USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 769 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 75 THR OG1 : rot 117:sc= 1.1 USER MOD Set 1.2: A 77 HIS : no HD1:sc= 0.602 K(o=1.7,f=-1.9) USER MOD Single : A 12 ASN : amide:sc= -1.83! C(o=-1.8!,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.049) USER MOD Single : A 18 MET CE :methyl 177:sc= -3.94! (180deg=-3.97!) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 0.278 (180deg=-1.36) USER MOD Single : A 27 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -153:sc= -0.167 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= -0.793 (180deg=-0.812) USER MOD Single : A 47 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.4) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.285 K(o=-0.28,f=-2.6!) USER MOD Single : A 67 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.18) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.148 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= -0.112 (180deg=-0.778) USER MOD Single : A 80 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.049) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00754) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 93 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc=-0.00335 USER MOD Single : A 111 ASN : amide:sc= -3.58 K(o=-3.6,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 6.961 -10.487 -7.336 1.00 0.00 N ATOM 138 CA ASN A 12 6.744 -9.194 -7.975 1.00 0.00 C ATOM 139 C ASN A 12 7.785 -8.178 -7.514 1.00 0.00 C ATOM 140 O ASN A 12 8.318 -7.412 -8.316 1.00 0.00 O ATOM 141 CB ASN A 12 5.338 -8.677 -7.664 1.00 0.00 C ATOM 142 CG ASN A 12 5.039 -7.362 -8.358 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.615 -7.339 -9.513 1.00 0.00 O ATOM 144 ND2 ASN A 12 5.259 -6.258 -7.653 1.00 0.00 N ATOM 0 HA ASN A 12 6.844 -9.328 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.604 -9.422 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.231 -8.549 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.076 -5.344 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.611 -6.324 -6.698 1.00 0.00 H new ATOM 151 N GLY A 13 8.070 -8.179 -6.215 1.00 0.00 N ATOM 152 CA GLY A 13 9.046 -7.254 -5.669 1.00 0.00 C ATOM 153 C GLY A 13 8.781 -6.923 -4.214 1.00 0.00 C ATOM 154 O GLY A 13 9.713 -6.705 -3.440 1.00 0.00 O ATOM 0 H GLY A 13 7.642 -8.804 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.043 -7.684 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.038 -6.335 -6.255 1.00 0.00 H new ATOM 158 N PHE A 14 7.506 -6.884 -3.841 1.00 0.00 N ATOM 159 CA PHE A 14 7.121 -6.575 -2.469 1.00 0.00 C ATOM 160 C PHE A 14 7.944 -7.390 -1.475 1.00 0.00 C ATOM 161 O PHE A 14 8.014 -8.616 -1.567 1.00 0.00 O ATOM 162 CB PHE A 14 5.630 -6.851 -2.261 1.00 0.00 C ATOM 163 CG PHE A 14 4.736 -5.838 -2.916 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.428 -4.648 -2.276 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.203 -6.075 -4.173 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.604 -3.715 -2.876 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.379 -5.145 -4.779 1.00 0.00 C ATOM 168 CZ PHE A 14 3.081 -3.963 -4.130 1.00 0.00 C ATOM 0 H PHE A 14 6.722 -7.062 -4.469 1.00 0.00 H new ATOM 0 HA PHE A 14 7.316 -5.517 -2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.394 -7.840 -2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.418 -6.873 -1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.837 -4.447 -1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.434 -6.997 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.369 -2.793 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.969 -5.343 -5.758 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.440 -3.234 -4.602 1.00 0.00 H new ATOM 178 N LYS A 15 8.567 -6.700 -0.526 1.00 0.00 N ATOM 179 CA LYS A 15 9.385 -7.357 0.486 1.00 0.00 C ATOM 180 C LYS A 15 8.689 -7.341 1.843 1.00 0.00 C ATOM 181 O LYS A 15 7.994 -6.384 2.185 1.00 0.00 O ATOM 182 CB LYS A 15 10.749 -6.672 0.593 1.00 0.00 C ATOM 183 CG LYS A 15 11.491 -6.584 -0.730 1.00 0.00 C ATOM 184 CD LYS A 15 12.964 -6.273 -0.524 1.00 0.00 C ATOM 185 CE LYS A 15 13.665 -5.995 -1.844 1.00 0.00 C ATOM 186 NZ LYS A 15 13.296 -4.663 -2.398 1.00 0.00 N ATOM 0 H LYS A 15 8.521 -5.685 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 15 9.529 -8.394 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.611 -5.666 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.364 -7.216 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.389 -7.526 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.038 -5.811 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.066 -5.409 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.448 -7.112 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.744 -6.042 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.406 -6.772 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.881 -4.460 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.292 -4.666 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.456 -3.931 -1.677 1.00 0.00 H new ATOM 200 N VAL A 16 8.881 -8.407 2.614 1.00 0.00 N ATOM 201 CA VAL A 16 8.274 -8.514 3.936 1.00 0.00 C ATOM 202 C VAL A 16 8.769 -7.407 4.859 1.00 0.00 C ATOM 203 O VAL A 16 9.972 -7.204 5.014 1.00 0.00 O ATOM 204 CB VAL A 16 8.574 -9.879 4.582 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.032 -9.928 6.003 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.994 -11.006 3.742 1.00 0.00 C ATOM 0 H VAL A 16 9.452 -9.209 2.346 1.00 0.00 H new ATOM 0 HA VAL A 16 7.197 -8.414 3.799 1.00 0.00 H new ATOM 0 HB VAL A 16 9.655 -10.010 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.253 -10.900 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.501 -9.145 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.953 -9.774 5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.216 -11.963 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.914 -10.882 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.436 -10.982 2.746 1.00 0.00 H new ATOM 216 N GLY A 17 7.830 -6.692 5.473 1.00 0.00 N ATOM 217 CA GLY A 17 8.190 -5.613 6.374 1.00 0.00 C ATOM 218 C GLY A 17 7.756 -4.256 5.857 1.00 0.00 C ATOM 219 O GLY A 17 7.405 -3.371 6.637 1.00 0.00 O ATOM 0 H GLY A 17 6.827 -6.841 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.734 -5.790 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.270 -5.613 6.523 1.00 0.00 H new ATOM 223 N MET A 18 7.781 -4.091 4.539 1.00 0.00 N ATOM 224 CA MET A 18 7.387 -2.831 3.919 1.00 0.00 C ATOM 225 C MET A 18 5.896 -2.573 4.112 1.00 0.00 C ATOM 226 O MET A 18 5.060 -3.403 3.755 1.00 0.00 O ATOM 227 CB MET A 18 7.725 -2.844 2.427 1.00 0.00 C ATOM 228 CG MET A 18 9.205 -3.038 2.141 1.00 0.00 C ATOM 229 SD MET A 18 9.719 -2.275 0.590 1.00 0.00 S ATOM 230 CE MET A 18 9.253 -3.545 -0.583 1.00 0.00 C ATOM 0 H MET A 18 8.070 -4.814 3.880 1.00 0.00 H new ATOM 0 HA MET A 18 7.943 -2.028 4.403 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.162 -3.642 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 18 7.397 -1.905 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.788 -2.616 2.960 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.428 -4.104 2.108 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.459 -3.198 -1.596 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.827 -4.451 -0.386 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.189 -3.760 -0.483 1.00 0.00 H new ATOM 240 N LYS A 19 5.569 -1.417 4.680 1.00 0.00 N ATOM 241 CA LYS A 19 4.179 -1.048 4.920 1.00 0.00 C ATOM 242 C LYS A 19 3.559 -0.422 3.675 1.00 0.00 C ATOM 243 O LYS A 19 4.265 0.119 2.822 1.00 0.00 O ATOM 244 CB LYS A 19 4.085 -0.072 6.095 1.00 0.00 C ATOM 245 CG LYS A 19 4.586 -0.649 7.407 1.00 0.00 C ATOM 246 CD LYS A 19 5.126 0.436 8.324 1.00 0.00 C ATOM 247 CE LYS A 19 5.837 -0.157 9.531 1.00 0.00 C ATOM 248 NZ LYS A 19 6.242 0.892 10.506 1.00 0.00 N ATOM 0 H LYS A 19 6.248 -0.719 4.983 1.00 0.00 H new ATOM 0 HA LYS A 19 3.625 -1.955 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.659 0.824 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.047 0.238 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.774 -1.178 7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.369 -1.381 7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.816 1.072 7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.306 1.072 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.181 -0.876 10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.719 -0.705 9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.186 0.670 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.267 1.817 10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.556 0.923 11.287 1.00 0.00 H new ATOM 262 N LEU A 20 2.237 -0.498 3.576 1.00 0.00 N ATOM 263 CA LEU A 20 1.521 0.063 2.435 1.00 0.00 C ATOM 264 C LEU A 20 0.035 0.215 2.745 1.00 0.00 C ATOM 265 O LEU A 20 -0.438 -0.229 3.791 1.00 0.00 O ATOM 266 CB LEU A 20 1.708 -0.825 1.204 1.00 0.00 C ATOM 267 CG LEU A 20 0.986 -2.172 1.232 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.721 -2.666 -0.182 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.796 -3.196 2.014 1.00 0.00 C ATOM 0 H LEU A 20 1.638 -0.943 4.272 1.00 0.00 H new ATOM 0 HA LEU A 20 1.933 1.051 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.370 -0.272 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.774 -1.010 1.073 1.00 0.00 H new ATOM 0 HG LEU A 20 0.027 -2.038 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.206 -3.626 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.099 -1.943 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.667 -2.784 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.266 -4.149 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.770 -3.327 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.933 -2.847 3.038 1.00 0.00 H new ATOM 281 N GLU A 21 -0.694 0.844 1.829 1.00 0.00 N ATOM 282 CA GLU A 21 -2.126 1.052 2.005 1.00 0.00 C ATOM 283 C GLU A 21 -2.927 0.146 1.074 1.00 0.00 C ATOM 284 O GLU A 21 -2.512 -0.128 -0.051 1.00 0.00 O ATOM 285 CB GLU A 21 -2.487 2.516 1.743 1.00 0.00 C ATOM 286 CG GLU A 21 -2.055 3.457 2.855 1.00 0.00 C ATOM 287 CD GLU A 21 -2.578 4.867 2.662 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.161 5.143 1.593 1.00 0.00 O ATOM 289 OE2 GLU A 21 -2.405 5.695 3.581 1.00 0.00 O ATOM 0 H GLU A 21 -0.317 1.218 0.958 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.379 0.800 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.024 2.834 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.566 2.597 1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.408 3.070 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.966 3.481 2.903 1.00 0.00 H new ATOM 296 N GLY A 22 -4.078 -0.317 1.553 1.00 0.00 N ATOM 297 CA GLY A 22 -4.918 -1.188 0.753 1.00 0.00 C ATOM 298 C GLY A 22 -6.395 -0.929 0.971 1.00 0.00 C ATOM 299 O GLY A 22 -6.773 -0.114 1.813 1.00 0.00 O ATOM 0 H GLY A 22 -4.443 -0.104 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.680 -1.049 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.695 -2.227 0.996 