A 43 -1.487 -3.450 -0.223 1.00 0.00 C ATOM 576 C PHE A 43 -0.403 -4.378 0.329 1.00 0.00 C ATOM 577 O PHE A 43 0.637 -4.565 -0.300 1.00 0.00 O ATOM 578 CB PHE A 43 -2.607 -4.297 -0.831 1.00 0.00 C ATOM 579 CG PHE A 43 -3.762 -3.479 -1.410 1.00 0.00 C ATOM 580 CD1 PHE A 43 -4.814 -3.132 -0.620 1.00 0.00 C ATOM 581 CD2 PHE A 43 -3.738 -3.098 -2.716 1.00 0.00 C ATOM 582 CE1 PHE A 43 -5.886 -2.373 -1.158 1.00 0.00 C ATOM 583 CE2 PHE A 43 -4.811 -2.339 -3.253 1.00 0.00 C ATOM 584 CZ PHE A 43 -5.862 -1.992 -2.463 1.00 0.00 C ATOM 0 H PHE A 43 -0.963 -3.046 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.846 -2.828 0.597 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.188 -4.923 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.998 -4.967 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.833 -3.434 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.903 -3.373 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.721 -2.098 -0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.792 -2.037 -4.290 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.677 -1.414 -2.872 1.00 0.00 H new ATOM 594 N VAL A 44 -0.684 -4.934 1.498 1.00 0.00 N ATOM 595 CA VAL A 44 0.254 -5.838 2.141 1.00 0.00 C ATOM 596 C VAL A 44 -0.045 -7.273 1.703 1.00 0.00 C ATOM 597 O VAL A 44 -1.106 -7.813 2.013 1.00 0.00 O ATOM 598 CB VAL A 44 0.201 -5.654 3.659 1.00 0.00 C ATOM 599 CG1 VAL A 44 0.783 -6.871 4.380 1.00 0.00 C ATOM 600 CG2 VAL A 44 0.921 -4.371 4.081 1.00 0.00 C ATOM 0 H VAL A 44 -1.548 -4.776 2.017 1.00 0.00 H new ATOM 0 HA VAL A 44 1.275 -5.610 1.834 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.846 -5.562 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.733 -6.714 5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.209 -7.759 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.822 -7.008 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.869 -4.264 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.965 -4.421 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.443 -3.513 3.608 1.00 0.00 H new ATOM 610 N LYS A 45 0.910 -7.851 0.988 1.00 0.00 N ATOM 611 CA LYS A 45 0.762 -9.213 0.504 1.00 0.00 C ATOM 612 C LYS A 45 0.720 -10.171 1.696 1.00 0.00 C ATOM 613 O LYS A 45 -0.094 -11.094 1.727 1.00 0.00 O ATOM 614 CB LYS A 45 1.858 -9.542 -0.512 1.00 0.00 C ATOM 615 CG LYS A 45 1.850 -11.031 -0.863 1.00 0.00 C ATOM 616 CD LYS A 45 0.707 -11.362 -1.825 1.00 0.00 C ATOM 617 CE LYS A 45 1.045 -12.586 -2.678 1.00 0.00 C ATOM 618 NZ LYS A 45 -0.181 -13.147 -3.288 1.00 0.00 N ATOM 0 H LYS A 45 1.789 -7.401 0.733 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.181 -9.328 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.711 -8.951 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.831 -9.266 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.802 -11.307 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.747 -11.622 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.206 -11.549 -1.260 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.512 -10.506 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.753 -12.308 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.531 -13.343 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.066 -13.977 -3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.843 -13.431 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.629 -12.428 -3.892 1.00 0.00 H new ATOM 632 N THR A 46 1.606 -9.920 2.648 1.00 0.00 N ATOM 633 CA THR A 46 1.681 -10.750 3.839 1.00 0.00 C ATOM 634 C THR A 46 2.613 -10.116 4.873 1.00 0.00 C ATOM 635 O THR A 46 3.185 -9.054 4.630 1.00 0.00 O ATOM 636 CB THR A 46 2.113 -12.154 3.411 1.00 0.00 C ATOM 637 OG1 THR A 46 2.209 -12.876 4.636 1.00 0.00 O ATOM 638 CG2 THR A 46 3.535 -12.183 2.849 1.00 0.00 C ATOM 0 H THR A 46 2.278 -9.154 2.619 1.00 0.00 H new ATOM 0 HA THR A 46 0.710 -10.828 4.328 1.00 0.00 H new ATOM 0 HB THR A 46 1.419 -12.535 2.662 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.483 -13.799 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.792 -13.202 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.595 -11.533 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.234 -11.834 3.609 1.00 0.00 H new ATOM 646 N VAL A 47 2.738 -10.793 6.004 1.00 0.00 N ATOM 647 CA VAL A 47 3.591 -10.310 7.076 1.00 0.00 C ATOM 648 C VAL A 47 4.508 -11.442 7.543 1.00 0.00 C ATOM 649 O VAL A 47 4.043 -12.547 7.822 1.00 0.00 O ATOM 650 CB VAL A 47 2.736 -9.729 8.205 1.00 0.00 C ATOM 651 CG1 VAL A 47 3.613 -9.197 9.339 1.00 0.00 C ATOM 652 CG2 VAL A 47 1.800 -8.640 7.678 1.00 0.00 C ATOM 0 H VAL A 47 2.262 -11.673 6.202 1.00 0.00 H new ATOM 0 HA VAL A 47 4.229 -9.501 6.720 1.00 0.00 H new ATOM 0 HB VAL A 47 2.121 -10.534 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.980 -8.790 10.128 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.219 -10.009 9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.266 -8.413 8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.204 -8.244 8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.389 -7.836 7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.139 -9.063 6.921 1.00 0.00 H new ATOM 662 N THR A 48 5.793 -11.129 7.615 1.00 0.00 N ATOM 663 CA THR A 48 6.779 -12.107 8.043 1.00 0.00 C ATOM 664 C THR A 48 6.438 -12.631 9.439 1.00 0.00 C ATOM 665 O THR A 48 6.069 -11.860 10.323 1.00 0.00 O ATOM 666 CB THR A 48 8.160 -11.453 7.960 1.00 0.00 C ATOM 667 OG1 THR A 48 8.515 -11.565 6.585 1.00 0.00 O ATOM 668 CG2 THR A 48 9.235 -12.261 8.690 1.00 0.00 C ATOM 0 H THR A 48 6.175 -10.212 7.384 1.00 0.00 H new ATOM 0 HA THR A 48 6.778 -12.981 7.392 1.00 0.00 H new ATOM 0 HB THR A 48 8.112 -10.449 8.381 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.398 -11.164 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.195 -11.753 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.969 -12.352 9.743 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.307 -13.254 8.247 1.00 0.00 H new ATOM 676 N GLU A 49 6.574 -13.940 9.594 1.00 0.00 N ATOM 677 CA GLU A 49 6.285 -14.577 10.868 1.00 0.00 C ATOM 678 C GLU A 49 7.399 -14.282 11.874 1.00 0.00 C ATOM 679 O GLU A 49 8.497 -14.827 11.766 1.00 0.00 O ATOM 680 CB GLU A 49 6.087 -16.084 10.695 1.00 0.00 C ATOM 681 CG GLU A 49 5.268 -16.666 11.849 1.00 0.00 C ATOM 682 CD GLU A 49 5.338 -18.194 11.855 1.00 0.00 C ATOM 683 OE1 GLU A 49 6.346 -18.714 12.381 1.00 