1.00 0.00 H new ATOM 303 N VAL A 23 -7.235 -1.623 0.209 1.00 0.00 N ATOM 304 CA VAL A 23 -8.680 -1.464 0.322 1.00 0.00 C ATOM 305 C VAL A 23 -9.312 -2.663 1.019 1.00 0.00 C ATOM 306 O VAL A 23 -8.871 -3.799 0.845 1.00 0.00 O ATOM 307 CB VAL A 23 -9.335 -1.283 -1.060 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.828 -1.562 -0.984 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.072 0.117 -1.595 1.00 0.00 C ATOM 0 H VAL A 23 -6.939 -2.301 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.854 -0.568 0.918 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.891 -2.000 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.274 -1.429 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.990 -2.586 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.292 -0.871 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.542 0.227 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.488 0.853 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.998 0.275 -1.689 1.00 0.00 H new ATOM 319 N ASP A 24 -10.348 -2.403 1.809 1.00 0.00 N ATOM 320 CA ASP A 24 -11.044 -3.462 2.531 1.00 0.00 C ATOM 321 C ASP A 24 -11.971 -4.236 1.601 1.00 0.00 C ATOM 322 O ASP A 24 -12.641 -3.668 0.738 1.00 0.00 O ATOM 323 CB ASP A 24 -11.843 -2.874 3.695 1.00 0.00 C ATOM 324 CG ASP A 24 -12.385 -3.943 4.624 1.00 0.00 C ATOM 325 OD1 ASP A 24 -13.358 -4.624 4.240 1.00 0.00 O ATOM 326 OD2 ASP A 24 -11.836 -4.098 5.735 1.00 0.00 O ATOM 0 H ASP A 24 -10.724 -1.468 1.966 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.297 -4.151 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.207 -2.193 4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.671 -2.284 3.302 1.00 0.00 H new ATOM 331 N PRO A 25 -12.012 -5.565 1.777 1.00 0.00 N ATOM 332 CA PRO A 25 -12.854 -6.447 0.962 1.00 0.00 C ATOM 333 C PRO A 25 -14.339 -6.264 1.255 1.00 0.00 C ATOM 334 O PRO A 25 -15.182 -6.966 0.698 1.00 0.00 O ATOM 335 CB PRO A 25 -12.397 -7.850 1.370 1.00 0.00 C ATOM 336 CG PRO A 25 -11.849 -7.685 2.746 1.00 0.00 C ATOM 337 CD PRO A 25 -11.241 -6.310 2.786 1.00 0.00 C ATOM 0 HA PRO A 25 -12.748 -6.242 -0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.227 -8.556 1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.640 -8.234 0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.635 -7.786 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.102 -8.449 2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.332 -5.859 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.179 -6.333 2.543 1.00 0.00 H new ATOM 345 N GLU A 26 -14.652 -5.315 2.133 1.00 0.00 N ATOM 346 CA GLU A 26 -16.037 -5.041 2.499 1.00 0.00 C ATOM 347 C GLU A 26 -16.536 -3.766 1.825 1.00 0.00 C ATOM 348 O GLU A 26 -17.738 -3.584 1.628 1.00 0.00 O ATOM 349 CB GLU A 26 -16.170 -4.914 4.018 1.00 0.00 C ATOM 350 CG GLU A 26 -15.737 -6.159 4.773 1.00 0.00 C ATOM 351 CD GLU A 26 -16.876 -7.136 4.990 1.00 0.00 C ATOM 352 OE1 GLU A 26 -17.995 -6.682 5.309 1.00 0.00 O ATOM 353 OE2 GLU A 26 -16.648 -8.355 4.841 1.00 0.00 O ATOM 0 H GLU A 26 -13.966 -4.724 2.603 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.649 -5.875 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.573 -4.068 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.208 -4.691 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.938 -6.655 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.324 -5.868 5.739 1.00 0.00 H new ATOM 360 N HIS A 27 -15.604 -2.886 1.473 1.00 0.00 N ATOM 361 CA HIS A 27 -15.948 -1.627 0.821 1.00 0.00 C ATOM 362 C HIS A 27 -14.817 -1.161 -0.091 1.00 0.00 C ATOM 363 O HIS A 27 -13.669 -1.048 0.338 1.00 0.00 O ATOM 364 CB HIS A 27 -16.251 -0.554 1.866 1.00 0.00 C ATOM 365 CG HIS A 27 -17.458 -0.854 2.701 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.706 -1.087 2.163 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.602 -0.961 4.043 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.566 -1.323 3.138 1.00 0.00 C ATOM 369 NE2 HIS A 27 -18.922 -1.253 4.288 1.00 0.00 N ATOM 0 H HIS A 27 -14.605 -3.021 1.628 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.837 -1.792 0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.386 -0.441 2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.397 0.401 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.825 -0.840 4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.617 -1.537 3.015 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.337 -1.393 5.209 1.00 0.00 H new ATOM 378 N GLN A 28 -15.150 -0.893 -1.349 1.00 0.00 N ATOM 379 CA GLN A 28 -14.162 -0.441 -2.321 1.00 0.00 C ATOM 380 C GLN A 28 -13.961 1.068 -2.231 1.00 0.00 C ATOM 381 O GLN A 28 -13.591 1.714 -3.212 1.00 0.00 O ATOM 382 CB GLN A 28 -14.594 -0.827 -3.737 1.00 0.00 C ATOM 383 CG GLN A 28 -14.236 -2.256 -4.114 1.00 0.00 C ATOM 384 CD GLN A 28 -14.373 -2.518 -5.601 1.00 0.00 C ATOM 385 OE1 GLN A 28 -15.475 -2.734 -6.106 1.00 0.00 O ATOM 386 NE2 GLN A 28 -13.251 -2.502 -6.311 1.00 0.00 N ATOM 0 H GLN A 28 -16.096 -0.981 -1.719 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.215 -0.930 -2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.672 -0.695 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.129 -0.145 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.212 -2.464 -3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.880 -2.944 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.359 -2.319 -5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.281 -2.673 -7.316 1.00 0.00 H new ATOM 395 N SER A 29 -14.209 1.624 -1.050 1.00 0.00 N ATOM 396 CA SER A 29 -14.059 3.058 -0.833 1.00 0.00 C ATOM 397 C SER A 29 -13.170 3.336 0.375 1.00 0.00 C ATOM 398 O SER A 29 -12.499 4.365 0.444 1.00 0.00 O ATOM 399 CB SER A 29 -15.429 3.711 -0.634 1.00 0.00 C ATOM 400 OG SER A 29 -16.032 4.020 -1.878 1.00 0.00 O ATOM 0 H SER A 29 -14.515 1.103 -0.228 1.00 0.00 H new ATOM 0 HA SER A 29 -13.585 3.486 -1.716 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.076 3.040 -0.069 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.319 4.621 -0.043 1.00 0.00 H new ATOM 0 HG SER A 29 -16.907 4.434 -1.724 1.00 0.00 H new ATOM 406 N VAL A 30 -13.171 2.409 1.328 1.00 0.00 N ATOM 407 CA VAL A 30 -12.365 2.551 2.534 1.00 0.00 C ATOM 408 C VAL A 30 -10.938 2.069 2.302 1.00 0.00 C ATOM 409 O VAL A 30 -10.716 1.036 1.669 1.00 0.00 O ATOM 410 CB VAL A 30 -12.975 1.769 3.713 1.00 0.00 C ATOM 411 CG1 VAL A 30 -12.101 1.901 4.951 1.00 0.00 C ATOM 412 CG2 VAL A 30 -14.390 2.248 3.995 1.00 0.00 C ATOM 0 H VAL A 30 -13.722 1.551 1.288 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.351 3.613 2.781 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.021 0.714 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.548 1.342 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.108 1.504 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.020 2.952 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.805 1.685 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.372 3.309 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.009 2.095 3.111 1.00 0.00 H new ATOM 422 N TYR A 31 -9.973 2.822 2.817 1.00 0.00 N ATOM 423 CA TYR A 31 -8.566 2.472 2.664 1.00 0.00 C ATOM 424 C TYR A 31 -7.905 2.266 4.023 1.00 0.00 C ATOM 425 O TYR A 31 -7.790 3.200 4.818 1.00 0.00 O ATOM 426 CB TYR A 31 -7.829 3.564 1.886 1.00 0.00 C ATOM 427 CG TYR A 31 -8.278 3.691 0.448 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.933 2.730 -0.495 1.00 0.00 C ATOM 429 CD2 TYR A 31 -9.047 4.770 0.032 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.340 2.842 -1.810 1.00 0.00 C ATOM 431 CE2 TYR A 31 -9.460 4.890 -1.281 1.00 0.00 C ATOM 432 CZ TYR A 31 -9.103 3.924 -2.199 1.00 0.00 C ATOM 433 OH TYR A 31 -9.512 4.038 -3.508 1.00 0.00 O ATOM 0 H TYR A 31 -10.139 3.679 3.344 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.509 1.537 2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.976 4.519 2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.760 3.354 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.337 1.881 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.327 5.529 0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.063 2.087 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.059 5.735 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.042 4.856 -3.615 1.00 0.00 H new ATOM 443 N CYS A 32 -7.471 1.038 4.282 1.00 0.00 N ATOM 444 CA CYS A 32 -6.820 0.707 5.545 1.00 0.00 C ATOM 445 C CYS A 32 -5.333 0.443 5.338 1.00 0.00 C ATOM 446 O CYS A 32 -4.881 0.223 4.214 1.00 0.00 O ATOM 447 CB CYS A 32 -7.485 -0.515 6.180 1.00 0.00 C ATOM 448 SG CYS A 32 -7.067 -0.761 7.922 1.00 0.00 S ATOM 0 H CYS A 32 -7.558 0.255 3.634 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.928 1.560 6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.567 -0.416 6.087 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.197 -1.404 5.619 1.00 0.00 H new ATOM 0 HG CYS A 32 -7.164 -2.023 8.217 1.00 0.00 H new ATOM 454 N VAL A 33 -4.575 0.468 6.430 1.00 0.00 N ATOM 455 CA VAL A 33 -3.137 0.231 6.368 1.00 0.00 C ATOM 456 C VAL A 33 -2.817 -1.251 6.523 1.00 0.00 C ATOM 457 O VAL A 33 -3.263 -1.898 7.473 1.00 0.00 O ATOM 458 CB VAL A 33 -2.391 1.023 7.458 1.00 0.00 C ATOM 459 CG1 VAL A 33 -3.012 0.769 8.823 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.913 0.663 7.460 1.00 0.00 C ATOM 0 H VAL A 33 -4.932 0.650 7.368 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.802 0.571 5.388 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.482 2.086 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.471 1.337 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.056 1.082 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.954 -0.294 9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.401 1.232 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.798 -0.403 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.479 0.902 6.489 1.00 0.00 H new ATOM 470 N LEU A 34 -2.042 -1.785 5.586 1.00 0.00 N ATOM 471 CA LEU A 34 -1.660 -3.192 5.618 1.00 0.00 C ATOM 472 C LEU A 34 -0.143 -3.345 5.627 1.00 0.00 C ATOM 473 O LEU A 34 0.589 -2.403 5.323 1.00 0.00 O ATOM 474 CB LEU A 34 -2.251 -3.929 4.415 1.00 0.00 C ATOM 475 CG LEU A 34 -3.738 -3.691 4.146 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.067 -3.963 2.686 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.590 -4.562 5.058 1.00 0.00 C ATOM 0 H LEU A 34 -1.665 -1.264 4.794 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.056 -3.629 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.691 -3.640 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.094 -4.998 4.557 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.964 -2.646 4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.129 -3.788 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.482 -3.297 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.826 -4.998 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.645 -4.380 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.361 -5.612 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.375 -4.319 6.098 1.00 0.00 H new ATOM 489 N THR A 35 0.325 -4.540 5.976 1.00 0.00 N ATOM 490 CA THR A 35 1.754 -4.818 6.023 1.00 0.00 C ATOM 491 C THR A 35 2.079 -6.148 5.355 1.00 0.00 C ATOM 492 O THR A 35 1.450 -7.168 5.640 1.00 0.00 O ATOM 493 CB THR A 35 2.274 -4.844 7.473 1.00 0.00 C ATOM 494 OG1 THR A 35 1.948 -3.616 8.133 1.00 0.00 O ATOM 495 CG2 THR A 35 3.779 -5.059 7.505 1.00 0.00 C ATOM 0 H THR A 35 -0.267 -5.331 6.230 1.00 0.00 H new ATOM 0 HA THR A 35 2.250 -4.013 5.481 1.00 0.00 H new ATOM 0 HB THR A 35 1.794 -5.673 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.281 -3.642 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.123 -5.074 8.539 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.021 -6.009 7.029 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.274 -4.249 6.970 1.00 0.00 H new ATOM 503 N VAL A 36 3.066 -6.133 4.464 1.00 0.00 N ATOM 504 CA VAL A 36 3.475 -7.340 3.756 1.00 0.00 C ATOM 505 C VAL A 36 4.080 -8.360 4.713 1.00 0.00 C ATOM 506 O VAL A 36 5.206 -8.195 5.182 1.00 0.00 O ATOM 507 CB VAL A 36 4.498 -7.021 2.649 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.793 -8.263 1.821 1.00 0.00 C ATOM 509 CG2 VAL A 36 3.992 -5.890 1.767 1.00 0.00 C ATOM 0 H VAL A 36 3.597 -5.298 4.216 1.00 0.00 H new ATOM 0 HA VAL A 36 2.578 -7.760 3.302 1.00 0.00 H new ATOM 0 HB VAL A 36 5.427 -6.697 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.517 -8.019 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.201 -9.042 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.872 -8.620 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.727 -5.678 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.050 -6.183 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.836 -4.998 2.373 1.00 0.00 H new ATOM 519 N ALA A 37 3.325 -9.416 4.999 1.00 0.00 N ATOM 520 CA ALA A 37 3.788 -10.465 5.899 1.00 0.00 C ATOM 521 C ALA A 37 4.359 -11.644 5.119 1.00 0.00 C ATOM 522 O ALA A 37 5.324 -12.275 5.549 1.00 0.00 O ATOM 523 CB ALA A 37 2.652 -10.926 6.800 1.00 0.00 C ATOM 0 H ALA A 37 2.390 -9.567 4.620 1.00 0.00 H new ATOM 0 HA ALA A 37 4.584 -10.053 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.012 -11.710 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.291 -10.084 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.838 -11.315 6.189 1.00 0.00 H new ATOM 529 N GLU A 38 3.756 -11.937 3.971 1.00 0.00 N ATOM 530 CA GLU A 38 4.205 -13.042 3.133 1.00 0.00 C ATOM 531 C GLU A 38 4.030 -12.710 1.654 1.00 0.00 C ATOM 532 O GLU A 38 3.147 -11.937 1.280 1.00 0.00 O ATOM 533 CB GLU A 38 3.432 -14.318 3.475 1.00 0.00 C ATOM 534 CG GLU A 38 4.089 -15.585 2.955 1.00 0.00 C ATOM 535 CD GLU A 38 5.484 -15.790 3.511 1.00 0.00 C ATOM 536 OE1 GLU A 38 5.609 -16.023 4.731 1.00 0.00 O ATOM 537 OE2 GLU A 38 6.452 -15.718 2.724 1.00 0.00 O ATOM 0 H GLU A 38 2.956 -11.425 3.600 1.00 0.00 H new ATOM 0 HA GLU A 38 5.265 -13.204 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.328 -14.391 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.426 -14.245 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.469 -16.443 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.138 -15.544 1.867 1.00 0.00 H new ATOM 544 N VAL A 39 4.878 -13.298 0.817 1.00 0.00 N ATOM 545 CA VAL A 39 4.817 -13.066 -0.622 1.00 0.00 C ATOM 546 C VAL A 39 5.029 -14.362 -1.397 1.00 0.00 C ATOM 547 O VAL A 39 5.820 -15.215 -0.995 1.00 0.00 O ATOM 548 CB VAL A 39 5.871 -12.035 -1.068 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.735 -11.742 -2.555 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.747 -10.758 -0.251 1.00 0.00 C ATOM 0 H VAL A 39 5.616 -13.939 1.110 1.00 0.00 H new ATOM 0 HA VAL A 39 3.823 -12.676 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 39 6.862 -12.455 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.488 -11.012 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.878 -12.662 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.741 -11.342 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.499 -10.041 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.754 -10.331 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.899 -10.985 0.804 1.00 0.00 H new ATOM 560 N CYS A 40 4.317 -14.501 -2.510 1.00 0.00 N ATOM 561 CA CYS A 40 4.426 -15.694 -3.343 1.00 0.00 C ATOM 562 C CYS A 40 3.721 -15.489 -4.679 1.00 0.00 C ATOM 563 O CYS A 40 2.750 -14.740 -4.773 1.00 0.00 O ATOM 564 CB CYS A 40 3.833 -16.903 -2.618 1.00 0.00 C ATOM 565 SG CYS A 40 4.078 -18.473 -3.481 1.00 0.00 S ATOM 0 H CYS A 40 3.659 -13.803 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 40 5.483 -15.879 -3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.278 -16.973 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.764 -16.741 -2.477 1.00 0.00 H new ATOM 0 HG CYS A 40 3.544 -19.436 -2.790 1.00 0.00 H new ATOM 571 N GLY A 41 4.218 -16.161 -5.714 1.00 0.00 N ATOM 572 CA GLY A 41 3.625 -16.038 -7.032 1.00 0.00 C ATOM 573 C GLY A 41 3.319 -14.599 -7.399 1.00 0.00 C ATOM 574 O GLY A 41 3.998 -13.678 -6.945 1.00 0.00 O ATOM 0 H GLY A 41 5.021 -16.788 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.303 -16.462 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.706 -16.622 -7.069 1.00 0.00 H new ATOM 578 N TYR A 42 2.296 -14.406 -8.223 1.00 0.00 N ATOM 579 CA TYR A 42 1.904 -13.069 -8.654 1.00 0.00 C ATOM 580 C TYR A 42 0.964 -12.423 -7.640 1.00 0.00 C ATOM 581 O TYR A 42 0.185 -11.532 -7.979 1.00 0.00 O ATOM 582 CB TYR A 42 1.229 -13.129 -10.025 1.00 0.00 C ATOM 583 CG TYR A 42 1.333 -11.841 -10.809 1.00 0.00 C ATOM 584 CD1 TYR A 42 2.535 -11.453 -11.390 1.00 0.00 C ATOM 585 CD2 TYR A 42 0.231 -11.010 -10.968 1.00 0.00 C ATOM 586 CE1 TYR A 42 2.635 -10.276 -12.106 1.00 0.00 C ATOM 587 CE2 TYR A 42 0.322 -9.832 -11.684 1.00 0.00 C ATOM 588 CZ TYR A 42 1.526 -9.469 -12.251 1.00 0.00 C ATOM 589 OH TYR A 42 1.620 -8.296 -12.963 1.00 0.00 O ATOM 0 H TYR A 42 1.723 -15.158 -8.606 1.00 0.00 H new ATOM 0 HA TYR A 42 2.805 -12.460 -8.727 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.677 -13.935 -10.606 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.177 -13.379 -9.892 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.405 -12.083 -11.280 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.713 -11.290 -10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.577 -9.989 -12.550 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.545 -9.199 -11.799 1.00 0.00 H new ATOM 0 HH TYR A 42 0.749 -7.847 -12.970 1.00 0.00 H new ATOM 599 N ARG A 43 1.043 -12.881 -6.395 1.00 0.00 N ATOM 600 CA ARG A 43 0.200 -12.350 -5.331 1.00 0.00 C ATOM 601 C ARG A 43 1.027 -12.031 -4.089 1.00 0.00 C ATOM 602 O ARG A 43 2.218 -12.337 -4.030 1.00 0.00 O ATOM 603 CB ARG A 43 -0.904 -13.349 -4.979 1.00 0.00 C ATOM 604 CG ARG A 43 -1.815 -13.687 -6.147 1.00 0.00 C ATOM 605 CD ARG A 43 -1.267 -14.847 -6.964 1.00 0.00 C ATOM 606 NE ARG A 43 -2.330 -15.611 -7.611 1.00 0.00 N ATOM 607 CZ ARG A 43 -3.092 -16.494 -6.976 1.00 0.00 C ATOM 608 NH1 ARG A 43 -2.910 -16.723 -5.683 1.00 0.00 N ATOM 609 NH2 ARG A 43 -4.040 -17.150 -7.635 1.00 0.00 N ATOM 0 H ARG A 43 1.682 -13.619 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.255 -11.427 -5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.447 -14.267 -4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.505 -12.941 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.808 -13.940 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.928 -12.812 -6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.582 -14.465 -7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.690 -15.506 -6.316 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.496 -15.458 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.183 -16.220 -5.173 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.497 -17.402 -5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.183 -16.976 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.625 -17.828 -7.146 1.00 0.00 H new ATOM 623 N ILE A 44 0.388 -11.414 -3.101 1.00 0.00 N ATOM 624 CA ILE A 44 1.065 -11.054 -1.861 1.00 0.00 C ATOM 625 C ILE A 44 0.099 -11.075 -0.682 1.00 0.00 C ATOM 626 O ILE A 44 -1.043 -10.628 -0.792 1.00 0.00 O ATOM 627 CB ILE A 44 1.712 -9.660 -1.957 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.674 -8.621 -2.387 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.881 -9.684 -2.930 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.143 -7.193 -2.219 1.00 0.00 C ATOM 0 H ILE A 44 -0.597 -11.153 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 44 1.846 -11.797 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 44 2.090 -9.382 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.415 -8.789 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.236 -8.767 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.328 -8.691 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.628 -10.399 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.526 -9.979 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.357 -6.511 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.375 -7.007 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.036 -7.030 -2.822 1.00 0.00 H new ATOM 642 N LYS A 45 0.565 -11.595 0.449 1.00 0.00 N ATOM 643 CA LYS A 45 -0.255 -11.672 1.652 1.00 0.00 C ATOM 644 C LYS A 45 -0.415 -10.295 2.290 1.00 0.00 C ATOM 645 O LYS A 45 0.558 -9.557 2.448 1.00 0.00 O ATOM 646 CB LYS A 45 0.367 -12.643 2.657 1.00 0.00 C ATOM 647 CG LYS A 45 -0.519 -12.926 3.858 1.00 0.00 C ATOM 648 CD LYS A 45 -0.017 -14.120 4.652 1.00 0.00 C ATOM 649 CE LYS A 45 -1.040 -14.573 5.683 1.00 0.00 C ATOM 650 NZ LYS A 45 -2.307 -15.027 5.046 1.00 0.00 N ATOM 0 H LYS A 45 1.507 -11.970 0.557 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.241 -12.038 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.590 -13.582 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.316 -12.235 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.552 -12.047 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.539 -13.114 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.205 -14.943 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.915 -13.859 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.621 -15.385 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.252 -13.753 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.965 -15.359 5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.738 -14.235 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.104 -15.804 4.385 1.00 0.00 H new ATOM 664 N LEU A 46 -1.646 -9.957 2.656 1.00 0.00 N ATOM 665 CA LEU A 46 -1.932 -8.670 3.279 1.00 0.00 C ATOM 666 C LEU A 46 -2.323 -8.848 4.743 1.00 0.00 C ATOM 667 O LEU A 46 -3.298 -9.532 5.057 1.00 0.00 O ATOM 668 CB LEU A 46 -3.053 -7.953 2.524 1.00 0.00 C ATOM 669 CG LEU A 46 -2.667 -7.328 1.183 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.674 -6.195 1.389 1.00 0.00 C ATOM 671 CD2 LEU A 46 -2.089 -8.383 0.250 1.00 0.00 C ATOM 0 H LEU A 46 -2.462 -10.556 2.532 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.027 -8.064 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.860 -8.665 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.452 -7.168 3.166 