0.00 O ATOM 684 OE2 GLU A 49 4.382 -18.808 11.334 1.00 0.00 O ATOM 0 H GLU A 49 6.880 -14.577 8.859 1.00 0.00 H new ATOM 0 HA GLU A 49 5.354 -14.164 11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.581 -16.282 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.057 -16.579 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.641 -16.278 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.230 -16.346 11.760 1.00 0.00 H new ATOM 691 N GLY A 50 7.079 -13.422 12.829 1.00 0.00 N ATOM 692 CA GLY A 50 8.039 -13.048 13.853 1.00 0.00 C ATOM 693 C GLY A 50 8.835 -11.811 13.433 1.00 0.00 C ATOM 694 O GLY A 50 9.987 -11.645 13.831 1.00 0.00 O ATOM 0 H GLY A 50 6.167 -12.973 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.518 -12.849 14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.721 -13.878 14.038 1.00 0.00 H new ATOM 698 N GLY A 51 8.189 -10.974 12.635 1.00 0.00 N ATOM 699 CA GLY A 51 8.821 -9.756 12.157 1.00 0.00 C ATOM 700 C GLY A 51 8.514 -8.578 13.084 1.00 0.00 C ATOM 701 O GLY A 51 8.235 -8.770 14.266 1.00 0.00 O ATOM 0 H GLY A 51 7.234 -11.115 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.899 -9.902 12.094 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.470 -9.531 11.150 1.00 0.00 H new ATOM 705 N ALA A 52 8.576 -7.385 12.512 1.00 0.00 N ATOM 706 CA ALA A 52 8.308 -6.176 13.272 1.00 0.00 C ATOM 707 C ALA A 52 6.820 -5.835 13.171 1.00 0.00 C ATOM 708 O ALA A 52 6.188 -5.495 14.171 1.00 0.00 O ATOM 709 CB ALA A 52 9.201 -5.043 12.762 1.00 0.00 C ATOM 0 H ALA A 52 8.808 -7.230 11.531 1.00 0.00 H new ATOM 0 HA ALA A 52 8.542 -6.326 14.326 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.000 -4.136 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.248 -5.322 12.882 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.993 -4.862 11.707 1.00 0.00 H new ATOM 715 N ALA A 53 6.303 -5.937 11.955 1.00 0.00 N ATOM 716 CA ALA A 53 4.901 -5.643 11.711 1.00 0.00 C ATOM 717 C ALA A 53 4.039 -6.750 12.322 1.00 0.00 C ATOM 718 O ALA A 53 2.968 -6.479 12.864 1.00 0.00 O ATOM 719 CB ALA A 53 4.667 -5.485 10.207 1.00 0.00 C ATOM 0 H ALA A 53 6.830 -6.219 11.128 1.00 0.00 H new ATOM 0 HA ALA A 53 4.617 -4.704 12.186 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.615 -5.264 10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.281 -4.668 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.938 -6.410 9.697 1.00 0.00 H new ATOM 725 N GLN A 54 4.538 -7.972 12.215 1.00 0.00 N ATOM 726 CA GLN A 54 3.827 -9.121 12.750 1.00 0.00 C ATOM 727 C GLN A 54 3.734 -9.025 14.274 1.00 0.00 C ATOM 728 O GLN A 54 2.642 -8.903 14.827 1.00 0.00 O ATOM 729 CB GLN A 54 4.496 -10.428 12.323 1.00 0.00 C ATOM 730 CG GLN A 54 3.456 -11.456 11.872 1.00 0.00 C ATOM 731 CD GLN A 54 3.412 -12.648 12.830 1.00 0.00 C ATOM 732 OE1 GLN A 54 3.488 -13.799 12.433 1.00 0.00 O ATOM 733 NE2 GLN A 54 3.284 -12.309 14.110 1.00 0.00 N ATOM 0 H GLN A 54 5.427 -8.192 11.765 1.00 0.00 H new ATOM 0 HA GLN A 54 2.816 -9.119 12.343 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.196 -10.234 11.511 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.075 -10.832 13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.473 -10.987 11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.694 -11.802 10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.226 -11.325 14.374 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.244 -13.033 14.828 1.00 0.00 H new ATOM 742 N ARG A 55 4.895 -9.083 14.910 1.00 0.00 N ATOM 743 CA ARG A 55 4.959 -9.004 16.360 1.00 0.00 C ATOM 744 C ARG A 55 4.062 -7.875 16.870 1.00 0.00 C ATOM 745 O ARG A 55 3.312 -8.057 17.828 1.00 0.00 O ATOM 746 CB ARG A 55 6.393 -8.762 16.836 1.00 0.00 C ATOM 747 CG ARG A 55 7.200 -10.062 16.827 1.00 0.00 C ATOM 748 CD ARG A 55 8.552 -9.872 17.518 1.00 0.00 C ATOM 749 NE ARG A 55 9.474 -9.130 16.629 1.00 0.00 N ATOM 750 CZ ARG A 55 10.537 -8.436 17.059 1.00 0.00 C ATOM 751 NH1 ARG A 55 10.818 -8.385 18.369 1.00 0.00 N ATOM 752 NH2 ARG A 55 11.318 -7.794 16.181 1.00 0.00 N ATOM 0 H ARG A 55 5.799 -9.184 14.448 1.00 0.00 H new ATOM 0 HA ARG A 55 4.612 -9.957 16.760 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.875 -8.026 16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.380 -8.345 17.843 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.637 -10.847 17.331 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.356 -10.391 15.799 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.419 -9.328 18.453 1.00 0.00 H new ATOM 0 HD3 ARG A 55 8.980 -10.842 17.772 1.00 0.00 H new ATOM 0 HE ARG A 55 9.289 -9.148 15.626 1.00 0.00 H new ATOM 0 HH11 ARG A 55 10.223 -8.874 19.038 1.00 0.00 H new ATOM 0 HH12 ARG A 55 11.627 -7.857 18.697 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.104 -7.833 15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.127 -7.266 16.509 1.00 0.00 H new ATOM 766 N ASP A 56 4.169 -6.732 16.207 1.00 0.00 N ATOM 767 CA ASP A 56 3.377 -5.573 16.582 1.00 0.00 C ATOM 768 C ASP A 56 1.911 -5.987 16.725 1.00 0.00 C ATOM 769 O ASP A 56 1.307 -5.793 17.779 1.00 0.00 O ATOM 770 CB ASP A 56 3.457 -4.482 15.512 1.00 0.00 C ATOM 771 CG ASP A 56 3.178 -3.064 16.013 1.00 0.00 C ATOM 772 OD1 ASP A 56 3.023 -2.917 17.245 1.00 0.00 O ATOM 773 OD2 ASP A 56 3.127 -2.158 15.154 1.00 0.00 O ATOM 0 H ASP A 56 4.792 -6.584 15.413 1.00 0.00 H new ATOM 0 HA ASP A 56 3.770 -5.186 17.522 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.451 -4.504 15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.746 -4.718 14.720 1.00 0.00 H new ATOM 778 N GLY A 57 1.380 -6.550 15.649 1.00 0.00 N ATOM 779 CA GLY A 57 -0.003 -6.993 15.642 1.00 0.00 C ATOM 780 C GLY A 57 -0.925 -5.904 15.089 1.00 0.00 C ATOM 781 O GLY A 57 -2.139 -6.090 15.020 1.00 0.00 O ATOM 0 H GLY A 57 1.883 -6.709 14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.097 -7.895 15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.310 -7.255 16.655 1.00 0.00 H new ATOM 785 N ARG A 58 -0.313 -4.792 14.709 1.00 0.00 N ATOM 786 CA ARG A 58 -1.063 -3.674 14.164 1.00 0.00 C ATOM 787 C ARG A 58 -1.317 -3.882 12.670 1.00 0.00 C ATOM 788 O ARG A 58 -2.454 -4.097 12.254 1.00 0.00 O ATOM 789 CB ARG A 58 -0.312 -2.356 14.368 1.00 0.00 C ATOM 790 CG ARG A 58 -1.033 -1.466 15.383 1.00 0.00 C ATOM 791 CD ARG A 58 -2.538 -1.430 15.109 1.00 0.00 C ATOM 792 NE ARG A 58 -2.793 -1.590 13.660 1.00 0.00 N ATOM 793 CZ ARG A 58 -3.960 -1.999 13.143 1.00 0.00 C ATOM 794 NH1 ARG A 58 -4.986 -2.292 13.953 1.00 0.00 N ATOM 795 NH2 ARG A 58 -4.100 -2.115 11.815 1.00 0.00 N ATOM 0 H ARG A 58 0.694 -4.642 14.768 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.014 -3.623 14.694 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.701 -2.560 14.713 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.225 -1.832 13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.852 -1.838 16.391 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.627 -0.455 15.339 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.036 -2.225 15.664 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.957 -0.486 15.458 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.033 -1.376 13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.879 -2.204 14.964 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.874 -2.603 13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.319 -1.892 11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.988 -2.426 11.421 1.00 0.00 H new ATOM 809 N ILE A 59 -0.238 -3.811 11.903 1.00 0.00 N ATOM 810 CA ILE A 59 -0.330 -3.990 10.464 1.00 0.00 C ATOM 811 C ILE A 59 -0.700 -5.442 10.157 1.00 0.00 C ATOM 812 O ILE A 59 -0.036 -6.367 10.623 1.00 0.00 O ATOM 813 CB ILE A 59 0.959 -3.526 9.784 1.00 0.00 C ATOM 814 CG1 ILE A 59 1.057 -1.999 9.776 1.00 0.00 C ATOM 815 CG2 ILE A 59 1.079 -4.115 8.377 1.00 0.00 C ATOM 816 CD1 ILE A 59 2.517 -1.542 9.780 1.00 0.00 C ATOM 0 H ILE A 59 0.704 -3.632 12.251 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.123 -3.366 10.052 1.00 0.00 H new ATOM 0 HB ILE A 59 1.804 -3.899 10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.551 -1.603 8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.543 -1.594 10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.004 -3.769 7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.088 -5.203 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.230 -3.792 7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.557 -0.453 9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.014 -1.919 10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.022 -1.928 8.895 1.00 0.00 H new ATOM 828 N GLN A 60 -1.757 -5.598 9.375 1.00 0.00 N ATOM 829 CA GLN A 60 -2.223 -6.922 9.000 1.00 0.00 C ATOM 830 C GLN A 60 -2.033 -7.146 7.498 1.00 0.00 C ATOM 831 O GLN A 60 -1.624 -6.237 6.778 1.00 0.00 O ATOM 832 CB GLN A 60 -3.685 -7.124 9.404 1.00 0.00 C ATOM 833 CG GLN A 60 -4.029 -6.301 10.647 1.00 0.00 C ATOM 834 CD GLN A 60 -3.406 -6.916 11.902 1.00 0.00 C ATOM 835 OE1 GLN A 60 -2.805 -7.977 11.871 1.00 0.00 O ATOM 836 NE2 GLN A 60 -3.582 -6.192 13.003 1.00 0.00 N ATOM 0 H GLN A 60 -2.305 -4.829 8.990 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.627 -7.661 9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.337 -6.835 8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.869 -8.180 9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.670 -5.279 10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.111 -6.247 10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.096 -5.312 12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.203 -6.516 13.893 1.00 0.00 H new ATOM 845 N VAL A 61 -2.339 -8.362 7.071 1.00 0.00 N ATOM 846 CA VAL A 61 -2.206 -8.718 5.668 1.00 0.00 C ATOM 847 C VAL A 61 -3.394 -8.149 4.889 1.00 0.00 C ATOM 848 O VAL A 61 -4.492 -8.024 5.428 1.00 0.00 O ATOM 849 CB VAL A 61 -2.067 -10.234 5.523 1.00 0.00 C ATOM 850 CG1 VAL A 61 -2.145 -10.654 4.054 1.00 0.00 C ATOM 851 CG2 VAL A 61 -0.771 -10.730 6.167 1.00 0.00 C ATOM 0 H VAL A 61 -2.679 -9.113 7.671 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.300 -8.281 5.247 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.901 -10.698 6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.043 -11.737 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.106 -10.350 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.341 -10.175 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.697 -11.811 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.081 -10.253 5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.773 -10.479 7.228 1.00 0.00 H new ATOM 861 N ASN A 62 -3.133 -7.820 3.632 1.00 0.00 N ATOM 862 CA ASN A 62 -4.166 -7.268 2.773 1.00 0.00 C ATOM 863 C ASN A 62 -4.377 -5.792 3.119 1.00 0.00 C ATOM 864 O ASN A 62 -5.205 -5.120 2.507 1.00 0.00 O ATOM 865 CB ASN A 62 -5.497 -7.995 2.975 1.00 0.00 C ATOM 866 CG ASN A 62 -5.290 -9.510 3.042 1.00 0.00 C ATOM 867 OD1 ASN A 62 -5.045 -10.174 2.049 1.00 0.00 O ATOM 868 ND2 ASN A 62 -5.401 -10.016 4.267 1.00 0.00 N ATOM 0 H ASN A 62 -2.221 -7.925 3.188 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.843 -7.387 1.739 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.969 -7.648 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.175 -7.753 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.279 -11.017 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.608 -9.403 5.055 1.00 0.00 H new ATOM 875 N ASP A 63 -3.613 -5.333 4.099 1.00 0.00 N ATOM 876 CA ASP A 63 -3.705 -3.949 4.533 1.00 0.00 C ATOM 877 C ASP A 63 -3.294 -3.029 3.382 1.00 0.00 C ATOM 878 O ASP A 63 -2.723 -3.484 2.393 1.00 0.00 O ATOM 879 CB ASP A 63 -2.768 -3.679 5.713 1.00 0.00 C ATOM 880 CG ASP A 63 -3.414 -3.807 7.094 1.00 0.00 C ATOM 881 OD1 ASP A 63 -4.594 -4.216 7.133 1.00 0.00 O ATOM 882 OD2 ASP A 63 -2.712 -3.493 8.079 1.00 0.00 O ATOM 0 H ASP A 63 -2.928 -5.894 4.605 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.734 -3.759 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.928 -4.371 5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.360 -2.673 5.611 1.00 0.00 H new ATOM 887 N GLN A 64 -3.600 -1.751 3.550 1.00 0.00 N ATOM 888 CA GLN A 64 -3.270 -0.763 2.538 1.00 0.00 C ATOM 889 C GLN A 64 -2.458 0.378 3.154 1.00 0.00 C ATOM 890 O GLN A 64 -2.913 1.033 4.091 1.00 0.00 O ATOM 891 CB GLN A 64 -4.533 -0.232 1.857 1.00 0.00 C ATOM 892 CG GLN A 64 -4.180 0.709 0.703 1.00 0.00 C ATOM 893 CD GLN A 64 -5.253 1.785 0.524 1.00 0.00 C ATOM 894 OE1 GLN A 64 -6.371 1.667 0.997 1.00 0.00 O ATOM 895 NE2 GLN A 64 -4.851 2.837 -0.183 1.00 0.00 N ATOM 0 H GLN A 64 -4.073 -1.377 4.373 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.660 -1.245 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.126 -1.066 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.149 0.295 