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.566 -6.917 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.411 -5.762 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.123 -5.428 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.776 -6.581 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.820 -7.921 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.201 -8.823 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.832 -9.162 0.077 1.00 0.00 H new ATOM 683 N HIS A 47 -1.558 -8.226 5.634 1.00 0.00 N ATOM 684 CA HIS A 47 -1.825 -8.314 7.065 1.00 0.00 C ATOM 685 C HIS A 47 -2.332 -6.980 7.606 1.00 0.00 C ATOM 686 O HIS A 47 -1.680 -5.947 7.448 1.00 0.00 O ATOM 687 CB HIS A 47 -0.563 -8.736 7.817 1.00 0.00 C ATOM 688 CG HIS A 47 -0.621 -8.462 9.288 1.00 0.00 C ATOM 689 ND1 HIS A 47 -0.875 -9.440 10.227 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.456 -7.311 9.981 1.00 0.00 C ATOM 691 CE1 HIS A 47 -0.864 -8.902 11.433 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.612 -7.611 11.312 1.00 0.00 N ATOM 0 H HIS A 47 -0.748 -7.656 5.390 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.598 -9.067 7.219 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.397 -9.802 7.661 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.294 -8.214 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -0.242 -6.338 9.565 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.032 -9.428 12.361 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.544 -6.945 12.082 1.00 0.00 H new ATOM 701 N PHE A 48 -3.497 -7.010 8.244 1.00 0.00 N ATOM 702 CA PHE A 48 -4.092 -5.803 8.806 1.00 0.00 C ATOM 703 C PHE A 48 -3.307 -5.327 10.026 1.00 0.00 C ATOM 704 O PHE A 48 -2.895 -6.130 10.863 1.00 0.00 O ATOM 705 CB PHE A 48 -5.550 -6.059 9.192 1.00 0.00 C ATOM 706 CG PHE A 48 -6.522 -5.775 8.083 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.771 -4.473 7.678 1.00 0.00 C ATOM 708 CD2 PHE A 48 -7.187 -6.810 7.445 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.665 -4.210 6.658 1.00 0.00 C ATOM 710 CE2 PHE A 48 -8.083 -6.552 6.424 1.00 0.00 C ATOM 711 CZ PHE A 48 -8.321 -5.250 6.030 1.00 0.00 C ATOM 0 H PHE A 48 -4.048 -7.857 8.385 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.057 -5.023 8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.658 -7.098 9.502 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.803 -5.441 10.054 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.261 -3.655 8.165 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.003 -7.830 7.749 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.851 -3.191 6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.596 -7.367 5.935 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.019 -5.046 5.232 1.00 0.00 H new ATOM 721 N ASP A 49 -3.104 -4.018 10.117 1.00 0.00 N ATOM 722 CA ASP A 49 -2.370 -3.434 11.234 1.00 0.00 C ATOM 723 C ASP A 49 -3.154 -3.578 12.535 1.00 0.00 C ATOM 724 O ASP A 49 -4.234 -3.007 12.686 1.00 0.00 O ATOM 725 CB ASP A 49 -2.074 -1.959 10.962 1.00 0.00 C ATOM 726 CG ASP A 49 -1.177 -1.344 12.018 1.00 0.00 C ATOM 727 OD1 ASP A 49 -1.637 -1.186 13.168 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.015 -1.020 11.694 1.00 0.00 O ATOM 0 H ASP A 49 -3.437 -3.341 9.431 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.428 -3.972 11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.600 -1.861 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.012 -1.405 10.919 1.00 0.00 H new ATOM 733 N GLY A 50 -2.603 -4.344 13.471 1.00 0.00 N ATOM 734 CA GLY A 50 -3.265 -4.550 14.746 1.00 0.00 C ATOM 735 C GLY A 50 -4.109 -5.809 14.765 1.00 0.00 C ATOM 736 O GLY A 50 -4.141 -6.528 15.763 1.00 0.00 O ATOM 0 H GLY A 50 -1.710 -4.826 13.369 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.516 -4.607 15.536 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.897 -3.690 14.967 1.00 0.00 H new ATOM 740 N TYR A 51 -4.796 -6.075 13.659 1.00 0.00 N ATOM 741 CA TYR A 51 -5.647 -7.254 13.554 1.00 0.00 C ATOM 742 C TYR A 51 -4.813 -8.532 13.563 1.00 0.00 C ATOM 743 O TYR A 51 -3.586 -8.485 13.653 1.00 0.00 O ATOM 744 CB TYR A 51 -6.488 -7.190 12.278 1.00 0.00 C ATOM 745 CG TYR A 51 -7.645 -6.219 12.363 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.424 -4.858 12.533 1.00 0.00 C ATOM 747 CD2 TYR A 51 -8.958 -6.664 12.272 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.478 -3.968 12.612 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.018 -5.781 12.348 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.773 -4.434 12.519 1.00 0.00 C ATOM 751 OH TYR A 51 -10.825 -3.551 12.596 1.00 0.00 O ATOM 0 H TYR A 51 -4.780 -5.490 12.823 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.311 -7.269 14.419 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.846 -6.906 11.444 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.875 -8.185 12.058 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.411 -4.489 12.605 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.153 -7.718 12.140 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.289 -2.913 12.746 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.033 -6.143 12.274 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.670 -4.041 12.512 1.00 0.00 H new ATOM 761 N SER A 52 -5.489 -9.672 13.468 1.00 0.00 N ATOM 762 CA SER A 52 -4.812 -10.964 13.468 1.00 0.00 C ATOM 763 C SER A 52 -4.535 -11.432 12.042 1.00 0.00 C ATOM 764 O SER A 52 -5.183 -10.988 11.094 1.00 0.00 O ATOM 765 CB SER A 52 -5.656 -12.006 14.204 1.00 0.00 C ATOM 766 OG SER A 52 -5.803 -11.668 15.573 1.00 0.00 O ATOM 0 H SER A 52 -6.504 -9.728 13.390 1.00 0.00 H new ATOM 0 HA SER A 52 -3.860 -10.847 13.985 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.638 -12.079 13.737 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.187 -12.986 14.116 1.00 0.00 H new ATOM 0 HG SER A 52 -6.348 -12.348 16.021 1.00 0.00 H new ATOM 772 N ASP A 53 -3.568 -12.332 11.900 1.00 0.00 N ATOM 773 CA ASP A 53 -3.205 -12.863 10.591 1.00 0.00 C ATOM 774 C ASP A 53 -4.404 -13.530 9.923 1.00 0.00 C ATOM 775 O ASP A 53 -4.565 -13.462 8.704 1.00 0.00 O ATOM 776 CB ASP A 53 -2.057 -13.864 10.723 1.00 0.00 C ATOM 777 CG ASP A 53 -1.573 -14.372 9.379 1.00 0.00 C ATOM 778 OD1 ASP A 53 -2.142 -15.365 8.880 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.625 -13.775 8.826 1.00 0.00 O ATOM 0 H ASP A 53 -3.022 -12.709 12.675 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.881 -12.031 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.227 -13.393 11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.383 -14.708 11.331 1.00 0.00 H new ATOM 784 N CYS A 54 -5.240 -14.175 10.729 1.00 0.00 N ATOM 785 CA CYS A 54 -6.423 -14.857 10.216 1.00 0.00 C ATOM 786 C CYS A 54 -7.183 -13.966 9.239 1.00 0.00 C ATOM 787 O CYS A 54 -7.675 -14.432 8.211 1.00 0.00 O ATOM 788 CB CYS A 54 -7.340 -15.269 11.369 1.00 0.00 C ATOM 789 SG CYS A 54 -6.790 -16.745 12.257 1.00 0.00 S ATOM 0 H CYS A 54 -5.121 -14.240 11.740 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.095 -15.751 9.685 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.415 -14.441 12.074 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.342 -15.446 10.977 1.00 0.00 H new ATOM 0 HG CYS A 54 -7.628 -17.013 13.214 1.00 0.00 H new ATOM 795 N TYR A 55 -7.277 -12.682 9.568 1.00 0.00 N ATOM 796 CA TYR A 55 -7.981 -11.726 8.722 1.00 0.00 C ATOM 797 C TYR A 55 -7.059 -11.176 7.637 1.00 0.00 C ATOM 798 O TYR A 55 -7.123 -9.996 7.293 1.00 0.00 O ATOM 799 CB TYR A 55 -8.536 -10.578 9.566 1.00 0.00 C ATOM 800 CG TYR A 55 -9.269 -11.037 10.806 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.559 -11.546 10.725 1.00 0.00 C ATOM 802 CD2 TYR A 55 -8.671 -10.963 12.058 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.233 -11.966 11.856 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.337 -11.382 13.193 1.00 0.00 C ATOM 805 CZ TYR A 55 -10.618 -11.882 13.087 1.00 0.00 C ATOM 806 OH TYR A 55 -11.285 -12.301 14.216 1.00 0.00 O ATOM 0 H TYR A 55 -6.874 -12.280 10.414 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.809 -12.247 8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.715 -9.925 9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.213 -9.982 8.954 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.043 -11.615 9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.668 -10.571 12.145 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.236 -12.358 11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.857 -11.318 14.159 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.711 -12.175 15.000 1.00 0.00 H new ATOM 816 N ASP A 56 -6.204 -12.040 7.103 1.00 0.00 N ATOM 817 CA ASP A 56 -5.269 -11.643 6.056 1.00 0.00 C ATOM 818 C ASP A 56 -5.667 -12.250 4.714 1.00 0.00 C ATOM 819 O ASP A 56 -6.022 -13.426 4.634 1.00 0.00 O ATOM 820 CB ASP A 56 -3.848 -12.072 6.423 1.00 0.00 C ATOM 821 CG ASP A 56 -3.329 -11.362 7.657 1.00 0.00 C ATOM 822 OD1 ASP A 56 -4.154 -10.809 8.415 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.098 -11.359 7.866 1.00 0.00 O ATOM 0 H ASP A 56 -6.138 -13.020 7.377 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.300 -10.557 5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.829 -13.149 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.182 -11.869 5.584 1.00 0.00 H new ATOM 828 N PHE A 57 -5.605 -11.440 3.663 1.00 0.00 N ATOM 829 CA PHE A 57 -5.960 -11.896 2.324 1.00 0.00 C ATOM 830 C PHE A 57 -4.824 -11.632 1.340 1.00 0.00 C ATOM 831 O PHE A 57 -3.929 -10.832 1.610 1.00 0.00 O ATOM 832 CB PHE A 57 -7.236 -11.199 1.847 1.00 0.00 C ATOM 833 CG PHE A 57 -7.171 -9.701 1.939 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.531 -8.960 0.959 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.749 -9.034 3.007 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.470 -7.582 1.040 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.692 -7.656 3.094 1.00 0.00 C ATOM 838 CZ PHE A 57 -7.050 -6.929 2.110 1.00 0.00 C ATOM 0 H PHE A 57 -5.312 -10.464 3.712 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.136 -12.971 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.431 -11.483 0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.078 -11.555 2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.074 -9.466 0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.250 -9.597 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.970 -7.016 0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.149 -7.148 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.002 -5.852 2.177 1.00 0.00 H new ATOM 848 N TRP A 58 -4.869 -12.311 0.200 1.00 0.00 N ATOM 849 CA TRP A 58 -3.843 -12.151 -0.825 1.00 0.00 C ATOM 850 C TRP A 58 -4.380 -11.364 -2.015 1.00 0.00 C ATOM 851 O TRP A 58 -5.389 -11.737 -2.614 1.00 0.00 O ATOM 852 CB TRP A 58 -3.339 -13.518 -1.289 1.00 0.00 C ATOM 853 CG TRP A 58 -2.613 -14.278 -0.219 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.117 -14.682 0.984 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.253 -14.721 -0.256 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.152 -15.351 1.697 1.00 0.00 N ATOM 857 CE2 TRP A 58 -0.999 -15.389 0.958 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.224 -14.622 -1.197 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.240 -15.951 1.254 1.00 0.00 C ATOM 860 CZ3 TRP A 58 1.005 -15.180 -0.902 1.00 0.00 C ATOM 861 CH2 TRP A 58 1.229 -15.839 0.314 1.00 0.00 C ATOM 0 H TRP A 58 -5.604 -12.977 -0.038 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.014 -11.594 -0.389 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.185 -14.111 -1.635 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.675 -13.382 -2.142 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.126 -14.502 1.325 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.274 -15.754 2.626 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.387 -14.118 -2.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.415 -16.457 2.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.807 -15.107 -1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.200 -16.267 0.514 1.00 0.00 H new ATOM 872 N VAL A 59 -3.701 -10.272 -2.353 1.00 0.00 N ATOM 873 CA VAL A 59 -4.110 -9.433 -3.472 1.00 0.00 C ATOM 874 C VAL A 59 -3.206 -9.649 -4.681 1.00 0.00 C ATOM 875 O VAL A 59 -2.273 -10.450 -4.635 1.00 0.00 O ATOM 876 CB VAL A 59 -4.091 -7.940 -3.091 1.00 0.00 C ATOM 877 CG1 VAL A 59 -4.829 -7.714 -1.781 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.660 -7.432 -3.001 1.00 0.00 C ATOM 0 H VAL A 59 -2.865 -9.948 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.129 -9.722 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.604 -7.377 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.805 -6.654 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.864 -8.039 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.347 -8.287 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.665 -6.376 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.120 -7.998 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.168 -7.558 -3.966 1.00 0.00 H new ATOM 888 N ASN A 60 -3.489 -8.929 -5.761 1.00 0.00 N ATOM 889 CA ASN A 60 -2.701 -9.043 -6.983 1.00 0.00 C ATOM 890 C ASN A 60 -1.449 -8.174 -6.905 1.00 0.00 C ATOM 891 O ASN A 60 -1.523 -6.987 -6.589 1.00 0.00 O ATOM 892 CB ASN A 60 -3.541 -8.638 -8.196 1.00 0.00 C ATOM 893 CG ASN A 60 -4.780 -9.499 -8.354 1.00 0.00 C ATOM 894 OD1 ASN A 60 -5.552 -9.674 -7.411 1.00 0.00 O ATOM 895 ND2 ASN A 60 -4.975 -10.040 -9.551 1.00 0.00 N ATOM 0 H ASN A 60 -4.258 -8.261 -5.815 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.394 -10.083 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.838 -7.594 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.933 -8.713 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.791 -10.628 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.308 -9.867 -10.303 1.00 0.00 H new ATOM 902 N ALA A 61 -0.300 -8.775 -7.197 1.00 0.00 N ATOM 903 CA ALA A 61 0.968 -8.056 -7.163 1.00 0.00 C ATOM 904 C ALA A 61 0.868 -6.731 -7.910 1.00 0.00 C ATOM 905 O ALA A 61 1.578 -5.775 -7.596 1.00 0.00 O ATOM 906 CB ALA A 61 2.077 -8.915 -7.753 1.00 0.00 C ATOM 0 H ALA A 61 -0.221 -9.757 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 61 1.207 -7.838 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.018 -8.366 -7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.173 -9.833 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.835 -9.162 -8.787 1.00 0.00 H new ATOM 912 N ASP A 62 -0.016 -6.681 -8.901 1.00 0.00 N ATOM 913 CA ASP A 62 -0.209 -5.472 -9.693 1.00 0.00 C ATOM 914 C ASP A 62 -1.626 -4.932 -9.524 1.00 0.00 C ATOM 915 O ASP A 62 -2.263 -4.520 -10.493 1.00 0.00 O ATOM 916 CB ASP A 62 0.070 -5.754 -11.170 1.00 0.00 C ATOM 917 CG ASP A 62 0.509 -4.514 -11.924 1.00 0.00 C ATOM 918 OD1 ASP A 62 -0.258 -3.528 -11.940 1.00 0.00 O ATOM 919 OD2 ASP A 62 1.618 -4.529 -12.497 1.00 0.00 O ATOM 0 H ASP A 62 -0.610 -7.464 -9.175 1.00 0.00 H new ATOM 0 HA ASP A 62 0.493 -4.718 -9.337 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.843 -6.518 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.828 -6.159 -11.635 1.00 0.00 H new ATOM 924 N ALA A 63 -2.113 -4.938 -8.288 1.00 0.00 N ATOM 925 CA ALA A 63 -3.454 -4.449 -7.993 1.00 0.00 C ATOM 926 C ALA A 63 -3.484 -2.925 -7.946 1.00 0.00 C ATOM 927 O ALA A 63 -2.477 -2.283 -7.642 1.00 0.00 O ATOM 928 CB ALA A 63 -3.949 -5.029 -6.676 1.00 0.00 C ATOM 0 H ALA A 63 -1.599 -5.276 -7.475 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.118 -4.775 -8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.952 -4.655 -6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.974 -6.117 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.277 -4.731 -5.872 1.00 0.00 H new ATOM 934 N LEU A 64 -4.643 -2.351 -8.248 1.00 0.00 N ATOM 935 CA LEU A 64 -4.804 -0.901 -8.241 1.00 0.00 C ATOM 936 C LEU A 64 -5.240 -0.408 -6.865 1.00 0.00 C ATOM 937 O LEU A 64 -4.804 0.648 -6.406 1.00 0.00 O ATOM 938 CB LEU A 64 -5.828 -0.477 -9.295 1.00 0.00 C ATOM 939 CG LEU A 64 -5.581 -0.988 -10.715 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.758 -0.650 -11.616 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.292 -0.403 -11.275 1.00 0.00 C ATOM 0 H LEU A 64 -5.486 -2.867 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.840 -0.452 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.812 -0.818 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.861 0.612 -9.323 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.478 -2.073 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.564 -1.021 -12.622 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.662 -1.117 -11.225 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.893 0.431 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.132 -0.777 -12.286 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.366 0.684 -11.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.454 -0.697 -10.642 1.00 0.00 H new ATOM 953 N ASP A 65 -6.100 -1.181 -6.211 1.00 0.00 N ATOM 954 CA ASP A 65 -6.592 -0.825 -4.885 1.00 0.00 C ATOM 955 C ASP A 65 -5.441 -0.422 -3.968 1.00 0.00 C ATOM 956 O ASP A 65 -5.467 0.647 -3.357 1.00 0.00 O ATOM 957 CB ASP A 65 -7.362 -1.996 -4.272 1.00 0.00 C ATOM 958 CG ASP A 65 -6.617 -3.310 -4.401 1.00 0.00 C ATOM 959 OD1 ASP A 65 -5.754 -3.588 -3.543 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.897 -4.060 -5.360 1.00 0.00 O ATOM 0 H ASP A 65 -6.471 -2.058 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.264 0.027 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.551 -1.791 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.333 -2.083 -4.759 1.00 0.00 H new ATOM 965 N ILE A 66 -4.434 -1.284 -3.877 1.00 0.00 N ATOM 966 CA ILE A 66 -3.275 -1.017 -3.035 1.00 0.00 C ATOM 967 C ILE A 66 -2.520 0.218 -3.514 1.00 0.00 C ATOM 968 O ILE A 66 -2.467 0.500 -4.712 1.00 0.00 O ATOM 969 CB ILE A 66 -2.310 -2.217 -3.008 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.678 -2.422 -4.387 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.041 -3.475 -2.563 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.605 -3.487 -4.407 1.00 0.00 C ATOM 0 H ILE A 66 -4.398 -2.173 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.651 -0.841 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.515 -2.009 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.458 -2.690 -5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.249 -1.479 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.346 -4.314 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.448 -3.325 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.853 -3.689 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.202 -3.578 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.195 -3.211 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.034 -4.441 -4.100 1.00 0.00 H new ATOM 984 N HIS A 67 -1.934 0.950 -2.572 1.00 0.00 N ATOM 985 CA HIS A 67 -1.178 2.154 -2.898 1.00 0.00 C ATOM 986 C HIS A 67 -0.015 2.344 -1.930 1.00 0.00 C ATOM 987 O HIS A 67 -0.053 1.904 -0.781 1.00 0.00 O ATOM 988 CB HIS A 67 -2.092 3.380 -2.864 1.00 0.00 C ATOM 989 CG HIS A 67 -2.946 3.524 -4.085 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.428 3.617 -5.360 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.291 3.590 -4.222 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.418 3.736 -6.227 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.559 3.722 -5.562 1.00 0.00 N ATOM 0 H HIS A 67 -1.968 0.730 -1.577 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.774 2.039 -3.904 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.735 3.319 -1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.481 4.275 -2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.018 3.547 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.312 3.829 -7.298 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.488 3.797 -5.976 1.00 0.00 H new ATOM 1002 N PRO A 68 1.046 3.015 -2.403 1.00 0.00 N ATOM 1003 CA PRO A 68 2.240 3.279 -1.596 1.00 0.00 C ATOM 1004 C PRO A 68 1.977 4.286 -0.482 1.00 0.00 C ATOM 1005 O PRO A 68 1.123 5.163 -0.614 1.00 0.00 O ATOM 1006 CB PRO A 68 3.235 3.851 -2.609 1.00 0.00 C ATOM 1007 CG PRO A 68 2.386 4.437 -3.684 1.00 0.00 C ATOM 1008 CD PRO A 68 1.160 3.569 -3.763 1.00 0.00 C ATOM 0 HA PRO A 68 2.595 2.381 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.874 4.607 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.891 3.074 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.120 5.468 -3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.916 4.451 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.277 4.145 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.272 2.782 -4.509 1.00 0.00 H new ATOM 1016 N VAL A 69 2.715 4.156 0.615 1.00 0.00 N ATOM 1017 CA VAL A 69 2.562 5.056 1.752 1.00 0.00 C ATOM 1018 C VAL A 69 2.513 6.511 1.298 1.00 0.00 C ATOM 1019 O VAL A 69 3.165 6.891 0.326 1.00 0.00 O ATOM 1020 CB VAL A 69 3.710 4.883 2.764 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.509 5.799 3.962 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.819 3.431 3.204 1.00 0.00 C ATOM 0 H VAL A 69 3.426 3.435 0.741 1.00 0.00 H new ATOM 0 HA VAL A 69 1.620 4.797 2.236 1.00 0.00 H new ATOM 0 HB VAL A 69 4.645 5.162 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.330 5.663 4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.486 6.836 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.566 5.555 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.635 3.328 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.885 3.122 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.015 2.802 2.336 1.00 0.00 H new ATOM 1032 N GLY A 70 1.736 7.321 2.010 1.00 0.00 N ATOM 1033 CA GLY A 70 1.617 8.726 1.665 1.00 0.00 C ATOM 1034 C GLY A 70 0.786 8.948 0.417 1.00 0.00 C ATOM 1035 O GLY A 70 1.124 9.785 -0.420 1.00 0.00 O ATOM 0 H GLY A 70 1.187 7.030 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.166 9.265 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.612 9.146 1.515 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.301 8.197 0.291 1.00 0.00 N ATOM 1040 CA TRP A 71 -1.182 8.315 -0.866 1.00 0.00 C ATOM 1041 C TRP A 71 -2.338 9.265 -0.575 1.00 0.00 C ATOM 1042 O TRP A 71 -2.745 10.045 -1.438 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.722 6.940 -1.264 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.497 6.955 -2.547 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -2.000 6.775 -3.806 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.905 7.164 -2.695 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -3.015 6.859 -4.728 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.194 7.096 -4.072 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.951 7.399 -1.799 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.484 7.256 -4.571 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.231 7.558 -2.295 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.489 7.485 -3.671 1.00 0.00 C ATOM 0 H TRP A 71 -0.594 7.500 0.975 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.602 8.723 -1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.889 6.244 -1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.362 6.564 -0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.962 6.593 -4.042 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.908 6.761 -5.738 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.762 7.455 -0.