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.216 1.180 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.077 0.137 -0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.900 2.871 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.494 3.610 -0.358 1.00 0.00 H new ATOM 904 N ILE A 65 -1.270 0.581 2.604 1.00 0.00 N ATOM 905 CA ILE A 65 -0.390 1.631 3.089 1.00 0.00 C ATOM 906 C ILE A 65 -0.712 2.937 2.359 1.00 0.00 C ATOM 907 O ILE A 65 -0.152 3.215 1.300 1.00 0.00 O ATOM 908 CB ILE A 65 1.074 1.203 2.967 1.00 0.00 C ATOM 909 CG1 ILE A 65 1.313 -0.138 3.663 1.00 0.00 C ATOM 910 CG2 ILE A 65 2.009 2.295 3.489 1.00 0.00 C ATOM 911 CD1 ILE A 65 2.266 -1.016 2.850 1.00 0.00 C ATOM 0 H ILE A 65 -0.896 0.036 1.827 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.558 1.809 4.151 1.00 0.00 H new ATOM 0 HB ILE A 65 1.302 1.062 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.728 0.033 4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.363 -0.655 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.043 1.966 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.862 3.207 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.789 2.492 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.419 -1.963 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.837 -1.205 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.223 -0.506 2.736 1.00 0.00 H new ATOM 923 N VAL A 66 -1.614 3.704 2.954 1.00 0.00 N ATOM 924 CA VAL A 66 -2.017 4.973 2.374 1.00 0.00 C ATOM 925 C VAL A 66 -0.851 5.960 2.457 1.00 0.00 C ATOM 926 O VAL A 66 -0.644 6.760 1.546 1.00 0.00 O ATOM 927 CB VAL A 66 -3.283 5.485 3.064 1.00 0.00 C ATOM 928 CG1 VAL A 66 -3.716 6.834 2.485 1.00 0.00 C ATOM 929 CG2 VAL A 66 -4.414 4.458 2.967 1.00 0.00 C ATOM 0 H VAL A 66 -2.077 3.470 3.832 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.264 4.849 1.320 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.053 5.632 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.618 7.175 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.920 7.564 2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.919 6.724 1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.302 4.847 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.641 4.265 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.105 3.530 3.448 1.00 0.00 H new ATOM 939 N GLU A 67 -0.120 5.872 3.558 1.00 0.00 N ATOM 940 CA GLU A 67 1.020 6.747 3.772 1.00 0.00 C ATOM 941 C GLU A 67 2.067 6.051 4.645 1.00 0.00 C ATOM 942 O GLU A 67 1.726 5.228 5.492 1.00 0.00 O ATOM 943 CB GLU A 67 0.583 8.075 4.394 1.00 0.00 C ATOM 944 CG GLU A 67 1.773 9.024 4.552 1.00 0.00 C ATOM 945 CD GLU A 67 1.370 10.465 4.234 1.00 0.00 C ATOM 946 OE1 GLU A 67 1.321 10.787 3.027 1.00 0.00 O ATOM 947 OE2 GLU A 67 1.121 11.213 5.204 1.00 0.00 O ATOM 0 H GLU A 67 -0.295 5.208 4.312 1.00 0.00 H new ATOM 0 HA GLU A 67 1.470 6.968 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.178 8.541 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.127 7.892 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.156 8.966 5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.581 8.714 3.889 1.00 0.00 H new ATOM 954 N VAL A 68 3.321 6.409 4.407 1.00 0.00 N ATOM 955 CA VAL A 68 4.420 5.829 5.161 1.00 0.00 C ATOM 956 C VAL A 68 5.371 6.942 5.605 1.00 0.00 C ATOM 957 O VAL A 68 6.073 7.529 4.783 1.00 0.00 O ATOM 958 CB VAL A 68 5.113 4.748 4.328 1.00 0.00 C ATOM 959 CG1 VAL A 68 6.619 5.005 4.240 1.00 0.00 C ATOM 960 CG2 VAL A 68 4.826 3.355 4.891 1.00 0.00 C ATOM 0 H VAL A 68 3.600 7.093 3.703 1.00 0.00 H new ATOM 0 HA VAL A 68 4.049 5.339 6.061 1.00 0.00 H new ATOM 0 HB VAL A 68 4.707 4.791 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.087 4.223 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.796 5.974 3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.048 5.002 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.330 2.605 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.192 3.294 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.752 3.171 4.878 1.00 0.00 H new ATOM 970 N ASP A 69 5.362 7.200 6.905 1.00 0.00 N ATOM 971 CA ASP A 69 6.215 8.233 7.469 1.00 0.00 C ATOM 972 C ASP A 69 5.821 9.590 6.882 1.00 0.00 C ATOM 973 O ASP A 69 6.546 10.571 7.037 1.00 0.00 O ATOM 974 CB ASP A 69 7.685 7.980 7.128 1.00 0.00 C ATOM 975 CG ASP A 69 8.541 7.477 8.293 1.00 0.00 C ATOM 976 OD1 ASP A 69 8.100 7.672 9.446 1.00 0.00 O ATOM 977 OD2 ASP A 69 9.616 6.910 8.003 1.00 0.00 O ATOM 0 H ASP A 69 4.778 6.712 7.584 1.00 0.00 H new ATOM 0 HA ASP A 69 6.088 8.221 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.735 7.251 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.120 8.906 6.750 1.00 0.00 H new ATOM 982 N GLY A 70 4.673 9.602 6.221 1.00 0.00 N ATOM 983 CA GLY A 70 4.174 10.823 5.611 1.00 0.00 C ATOM 984 C GLY A 70 4.180 10.715 4.085 1.00 0.00 C ATOM 985 O GLY A 70 3.588 11.546 3.398 1.00 0.00 O ATOM 0 H GLY A 70 4.074 8.786 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.161 11.021 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.790 11.667 5.922 1.00 0.00 H new ATOM 989 N ILE A 71 4.856 9.685 3.599 1.00 0.00 N ATOM 990 CA ILE A 71 4.948 9.458 2.167 1.00 0.00 C ATOM 991 C ILE A 71 3.734 8.649 1.704 1.00 0.00 C ATOM 992 O ILE A 71 3.440 7.591 2.259 1.00 0.00 O ATOM 993 CB ILE A 71 6.288 8.812 1.811 1.00 0.00 C ATOM 994 CG1 ILE A 71 7.448 9.776 2.070 1.00 0.00 C ATOM 995 CG2 ILE A 71 6.283 8.295 0.371 1.00 0.00 C ATOM 996 CD1 ILE A 71 8.785 9.142 1.683 1.00 0.00 C ATOM 0 H ILE A 71 5.346 8.998 4.172 1.00 0.00 H new ATOM 0 HA ILE A 71 4.925 10.406 1.630 1.00 0.00 H new ATOM 0 HB ILE A 71 6.434 7.950 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.298 10.693 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.465 10.055 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.247 7.841 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.495 7.551 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.103 9.125 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.592 9.848 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.943 8.239 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.773 8.887 0.623 1.00 0.00 H new ATOM 1008 N SER A 72 3.061 9.179 0.693 1.00 0.00 N ATOM 1009 CA SER A 72 1.885 8.520 0.150 1.00 0.00 C ATOM 1010 C SER A 72 2.303 7.298 -0.671 1.00 0.00 C ATOM 1011 O SER A 72 3.016 7.428 -1.665 1.00 0.00 O ATOM 1012 CB SER A 72 1.063 9.481 -0.710 1.00 0.00 C ATOM 1013 OG SER A 72 1.668 10.768 -0.799 1.00 0.00 O ATOM 0 H SER A 72 3.308 10.057 0.236 1.00 0.00 H new ATOM 0 HA SER A 72 1.260 8.195 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.948 9.064 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.062 9.579 -0.289 1.00 0.00 H new ATOM 0 HG SER A 72 1.114 11.352 -1.358 1.00 0.00 H new ATOM 1019 N LEU A 73 1.841 6.139 -0.226 1.00 0.00 N ATOM 1020 CA LEU A 73 2.157 4.895 -0.907 1.00 0.00 C ATOM 1021 C LEU A 73 0.947 4.446 -1.728 1.00 0.00 C ATOM 1022 O LEU A 73 0.856 3.285 -2.123 1.00 0.00 O ATOM 1023 CB LEU A 73 2.646 3.846 0.093 1.00 0.00 C ATOM 1024 CG LEU A 73 3.988 4.135 0.768 1.00 0.00 C ATOM 1025 CD1 LEU A 73 4.540 2.882 1.450 1.00 0.00 C ATOM 1026 CD2 LEU A 73 4.985 4.732 -0.228 1.00 0.00 C ATOM 0 H LEU A 73 1.250 6.035 0.599 1.00 0.00 H new ATOM 0 HA LEU A 73 2.980 5.042 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.889 3.732 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.720 2.889 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 73 3.825 4.880 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.494 3.115 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.835 2.539 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.685 2.097 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.931 4.928 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.149 4.029 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.586 5.665 -0.627 1.00 0.00 H new ATOM 1038 N VAL A 74 0.047 5.390 -1.961 1.00 0.00 N ATOM 1039 CA VAL A 74 -1.154 5.106 -2.728 1.00 0.00 C ATOM 1040 C VAL A 74 -1.101 5.870 -4.053 1.00 0.00 C ATOM 1041 O VAL A 74 -0.634 7.007 -4.099 1.00 0.00 O ATOM 1042 CB VAL A 74 -2.396 5.437 -1.897 1.00 0.00 C ATOM 1043 CG1 VAL A 74 -2.292 6.837 -1.288 1.00 0.00 C ATOM 1044 CG2 VAL A 74 -3.669 5.296 -2.734 1.00 0.00 C ATOM 0 H VAL A 74 0.125 6.352 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.212 4.044 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.452 4.720 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.187 7.047 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.416 6.888 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.199 7.575 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.537 5.537 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.624 5.979 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.754 4.272 -3.097 1.00 0.00 H new ATOM 1054 N GLY A 75 -1.585 5.214 -5.097 1.00 0.00 N ATOM 1055 CA GLY A 75 -1.599 5.816 -6.419 1.00 0.00 C ATOM 1056 C GLY A 75 -0.181 5.937 -6.980 1.00 0.00 C ATOM 1057 O GLY A 75 0.085 6.788 -7.828 1.00 0.00 O ATOM 0 H GLY A 75 -1.971 4.271 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.210 5.213 -7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.060 6.803 -6.369 1.00 0.00 H new ATOM 1061 N VAL A 76 0.693 5.073 -6.486 1.00 0.00 N ATOM 1062 CA VAL A 76 2.077 5.072 -6.927 1.00 0.00 C ATOM 1063 C VAL A 76 2.458 3.667 -7.397 1.00 0.00 C ATOM 1064 O VAL A 76 1.869 2.681 -6.956 1.00 0.00 O ATOM 1065 CB VAL A 76 2.984 5.595 -5.811 1.00 0.00 C ATOM 1066 CG1 VAL A 76 2.386 6.843 -5.158 1.00 0.00 C ATOM 1067 CG2 VAL A 76 3.252 4.507 -4.769 1.00 0.00 C ATOM 0 H VAL A 76 0.469 4.368 -5.784 1.00 0.00 H new ATOM 0 HA VAL A 76 2.207 5.745 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 76 3.938 5.875 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.050 7.194 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.268 7.625 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.413 6.600 -4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.899 4.904 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.308 4.183 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.740 3.658 -5.247 1.00 0.00 H new ATOM 1077 N THR A 77 3.439 3.620 -8.286 1.00 0.00 N ATOM 1078 CA THR A 77 3.904 2.351 -8.821 1.00 0.00 C ATOM 1079 C THR A 77 4.601 1.536 -7.730 1.00 0.00 C ATOM 1080 O THR A 77 5.336 2.087 -6.912 1.00 0.00 O ATOM 1081 CB THR A 77 4.801 2.646 -10.025 1.00 0.00 C ATOM 1082 OG1 THR A 77 5.176 1.357 -10.503 1.00 0.00 O ATOM 1083 CG2 THR A 77 6.128 3.294 -9.622 1.00 0.00 C ATOM 0 H THR A 77 3.925 4.440 -8.649 1.00 0.00 H new ATOM 0 HA THR A 77 3.071 1.736 -9.161 1.00 0.00 H new ATOM 0 HB THR A 77 4.273 3.300 -10.719 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.758 1.455 -11.285 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.726 3.482 -10.513 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.932 4.236 -9.111 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.672 2.625 -8.955 1.00 0.00 H new ATOM 1091 N GLN A 78 4.344 0.236 -7.752 1.00 0.00 N ATOM 1092 CA GLN A 78 4.937 -0.661 -6.775 1.00 0.00 C ATOM 1093 C GLN A 78 6.367 -0.223 -6.451 1.00 0.00 C ATOM 1094 O GLN A 78 6.757 -0.176 -5.285 1.00 0.00 O ATOM 1095 CB GLN A 78 4.905 -2.108 -7.269 1.00 0.00 C ATOM 1096 CG GLN A 78 5.259 -3.080 -6.141 1.00 0.00 C ATOM 1097 CD GLN A 78 6.588 -3.785 -6.421 1.00 0.00 C ATOM 1098 OE1 GLN A 78 7.564 -3.182 -6.835 1.00 0.00 O ATOM 1099 NE2 GLN A 78 6.570 -5.091 -6.173 1.00 0.00 N ATOM 0 H GLN A 78 3.733 -0.217 -8.431 1.00 0.00 H new ATOM 0 HA GLN A 78 4.347 -0.611 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.914 -2.342 -7.658 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.608 -2.230 -8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.322 -2.539 -5.197 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.466 -3.820 -6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.718 -5.533 -5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.408 -5.651 -6.328 1.00 0.00 H new ATOM 1108 N ASN A 79 7.109 0.088 -7.504 1.00 0.00 N ATOM 1109 CA ASN A 79 8.487 0.520 -7.346 1.00 0.00 C ATOM 1110 C ASN A 79 8.549 1.642 -6.307 1.00 0.00 C ATOM 1111 O ASN A 79 9.159 1.481 -5.251 1.00 0.00 O ATOM 1112 CB ASN A 79 9.048 1.063 -8.662 1.00 0.00 C ATOM 1113 CG ASN A 79 10.252 0.240 -9.125 1.00 0.00 C ATOM 1114 OD1 ASN A 79 10.129 -0.737 -9.845 1.00 0.00 O ATOM 1115 ND2 ASN A 79 11.420 0.689 -8.675 1.00 0.00 N ATOM 0 H ASN A 79 6.782 0.049 -8.469 1.00 0.00 H new ATOM 0 HA ASN A 79 9.076 -0.341 -7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.273 1.043 -9.428 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.342 2.105 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.283 0.209 -8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.453 