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.684 7.201 -5.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.046 7.742 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.500 7.612 -4.028 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.863 9.196 0.643 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.974 10.050 1.046 1.00 0.00 C ATOM 1065 C CYS A 72 -3.673 11.514 0.739 1.00 0.00 C ATOM 1066 O CYS A 72 -4.563 12.272 0.356 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.261 9.878 2.539 1.00 0.00 C ATOM 1068 SG CYS A 72 -2.838 10.203 3.606 1.00 0.00 S ATOM 0 H CYS A 72 -2.537 8.557 1.369 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.855 9.752 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.074 10.547 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.610 8.861 2.716 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.180 10.034 4.849 1.00 0.00 H new ATOM 1074 N GLU A 73 -2.414 11.903 0.912 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.998 13.277 0.655 1.00 0.00 C ATOM 1076 C GLU A 73 -1.601 13.461 -0.807 1.00 0.00 C ATOM 1077 O GLU A 73 -1.916 14.479 -1.424 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.827 13.656 1.564 1.00 0.00 C ATOM 1079 CG GLU A 73 -0.434 15.121 1.471 1.00 0.00 C ATOM 1080 CD GLU A 73 0.756 15.463 2.347 1.00 0.00 C ATOM 1081 OE1 GLU A 73 1.903 15.299 1.881 1.00 0.00 O ATOM 1082 OE2 GLU A 73 0.540 15.895 3.498 1.00 0.00 O ATOM 0 H GLU A 73 -1.665 11.287 1.229 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.843 13.932 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.089 13.424 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.035 13.040 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.200 15.365 0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.283 15.740 1.760 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.908 12.469 -1.355 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.468 12.519 -2.745 1.00 0.00 C ATOM 1091 C LYS A 74 -1.647 12.771 -3.680 1.00 0.00 C ATOM 1092 O LYS A 74 -1.553 13.569 -4.613 1.00 0.00 O ATOM 1093 CB LYS A 74 0.230 11.212 -3.127 1.00 0.00 C ATOM 1094 CG LYS A 74 0.647 11.150 -4.587 1.00 0.00 C ATOM 1095 CD LYS A 74 0.890 9.719 -5.037 1.00 0.00 C ATOM 1096 CE LYS A 74 1.686 9.670 -6.332 1.00 0.00 C ATOM 1097 NZ LYS A 74 1.447 8.406 -7.082 1.00 0.00 N ATOM 0 H LYS A 74 -0.639 11.620 -0.858 1.00 0.00 H new ATOM 0 HA LYS A 74 0.237 13.344 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.112 11.084 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.437 10.377 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.128 11.601 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.554 11.737 -4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.427 9.178 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.065 9.213 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.415 10.520 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.749 9.765 -6.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.007 8.411 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.730 7.595 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.437 8.328 -7.317 1.00 0.00 H new ATOM 1111 N THR A 75 -2.757 12.086 -3.423 1.00 0.00 N ATOM 1112 CA THR A 75 -3.954 12.235 -4.241 1.00 0.00 C ATOM 1113 C THR A 75 -4.879 13.305 -3.672 1.00 0.00 C ATOM 1114 O THR A 75 -5.207 14.279 -4.347 1.00 0.00 O ATOM 1115 CB THR A 75 -4.728 10.908 -4.352 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.086 10.440 -3.047 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.895 9.853 -5.064 1.00 0.00 C ATOM 0 H THR A 75 -2.852 11.422 -2.654 1.00 0.00 H new ATOM 0 HA THR A 75 -3.622 12.537 -5.234 1.00 0.00 H new ATOM 0 HB THR A 75 -5.632 11.087 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.062 10.423 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.463 8.925 -5.130 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.649 10.200 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.976 9.677 -4.505 1.00 0.00 H new ATOM 1125 N GLY A 76 -5.296 13.116 -2.423 1.00 0.00 N ATOM 1126 CA GLY A 76 -6.180 14.073 -1.784 1.00 0.00 C ATOM 1127 C GLY A 76 -7.338 13.406 -1.069 1.00 0.00 C ATOM 1128 O GLY A 76 -8.441 13.950 -1.017 1.00 0.00 O ATOM 0 H GLY A 76 -5.037 12.318 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.611 14.668 -1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.569 14.761 -2.535 1.00 0.00 H new ATOM 1132 N HIS A 77 -7.088 12.222 -0.518 1.00 0.00 N ATOM 1133 CA HIS A 77 -8.120 11.479 0.196 1.00 0.00 C ATOM 1134 C HIS A 77 -7.761 11.333 1.672 1.00 0.00 C ATOM 1135 O HIS A 77 -6.763 11.884 2.137 1.00 0.00 O ATOM 1136 CB HIS A 77 -8.312 10.099 -0.433 1.00 0.00 C ATOM 1137 CG HIS A 77 -8.724 10.148 -1.872 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -7.974 10.769 -2.849 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -9.815 9.649 -2.499 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -8.586 10.650 -4.013 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -9.706 9.974 -3.828 1.00 0.00 N ATOM 0 H HIS A 77 -6.181 11.757 -0.552 1.00 0.00 H new ATOM 0 HA HIS A 77 -9.053 12.037 0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.381 9.538 -0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.066 9.552 0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.622 9.097 -2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.231 11.039 -4.956 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.380 9.733 -4.555 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.582 10.587 2.404 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.351 10.367 3.827 1.00 0.00 C ATOM 1152 C LYS A 78 -7.934 8.925 4.094 1.00 0.00 C ATOM 1153 O LYS A 78 -8.116 8.048 3.249 1.00 0.00 O ATOM 1154 CB LYS A 78 -9.613 10.701 4.626 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.693 9.637 4.529 1.00 0.00 C ATOM 1156 CD LYS A 78 -11.656 9.923 3.389 1.00 0.00 C ATOM 1157 CE LYS A 78 -12.830 10.773 3.850 1.00 0.00 C ATOM 1158 NZ LYS A 78 -13.630 10.089 4.904 1.00 0.00 N ATOM 0 H LYS A 78 -9.413 10.125 2.035 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.542 11.025 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.344 10.839 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.016 11.650 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.231 8.661 4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.244 9.589 5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.128 10.436 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.025 8.983 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.461 11.724 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.471 11.000 2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.628 10.055 4.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.275 9.121 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.546 10.613 5.798 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.374 8.685 5.275 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.932 7.348 5.655 1.00 0.00 C ATOM 1174 C LEU A 79 -7.548 6.928 6.986 1.00 0.00 C ATOM 1175 O LEU A 79 -7.673 7.736 7.906 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.406 7.301 5.748 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.815 6.097 6.483 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -5.128 4.810 5.736 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -3.313 6.263 6.657 1.00 0.00 C ATOM 0 H LEU A 79 -7.215 9.399 5.986 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.264 6.650 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.000 7.319 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.064 8.209 6.245 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.271 6.039 7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.700 3.964 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.208 4.685 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.701 4.857 4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.910 5.397 7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.840 6.347 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.111 7.164 7.236 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.929 5.658 7.081 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.530 5.130 8.301 1.00 0.00 C ATOM 1193 C HIS A 80 -7.492 4.391 9.141 1.00 0.00 C ATOM 1194 O HIS A 80 -6.847 3.447 8.686 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.688 4.192 7.960 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.814 4.868 7.241 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -12.135 4.730 7.614 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.812 5.692 6.168 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.896 5.439 6.799 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.117 6.033 5.913 1.00 0.00 N ATOM 0 H HIS A 80 -7.832 4.976 6.329 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.912 5.970 8.882 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.313 3.374 7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.069 3.749 8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.945 6.021 5.615 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.972 5.519 6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.434 6.646 5.161 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.326 4.831 10.398 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.367 4.226 11.328 1.00 0.00 C ATOM 1211 C PRO A 81 -6.790 2.828 11.768 1.00 0.00 C ATOM 1212 O PRO A 81 -7.954 2.443 11.661 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.374 5.187 12.519 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.708 5.847 12.465 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.061 5.952 11.007 1.00 0.00 C ATOM 0 HA PRO A 81 -5.385 4.096 10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.234 4.653 13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.568 5.917 12.444 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.454 