1.513 -8.075 1.00 0.00 H new ATOM 1122 N PHE A 80 7.911 2.753 -6.644 1.00 0.00 N ATOM 1123 CA PHE A 80 7.886 3.901 -5.753 1.00 0.00 C ATOM 1124 C PHE A 80 7.750 3.460 -4.294 1.00 0.00 C ATOM 1125 O PHE A 80 8.552 3.849 -3.447 1.00 0.00 O ATOM 1126 CB PHE A 80 6.664 4.738 -6.137 1.00 0.00 C ATOM 1127 CG PHE A 80 6.385 5.904 -5.186 1.00 0.00 C ATOM 1128 CD1 PHE A 80 5.772 5.676 -3.993 1.00 0.00 C ATOM 1129 CD2 PHE A 80 6.749 7.167 -5.534 1.00 0.00 C ATOM 1130 CE1 PHE A 80 5.513 6.758 -3.110 1.00 0.00 C ATOM 1131 CE2 PHE A 80 6.490 8.249 -4.651 1.00 0.00 C ATOM 1132 CZ PHE A 80 5.877 8.022 -3.458 1.00 0.00 C ATOM 0 H PHE A 80 7.407 2.883 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 80 8.813 4.467 -5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 80 6.807 5.130 -7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.788 4.090 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.482 4.673 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.235 7.347 -6.481 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.027 6.577 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.780 9.252 -4.927 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.679 8.845 -2.787 1.00 0.00 H new ATOM 1142 N ALA A 81 6.727 2.655 -4.046 1.00 0.00 N ATOM 1143 CA ALA A 81 6.476 2.157 -2.704 1.00 0.00 C ATOM 1144 C ALA A 81 7.735 1.467 -2.176 1.00 0.00 C ATOM 1145 O ALA A 81 8.274 1.858 -1.142 1.00 0.00 O ATOM 1146 CB ALA A 81 5.264 1.223 -2.724 1.00 0.00 C ATOM 0 H ALA A 81 6.063 2.335 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 81 6.243 2.979 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.076 0.850 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.390 1.769 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.462 0.384 -3.391 1.00 0.00 H new ATOM 1152 N ALA A 82 8.168 0.453 -2.911 1.00 0.00 N ATOM 1153 CA ALA A 82 9.354 -0.295 -2.530 1.00 0.00 C ATOM 1154 C ALA A 82 10.436 0.679 -2.059 1.00 0.00 C ATOM 1155 O ALA A 82 10.989 0.520 -0.972 1.00 0.00 O ATOM 1156 CB ALA A 82 9.816 -1.155 -3.708 1.00 0.00 C ATOM 0 H ALA A 82 7.719 0.132 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 82 9.134 -0.969 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.706 -1.716 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.023 -1.849 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.049 -0.513 -4.558 1.00 0.00 H new ATOM 1162 N THR A 83 10.707 1.665 -2.902 1.00 0.00 N ATOM 1163 CA THR A 83 11.713 2.664 -2.586 1.00 0.00 C ATOM 1164 C THR A 83 11.466 3.248 -1.194 1.00 0.00 C ATOM 1165 O THR A 83 12.358 3.243 -0.347 1.00 0.00 O ATOM 1166 CB THR A 83 11.701 3.715 -3.697 1.00 0.00 C ATOM 1167 OG1 THR A 83 11.982 2.973 -4.881 1.00 0.00 O ATOM 1168 CG2 THR A 83 12.869 4.697 -3.588 1.00 0.00 C ATOM 0 H THR A 83 10.247 1.793 -3.803 1.00 0.00 H new ATOM 0 HA THR A 83 12.709 2.223 -2.547 1.00 0.00 H new ATOM 0 HB THR A 83 10.760 4.265 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.991 3.578 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.812 5.421 -4.401 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.818 5.219 -2.632 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.810 4.151 -3.653 1.00 0.00 H new ATOM 1176 N VAL A 84 10.251 3.738 -1.000 1.00 0.00 N ATOM 1177 CA VAL A 84 9.875 4.325 0.275 1.00 0.00 C ATOM 1178 C VAL A 84 10.235 3.357 1.403 1.00 0.00 C ATOM 1179 O VAL A 84 11.023 3.692 2.286 1.00 0.00 O ATOM 1180 CB VAL A 84 8.392 4.701 0.261 1.00 0.00 C ATOM 1181 CG1 VAL A 84 7.947 5.230 1.626 1.00 0.00 C ATOM 1182 CG2 VAL A 84 8.094 5.717 -0.844 1.00 0.00 C ATOM 0 H VAL A 84 9.514 3.741 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 84 10.429 5.247 0.449 1.00 0.00 H new ATOM 0 HB VAL A 84 7.820 3.798 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.889 5.490 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.105 4.462 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.529 6.116 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.033 5.967 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.682 6.620 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.355 5.289 -1.812 1.00 0.00 H new ATOM 1192 N LEU A 85 9.641 2.174 1.338 1.00 0.00 N ATOM 1193 CA LEU A 85 9.890 1.155 2.343 1.00 0.00 C ATOM 1194 C LEU A 85 11.394 0.894 2.437 1.00 0.00 C ATOM 1195 O LEU A 85 11.885 0.433 3.466 1.00 0.00 O ATOM 1196 CB LEU A 85 9.065 -0.100 2.049 1.00 0.00 C ATOM 1197 CG LEU A 85 7.552 0.101 1.943 1.00 0.00 C ATOM 1198 CD1 LEU A 85 6.871 -1.148 1.382 1.00 0.00 C ATOM 1199 CD2 LEU A 85 6.959 0.522 3.289 1.00 0.00 C ATOM 0 H LEU A 85 8.988 1.899 0.605 1.00 0.00 H new ATOM 0 HA LEU A 85 9.564 1.500 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.420 -0.533 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.260 -0.831 2.834 1.00 0.00 H new ATOM 0 HG LEU A 85 7.364 0.913 1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.796 -0.978 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.265 -1.362 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.065 -1.995 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.882 0.658 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.157 -0.251 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.414 1.459 3.610 1.00 0.00 H new ATOM 1211 N ARG A 86 12.085 1.201 1.349 1.00 0.00 N ATOM 1212 CA ARG A 86 13.524 1.005 1.296 1.00 0.00 C ATOM 1213 C ARG A 86 14.247 2.222 1.877 1.00 0.00 C ATOM 1214 O ARG A 86 15.377 2.110 2.349 1.00 0.00 O ATOM 1215 CB ARG A 86 13.996 0.778 -0.142 1.00 0.00 C ATOM 1216 CG ARG A 86 15.519 0.887 -0.242 1.00 0.00 C ATOM 1217 CD ARG A 86 16.090 -0.216 -1.136 1.00 0.00 C ATOM 1218 NE ARG A 86 17.417 -0.637 -0.635 1.00 0.00 N ATOM 1219 CZ ARG A 86 18.568 -0.032 -0.956 1.00 0.00 C ATOM 1220 NH1 ARG A 86 18.562 1.025 -1.780 1.00 0.00 N ATOM 1221 NH2 ARG A 86 19.726 -0.483 -0.454 1.00 0.00 N ATOM 0 H ARG A 86 11.675 1.584 0.497 1.00 0.00 H new ATOM 0 HA ARG A 86 13.761 0.121 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.675 -0.206 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.531 1.511 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.792 1.863 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.958 0.817 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.411 -1.069 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.177 0.144 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 86 17.458 -1.439 