5.264 13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.675 6.832 12.930 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.135 5.863 10.846 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.754 6.910 10.587 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.823 2.050 12.276 1.00 0.00 N ATOM 1224 CA PRO A 82 -6.072 0.683 12.744 1.00 0.00 C ATOM 1225 C PRO A 82 -6.906 0.650 14.021 1.00 0.00 C ATOM 1226 O PRO A 82 -7.518 1.648 14.401 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.667 0.137 13.009 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.837 1.344 13.283 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.413 2.444 12.434 1.00 0.00 C ATOM 0 HA PRO A 82 -6.640 0.101 12.018 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.662 -0.548 13.857 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.289 -0.417 12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.870 1.609 14.340 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.792 1.164 13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.319 3.416 12.918 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.906 2.517 11.472 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.924 -0.503 14.680 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.681 -0.667 15.916 1.00 0.00 C ATOM 1239 C LYS A 83 -7.115 0.218 17.021 1.00 0.00 C ATOM 1240 O LYS A 83 -5.909 0.231 17.264 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.661 -2.131 16.360 1.00 0.00 C ATOM 1242 CG LYS A 83 -6.422 -2.510 17.152 1.00 0.00 C ATOM 1243 CD LYS A 83 -6.612 -2.261 18.638 1.00 0.00 C ATOM 1244 CE LYS A 83 -5.679 -3.126 19.472 1.00 0.00 C ATOM 1245 NZ LYS A 83 -4.248 -2.789 19.233 1.00 0.00 N ATOM 0 H LYS A 83 -6.423 -1.339 14.379 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.711 -0.366 15.725 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.545 -2.330 16.967 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.728 -2.770 15.479 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.190 -3.562 16.985 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.569 -1.935 16.792 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.429 -1.209 18.858 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.646 -2.469 18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.911 -2.996 20.529 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.849 -4.176 19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.647 -3.365 19.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.006 -2.986 18.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.090 -1.781 19.434 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.995 0.957 17.691 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.564 1.834 18.764 1.00 0.00 C ATOM 1261 C GLY A 84 -6.566 2.875 18.296 1.00 0.00 C ATOM 1262 O GLY A 84 -5.608 3.188 19.004 1.00 0.00 O ATOM 0 H GLY A 84 -8.999 0.964 17.509 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.433 2.334 19.191 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.117 1.238 19.559 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.788 3.410 17.101 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.898 4.419 16.538 1.00 0.00 C ATOM 1268 C TYR A 85 -6.689 5.490 15.794 1.00 0.00 C ATOM 1269 O TYR A 85 -7.640 5.187 15.073 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.887 3.766 15.593 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.615 3.324 16.279 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.616 4.238 16.592 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.410 1.991 16.615 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.452 3.839 17.218 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.249 1.582 17.242 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.273 2.510 17.542 1.00 0.00 C ATOM 1277 OH TYR A 85 -0.115 2.106 18.166 1.00 0.00 O ATOM 0 H TYR A 85 -7.576 3.162 16.503 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.363 4.895 17.360 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.352 2.903 15.117 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.636 4.470 14.800 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.753 5.279 16.341 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.172 1.262 16.382 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.686 4.563 17.453 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.106 0.542 17.496 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.149 1.140 18.325 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.289 6.744 15.974 1.00 0.00 N ATOM 1288 CA LYS A 86 -6.957 7.862 15.319 1.00 0.00 C ATOM 1289 C LYS A 86 -6.184 8.310 14.083 1.00 0.00 C ATOM 1290 O LYS A 86 -4.978 8.090 13.981 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.107 9.034 16.292 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.155 10.047 15.867 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.560 9.566 16.189 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.162 8.785 15.031 1.00 0.00 C ATOM 1295 NZ LYS A 86 -11.642 8.936 14.970 1.00 0.00 N ATOM 0 H LYS A 86 -5.505 7.012 16.569 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.946 7.528 15.006 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.367 8.646 17.277 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.146 9.538 16.391 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.970 10.996 16.371 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.070 10.232 14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.535 8.937 17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.194 10.422 16.421 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.723 9.128 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.909 7.730 15.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.014 8.389 14.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.063 8.585 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.884 9.940 14.846 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.887 8.940 13.147 1.00 0.00 N ATOM 1310 CA GLU A 87 -6.265 9.419 11.918 1.00 0.00 C ATOM 1311 C GLU A 87 -5.345 10.604 12.200 1.00 0.00 C ATOM 1312 O GLU A 87 -4.392 10.852 11.462 1.00 0.00 O ATOM 1313 CB GLU A 87 -7.335 9.822 10.902 1.00 0.00 C ATOM 1314 CG GLU A 87 -8.429 10.700 11.485 1.00 0.00 C ATOM 1315 CD GLU A 87 -9.198 11.459 10.421 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -8.769 12.576 10.063 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -10.228 10.936 9.946 1.00 0.00 O ATOM 0 H GLU A 87 -7.887 9.130 13.216 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.668 8.607 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.859 10.350 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.787 8.921 10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.121 10.081 12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.986 11.410 12.184 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.638 11.331 13.274 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.838 12.490 13.652 1.00 0.00 C ATOM 1326 C GLU A 88 -3.708 12.087 14.596 1.00 0.00 C ATOM 1327 O GLU A 88 -2.643 12.702 14.603 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.718 13.550 14.317 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.214 13.151 15.697 1.00 0.00 C ATOM 1330 CD GLU A 88 -7.537 13.801 16.052 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -8.382 13.958 15.146 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -7.729 14.151 17.235 1.00 0.00 O ATOM 0 H GLU A 88 -6.422 11.138 13.897 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.400 12.908 12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.155 14.480 14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.576 13.752 13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.323 12.067 15.741 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.467 13.427 16.441 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.951 11.049 15.391 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.955 10.565 16.339 1.00 0.00 C ATOM 1341 C GLU A 89 -1.903 9.712 15.635 1.00 0.00 C ATOM 1342 O GLU A 89 -0.705 9.857 15.879 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.627 9.753 17.448 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.585 10.565 18.302 1.00 0.00 C ATOM 1345 CD GLU A 89 -5.098 9.791 19.501 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -4.424 8.826 19.916 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -6.174 10.150 20.024 1.00 0.00 O ATOM 0 H GLU A 89 -4.828 10.528 15.397 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.460 11.430 16.781 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.170 8.921 16.999 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.857 9.323 18.089 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.082 11.469 18.646 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.430 10.883 17.691 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.360 8.822 14.761 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.460 7.944 14.022 1.00 0.00 C ATOM 1356 C PHE A 90 -0.703 8.720 12.949 1.00 0.00 C ATOM 1357 O PHE A 90 -1.281 9.539 12.236 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.244 6.797 13.381 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.373 5.679 12.884 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.670 4.883 13.773 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.256 5.425 11.526 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.132 3.853 13.319 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.456 4.397 11.067 1.00 0.00 C ATOM 1364 CZ PHE A 90 0.240 3.611 11.964 1.00 0.00 C ATOM 0 H PHE A 90 -3.348 8.689 14.547 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.737 7.531 14.725 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.951 6.400 14.109 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.829 7.188 12.549 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.749 5.069 14.834 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.796 6.038 10.819 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.673 3.238 14.023 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.375 4.208 10.007 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.868 2.808 11.606 1.00 0.00 H new ATOM 1374 N ASN A 91 0.595 8.456 12.841 1.00 0.00 N ATOM 1375 CA ASN A 91 1.433 9.130 11.856 1.00 0.00 C ATOM 1376 C ASN A 91 2.366 8.139 11.166 1.00 0.00 C ATOM 1377 O ASN A 91 3.092 7.393 11.823 1.00 0.00 O ATOM 1378 CB ASN A 91 2.251 10.237 12.524 1.00 0.00 C ATOM 1379 CG ASN A 91 1.441 11.498 12.751 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.655 11.582 13.695 1.00 0.00 O ATOM 1381 ND2 ASN A 91 1.628 12.486 11.884 1.00 0.00 N ATOM 0 H ASN A 91 1.089 7.780 13.423 1.00 0.00 H new ATOM 0 HA ASN A 91 0.781 9.573 11.103 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.633 9.877 13.479 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.116 10.471 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.110 13.359 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.290 12.372 11.116 1.00 0.00 H new ATOM 1388 N TRP A 92 2.340 8.137 9.838 1.00 0.00 N ATOM 1389 CA TRP A 92 3.183 7.239 9.058 1.00 0.00 C ATOM 1390 C TRP A 92 4.652 7.411 9.430 1.00 0.00 C ATOM 1391 O TRP A 92 5.255 6.525 10.034 1.00 0.00 O ATOM 1392 CB TRP A 92 2.990 7.494 7.562 1.00 0.00 C ATOM 1393 CG TRP A 92 1.899 6.665 6.954 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.702 7.111 6.473 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.906 5.245 6.765 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.036 6.055 5.996 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.681 4.900 6.162 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.829 4.234 7.044 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.357 3.585 5.836 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.506 2.930 6.720 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.279 2.615 6.121 1.00 0.00 C ATOM 0 H TRP A 92 1.744 8.747 9.279 1.00 0.00 H new ATOM 0 HA TRP A 92 2.887 6.215 9.286 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.764 8.549 7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.926 7.288 7.042 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.382 8.143 6.468 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.967 6.121 5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.778 4.467 7.