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 86 17.681 1.369 -2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 86 19.438 1.486 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.731 -1.288 0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.602 -0.022 -0.699 1.00 0.00 H new ATOM 1235 N ASN A 87 13.565 3.357 1.822 1.00 0.00 N ATOM 1236 CA ASN A 87 14.128 4.594 2.337 1.00 0.00 C ATOM 1237 C ASN A 87 13.908 4.659 3.849 1.00 0.00 C ATOM 1238 O ASN A 87 14.796 5.074 4.593 1.00 0.00 O ATOM 1239 CB ASN A 87 13.450 5.812 1.708 1.00 0.00 C ATOM 1240 CG ASN A 87 14.316 6.410 0.598 1.00 0.00 C ATOM 1241 OD1 ASN A 87 14.030 5.953 -0.618 1.00 0.00 O flip ATOM 1242 ND2 ASN A 87 15.187 7.233 0.830 1.00 0.00 N flip ATOM 0 H ASN A 87 12.628 3.446 1.429 1.00 0.00 H new ATOM 0 HA ASN A 87 15.190 4.607 2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.480 5.524 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.264 6.565 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.355 7.541 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.747 7.612 0.066 1.00 0.00 H new ATOM 1249 N THR A 88 12.719 4.242 4.261 1.00 0.00 N ATOM 1250 CA THR A 88 12.371 4.248 5.671 1.00 0.00 C ATOM 1251 C THR A 88 13.573 3.825 6.519 1.00 0.00 C ATOM 1252 O THR A 88 14.498 3.189 6.017 1.00 0.00 O ATOM 1253 CB THR A 88 11.148 3.348 5.860 1.00 0.00 C ATOM 1254 OG1 THR A 88 11.504 2.135 5.201 1.00 0.00 O ATOM 1255 CG2 THR A 88 9.928 3.848 5.084 1.00 0.00 C ATOM 0 H THR A 88 11.985 3.898 3.642 1.00 0.00 H new ATOM 0 HA THR A 88 12.110 5.251 6.010 1.00 0.00 H new ATOM 0 HB THR A 88 10.904 3.286 6.921 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.721 1.549 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.088 3.174 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.664 4.849 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.161 3.878 4.020 1.00 0.00 H new ATOM 1263 N LYS A 89 13.520 4.197 7.789 1.00 0.00 N ATOM 1264 CA LYS A 89 14.592 3.865 8.712 1.00 0.00 C ATOM 1265 C LYS A 89 13.995 3.266 9.987 1.00 0.00 C ATOM 1266 O LYS A 89 12.790 3.034 10.063 1.00 0.00 O ATOM 1267 CB LYS A 89 15.481 5.085 8.962 1.00 0.00 C ATOM 1268 CG LYS A 89 16.181 5.527 7.675 1.00 0.00 C ATOM 1269 CD LYS A 89 17.377 6.429 7.984 1.00 0.00 C ATOM 1270 CE LYS A 89 17.030 7.900 7.748 1.00 0.00 C ATOM 1271 NZ LYS A 89 18.076 8.778 8.319 1.00 0.00 N ATOM 0 H LYS A 89 12.751 4.725 8.201 1.00 0.00 H new ATOM 0 HA LYS A 89 15.246 3.107 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.878 5.905 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 89 16.225 4.847 9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.516 4.651 7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.475 6.059 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.687 6.286 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.222 6.146 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.932 8.089 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.066 8.130 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.825 9.773 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.151 8.609 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.989 8.570 7.866 1.00 0.00 H new ATOM 1285 N GLY A 90 14.867 3.034 10.957 1.00 0.00 N ATOM 1286 CA GLY A 90 14.441 2.467 12.226 1.00 0.00 C ATOM 1287 C GLY A 90 12.925 2.583 12.397 1.00 0.00 C ATOM 1288 O GLY A 90 12.190 1.642 12.101 1.00 0.00 O ATOM 0 H GLY A 90 15.866 3.228 10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.737 1.419 12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.943 2.981 13.045 1.00 0.00 H new ATOM 1292 N ASN A 91 12.503 3.745 12.874 1.00 0.00 N ATOM 1293 CA ASN A 91 11.088 3.996 13.088 1.00 0.00 C ATOM 1294 C ASN A 91 10.416 4.282 11.743 1.00 0.00 C ATOM 1295 O ASN A 91 10.969 4.996 10.908 1.00 0.00 O ATOM 1296 CB ASN A 91 10.875 5.212 13.991 1.00 0.00 C ATOM 1297 CG ASN A 91 9.389 5.414 14.298 1.00 0.00 C ATOM 1298 OD1 ASN A 91 8.725 6.272 13.742 1.00 0.00 O ATOM 1299 ND2 ASN A 91 8.908 4.576 15.212 1.00 0.00 N ATOM 0 H ASN A 91 13.116 4.523 13.118 1.00 0.00 H new ATOM 0 HA ASN A 91 10.657 3.114 13.563 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.427 5.080 14.921 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.274 6.103 13.507 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.927 4.629 15.486 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.520 3.880 15.638 1.00 0.00 H new ATOM 1306 N VAL A 92 9.233 3.710 11.575 1.00 0.00 N ATOM 1307 CA VAL A 92 8.480 3.895 10.347 1.00 0.00 C ATOM 1308 C VAL A 92 6.990 4.007 10.678 1.00 0.00 C ATOM 1309 O VAL A 92 6.420 3.112 11.301 1.00 0.00 O ATOM 1310 CB VAL A 92 8.790 2.761 9.367 1.00 0.00 C ATOM 1311 CG1 VAL A 92 8.057 2.967 8.040 1.00 0.00 C ATOM 1312 CG2 VAL A 92 10.298 2.627 9.145 1.00 0.00 C ATOM 0 H VAL A 92 8.777 3.118 12.269 1.00 0.00 H new ATOM 0 HA VAL A 92 8.775 4.822 9.855 1.00 0.00 H new ATOM 0 HB VAL A 92 8.431 1.830 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.295 2.147 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.982 2.990 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.371 3.910 7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 92 10.492 1.814 8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.690 3.559 8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.788 2.412 10.095 1.00 0.00 H new ATOM 1322 N ARG A 93 6.402 5.113 10.247 1.00 0.00 N ATOM 1323 CA ARG A 93 4.990 5.354 10.490 1.00 0.00 C ATOM 1324 C ARG A 93 4.161 4.913 9.282 1.00 0.00 C ATOM 1325 O ARG A 93 4.283 5.484 8.199 1.00 0.00 O ATOM 1326 CB ARG A 93 4.724 6.834 10.771 1.00 0.00 C ATOM 1327 CG ARG A 93 3.863 7.009 12.024 1.00 0.00 C ATOM 1328 CD ARG A 93 3.332 8.440 12.129 1.00 0.00 C ATOM 1329 NE ARG A 93 3.550 8.961 13.498 1.00 0.00 N ATOM 1330 CZ ARG A 93 4.716 9.453 13.938 1.00 0.00 C ATOM 1331 NH1 ARG A 93 5.777 9.494 13.120 1.00 0.00 N ATOM 1332 NH2 ARG A 93 4.821 9.903 15.195 1.00 0.00 N ATOM 0 H ARG A 93 6.878 5.853 9.731 1.00 0.00 H new ATOM 0 HA ARG A 93 4.700 4.773 11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.670 7.359 10.900 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.223 7.286 9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.028 6.309 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.451 6.770 12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.836 9.078 11.403 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.269 8.461 11.888 1.00 0.00 H new ATOM 0 HE ARG A 93 2.763 8.944 14.147 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.697 9.151 12.163 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.665 9.869 13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.013 9.871 15.817 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.709 10.278 15.530 1.00 0.00 H new ATOM 1346 N PHE A 94 3.335 3.902 9.509 1.00 0.00 N ATOM 1347 CA PHE A 94 2.486 3.379 8.452 1.00 0.00 C ATOM 1348 C PHE A 94 1.017 3.724 8.708 1.00 0.00 C ATOM 1349 O PHE A 94 0.469 3.384 9.754 1.00 0.00 O ATOM 1350 CB PHE A 94 2.648 1.858 8.460 1.00 0.00 C ATOM 1351 CG PHE A 94 4.064 1.382 8.131 1.00 0.00 C ATOM 1352 CD1 PHE A 94 4.464 1.282 6.834 1.00 0.00 C ATOM 1353 CD2 PHE A 94 4.924 1.058 9.134 1.00 0.00 C ATOM 1354 CE1 PHE A 94 5.778 0.840 6.529 1.00 0.00 C ATOM 1355 CE2 PHE A 94 6.238 0.616 8.828 1.00 0.00 C ATOM 1356 CZ PHE A 94 6.638 0.516 7.532 1.00 0.00 C ATOM 0 H PHE A 94 3.236 3.432 10.409 1.00 0.00 H new ATOM 0 HA PHE A 94 2.773 3.814 7.495 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.367 1.478 9.442 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.954 1.425 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.782 1.539 6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.607 1.137 10.163 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.095 0.761 5.500 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.920 0.359 9.625 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.638 0.180 7.299 1.00 0.00 H new ATOM 1366 N VAL A 95 0.422 4.396 7.733 1.00 0.00 N ATOM 1367 CA VAL A 95 -0.972 4.792 7.839 1.00 0.00 C ATOM 1368 C VAL A 95 -1.840 3.798 7.064 1.00 0.00 C ATOM 1369 O VAL A 95 -2.051 3.957 5.863 1.00 0.00 O ATOM 1370 CB VAL A 95 -1.145 6.235 7.361 1.00 0.00 C ATOM 1371 CG1 VAL A 95 -2.584 6.496 6.914 1.00 0.00 C ATOM 1372 CG2 VAL A 95 -0.719 7.226 8.446 1.00 0.00 C ATOM 0 H VAL A 95 0.880 4.676 6.866 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.298 4.767 8.879 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.495 6.383 6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.679 7.529 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.838 5.824 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.262 6.321 7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.852 8.244 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.331 7.077 9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.330 7.064 8.695 1.00 0.00 H new ATOM 1382 N ILE A 96 -2.319 2.793 7.784 1.00 0.00 N ATOM 1383 CA ILE A 96 -3.159 1.774 7.179 1.00 0.00 C ATOM 1384 C ILE A 96 -4.585 2.309 7.043 1.00 0.00 C ATOM 1385 O ILE A 96 -5.012 3.157 7.826 1.00 0.00 O ATOM 1386 CB ILE A 96 -3.065 0.466 7.967 1.00 0.00 C ATOM 1387 CG1 ILE A 96 -1.648 0.247 8.500 1.00 0.00 C ATOM 1388 CG2 ILE A 96 -3.551 -0.717 7.127 1.00 0.00 C ATOM 1389 CD1 ILE A 96 -0.605 0.537 7.419 1.00 0.00 C ATOM 0 H ILE A 96 -2.141 2.663 8.780 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.810 1.540 6.173 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.726 0.540 8.831 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.475 0.894 9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.541 -0.781 8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.473 -1.634 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.590 -0.557 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.936 -0.804 6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.394 0.374 7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.766 -0.128 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.699 1.572 7.091 1.00 0.00 H new ATOM 1401 N GLY A 97 -5.284 1.792 6.043 1.00 0.00 N ATOM 1402 CA GLY A 97 -6.654 2.208 5.794 1.00 0.00 C ATOM 1403 C GLY A 97 -7.623 1.036 5.967 1.00 0.00 C ATOM 1404 O GLY A 97 -7.703 0.160 5.108 1.00 0.00 O ATOM 0 H GLY A 97 -4.927 1.089 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.924 3.012 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.738 2.608 4.784 1.00 0.00 H new ATOM 1408 N ARG A 98 -8.334 1.058 7.085 1.00 0.00 N ATOM 1409 CA ARG A 98 -9.294 0.009 7.382 1.00 0.00 C ATOM 1410 C ARG A 98 -10.706 0.457 6.999 1.00 0.00 C ATOM 1411 O ARG A 98 -11.057 1.624 7.165 1.00 0.00 O ATOM 1412 CB ARG A 98 -9.268 -0.357 8.867 1.00 0.00 C ATOM 1413 CG ARG A 98 -9.168 -1.872 9.057 1.00 0.00 C ATOM 1414 CD ARG A 98 -7.828 -2.259 9.686 1.00 0.00 C ATOM 1415 NE ARG A 98 -7.176 -3.314 8.879 1.00 0.00 N ATOM 1416 CZ ARG A 98 -7.679 -4.544 8.704 1.00 0.00 C ATOM 1417 NH1 ARG A 98 -8.842 -4.880 9.277 1.00 0.00 N ATOM 1418 NH2 ARG A 98 -7.018 -5.437 7.955 1.00 0.00 N ATOM 0 H ARG A 98 -8.264 1.786 7.796 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.017 -0.869 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.421 0.130 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.170 0.015 9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.985 -2.217 9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.279 -2.371 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.180 -1.385 9.748 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.984 -2.613 10.705 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.289 -3.091 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.345 -4.200 9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.225 -5.816 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.133 -5.181 7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.400 -6.373 7.821 1.00 0.00 H new ATOM 1432 N GLU A 99 -11.478 -0.494 6.494 1.00 0.00 N ATOM 1433 CA GLU A 99 -12.844 -0.212 6.086 1.00 0.00 C ATOM 1434 C GLU A 99 -13.715 0.073 7.311 1.00 0.00 C ATOM 1435 O GLU A 99 -13.894 -0.794 8.165 1.00 0.00 O ATOM 1436 CB GLU A 99 -13.418 -1.365 5.261 1.00 0.00 C ATOM 1437 CG GLU A 99 -13.477 -0.999 3.776 1.00 0.00 C ATOM 1438 CD GLU A 99 -13.137 -2.207 2.900 1.00 0.00 C ATOM 1439 OE1 GLU A 99 -11.931 -2.385 2.623 1.00 0.00 O ATOM 1440 OE2 GLU A 99 -14.090 -2.925 2.528 1.00 0.00 O ATOM 0 H GLU A 99 -11.183 -1.461 6.358 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.839 0.676 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.803 -2.255 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.418 -1.611 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -14.473 -0.634 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.779 -0.188 3.570 1.00 0.00 H new