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.588 3.340 5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.211 2.140 6.932 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.057 1.586 5.879 1.00 0.00 H new ATOM 1412 N GLN A 93 5.220 8.556 9.065 1.00 0.00 N ATOM 1413 CA GLN A 93 6.619 8.842 9.361 1.00 0.00 C ATOM 1414 C GLN A 93 6.974 8.411 10.781 1.00 0.00 C ATOM 1415 O GLN A 93 7.992 7.756 11.006 1.00 0.00 O ATOM 1416 CB GLN A 93 6.905 10.334 9.182 1.00 0.00 C ATOM 1417 CG GLN A 93 5.898 11.235 9.878 1.00 0.00 C ATOM 1418 CD GLN A 93 6.010 12.682 9.442 1.00 0.00 C ATOM 1419 OE1 GLN A 93 6.320 13.563 10.245 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.758 12.937 8.163 1.00 0.00 N ATOM 0 H GLN A 93 4.734 9.300 8.564 1.00 0.00 H new ATOM 0 HA GLN A 93 7.235 8.275 8.664 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.902 10.553 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.915 10.568 8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.890 10.874 9.672 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.044 11.172 10.956 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.504 12.177 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.818 13.893 7.812 1.00 0.00 H new ATOM 1429 N THR A 94 6.128 8.784 11.736 1.00 0.00 N ATOM 1430 CA THR A 94 6.353 8.438 13.134 1.00 0.00 C ATOM 1431 C THR A 94 6.334 6.927 13.336 1.00 0.00 C ATOM 1432 O THR A 94 7.106 6.387 14.130 1.00 0.00 O ATOM 1433 CB THR A 94 5.294 9.080 14.050 1.00 0.00 C ATOM 1434 OG1 THR A 94 5.287 10.501 13.869 1.00 0.00 O ATOM 1435 CG2 THR A 94 5.569 8.750 15.509 1.00 0.00 C ATOM 0 H THR A 94 5.281 9.326 11.567 1.00 0.00 H new ATOM 0 HA THR A 94 7.336 8.826 13.401 1.00 0.00 H new ATOM 0 HB THR A 94 4.318 8.675 13.781 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.610 10.902 14.453 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.808 9.214 16.137 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.545 7.669 15.648 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.552 9.130 15.789 1.00 0.00 H new ATOM 1443 N TYR A 95 5.450 6.249 12.614 1.00 0.00 N ATOM 1444 CA TYR A 95 5.330 4.800 12.715 1.00 0.00 C ATOM 1445 C TYR A 95 6.451 4.105 11.948 1.00 0.00 C ATOM 1446 O TYR A 95 6.807 2.964 12.244 1.00 0.00 O ATOM 1447 CB TYR A 95 3.971 4.341 12.182 1.00 0.00 C ATOM 1448 CG TYR A 95 3.808 2.838 12.156 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.290 2.048 13.192 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.170 2.208 11.094 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.143 0.675 13.172 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.017 0.835 11.066 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.506 0.073 12.107 1.00 0.00 C ATOM 1454 OH TYR A 95 3.356 -1.295 12.083 1.00 0.00 O ATOM 0 H TYR A 95 4.805 6.680 11.952 1.00 0.00 H new ATOM 0 HA TYR A 95 5.411 4.527 13.767 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.183 4.773 12.799 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.835 4.730 11.173 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.789 2.516 14.028 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.787 2.802 10.277 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.525 0.076 13.986 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.517 0.361 10.234 1.00 0.00 H new ATOM 0 HH TYR A 95 2.885 -1.558 11.265 1.00 0.00 H new ATOM 1464 N LEU A 96 7.003 4.802 10.961 1.00 0.00 N ATOM 1465 CA LEU A 96 8.085 4.254 10.150 1.00 0.00 C ATOM 1466 C LEU A 96 9.439 4.505 10.807 1.00 0.00 C ATOM 1467 O LEU A 96 10.440 3.887 10.447 1.00 0.00 O ATOM 1468 CB LEU A 96 8.063 4.871 8.751 1.00 0.00 C ATOM 1469 CG LEU A 96 6.731 4.792 8.004 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.589 5.960 7.040 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.613 3.469 7.262 1.00 0.00 C ATOM 0 H LEU A 96 6.720 5.747 10.703 1.00 0.00 H new ATOM 0 HA LEU A 96 7.935 3.177 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.349 5.920 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.825 4.379 8.147 1.00 0.00 H new ATOM 0 HG LEU A 96 5.924 4.850 8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.635 5.887 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.627 6.897 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.403 5.934 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.659 3.431 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.427 3.381 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.668 2.646 7.975 1.00 0.00 H new ATOM 1483 N LYS A 97 9.461 5.415 11.775 1.00 0.00 N ATOM 1484 CA LYS A 97 10.690 5.747 12.486 1.00 0.00 C ATOM 1485 C LYS A 97 10.813 4.932 13.770 1.00 0.00 C ATOM 1486 O LYS A 97 11.910 4.538 14.166 1.00 0.00 O ATOM 1487 CB LYS A 97 10.728 7.241 12.812 1.00 0.00 C ATOM 1488 CG LYS A 97 10.081 7.590 14.141 1.00 0.00 C ATOM 1489 CD LYS A 97 11.078 7.508 15.285 1.00 0.00 C ATOM 1490 CE LYS A 97 11.877 8.795 15.422 1.00 0.00 C ATOM 1491 NZ LYS A 97 13.066 8.620 16.301 1.00 0.00 N ATOM 0 H LYS A 97 8.641 5.936 12.085 1.00 0.00 H new ATOM 0 HA LYS A 97 11.532 5.502 11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.765 7.576 12.823 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.225 7.791 12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.665 8.596 14.091 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.250 6.911 14.332 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.549 7.306 16.216 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.758 6.673 15.117 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.201 9.128 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.237 9.578 15.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.583 9.520 16.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.756 8.327 17.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.690 7.891 15.900 1.00 0.00 H new ATOM 1505 N THR A 98 9.679 4.681 14.417 1.00 0.00 N ATOM 1506 CA THR A 98 9.659 3.914 15.655 1.00 0.00 C ATOM 1507 C THR A 98 9.936 2.438 15.392 1.00 0.00 C ATOM 1508 O THR A 98 10.611 1.773 16.179 1.00 0.00 O ATOM 1509 CB THR A 98 8.306 4.049 16.379 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.433 3.622 17.740 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.234 3.225 15.681 1.00 0.00 C ATOM 0 H THR A 98 8.762 4.998 14.103 1.00 0.00 H new ATOM 0 HA THR A 98 10.445 4.321 16.291 1.00 0.00 H new ATOM 0 HB THR A 98 8.009 5.098 16.354 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.569 3.713 18.193 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.288 3.336 16.210 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.119 3.573 14.654 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.527 2.175 15.678 1.00 0.00 H new ATOM 1519 N CYS A 99 9.412 1.932 14.281 1.00 0.00 N ATOM 1520 CA CYS A 99 9.603 0.533 13.914 1.00 0.00 C ATOM 1521 C CYS A 99 10.707 0.391 12.871 1.00 0.00 C ATOM 1522 O CYS A 99 10.782 -0.614 12.164 1.00 0.00 O ATOM 1523 CB CYS A 99 8.298 -0.058 13.378 1.00 0.00 C ATOM 1524 SG CYS A 99 7.239 -0.783 14.651 1.00 0.00 S ATOM 0 H CYS A 99 8.852 2.469 13.619 1.00 0.00 H new ATOM 0 HA CYS A 99 9.900 -0.015 14.808 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.743 0.724 12.861 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.535 -0.823 12.638 1.00 0.00 H new ATOM 0 HG CYS A 99 6.159 -1.254 14.101 1.00 0.00 H new ATOM 1530 N LYS A 100 11.561 1.404 12.779 1.00 0.00 N ATOM 1531 CA LYS A 100 12.661 1.394 11.822 1.00 0.00 C ATOM 1532 C LYS A 100 12.237 0.737 10.512 1.00 0.00 C ATOM 1533 O LYS A 100 12.956 -0.098 9.964 1.00 0.00 O ATOM 1534 CB LYS A 100 13.867 0.656 12.408 1.00 0.00 C ATOM 1535 CG LYS A 100 14.238 1.112 13.808 1.00 0.00 C ATOM 1536 CD LYS A 100 13.400 0.410 14.864 1.00 0.00 C ATOM 1537 CE LYS A 100 14.068 -0.869 15.345 1.00 0.00 C ATOM 1538 NZ LYS A 100 13.674 -1.210 16.740 1.00 0.00 N ATOM 0 H LYS A 100 11.513 2.244 13.356 1.00 0.00 H new ATOM 0 HA LYS A 100 12.940 2.427 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 100 13.654 -0.413 12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.724 0.798 11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.294 0.912 13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.099 2.190 13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.242 1.080 15.709 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.417 0.177 14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.800 -1.691 14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.151 -0.756 15.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.150 -2.088 17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.952 -0.437 17.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.644 -1.343 16.787 1.00 0.00 H new ATOM 1552 N ALA A 101 11.065 1.120 10.016 1.00 0.00 N ATOM 1553 CA ALA A 101 10.547 0.571 8.769 1.00 0.00 C ATOM 1554 C ALA A 101 10.603 1.604 7.649 1.00 0.00 C ATOM 1555 O ALA A 101 10.494 2.805 7.895 1.00 0.00 O ATOM 1556 CB ALA A 101 9.122 0.075 8.962 1.00 0.00 C ATOM 0 H ALA A 101 10.456 1.808 10.459 1.00 0.00 H new ATOM 0 HA ALA A 101 11.177 -0.271 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.748 -0.332 8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.108 -0.702 9.726 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.488 0.904 9.276 1.00 0.00 H new ATOM 1562 N GLN A 102 10.774 1.129 6.419 1.00 0.00 N ATOM 1563 CA GLN A 102 10.845 2.013 5.262 1.00 0.00 C ATOM 1564 C GLN A 102 9.636 1.819 4.353 1.00 0.00 C ATOM 1565 O GLN A 102 9.446 0.747 3.778 1.00 0.00 O ATOM 1566 CB GLN A 102 12.134 1.758 4.478 1.00 0.00 C ATOM 1567 CG GLN A 102 12.156 0.418 3.762 1.00 0.00 C ATOM 1568 CD GLN A 102 13.544 0.028 3.294 1.00 0.00 C ATOM 1569 OE1 GLN A 102 14.000 0.463 2.236 1.00 0.00 O ATOM 1570 NE2 GLN A 102 14.225 -0.796 4.081 1.00 0.00 N ATOM 0 H GLN A 102 10.866 0.137 6.199 1.00 0.00 H new ATOM 0 HA GLN A 102 10.844 3.042 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.267 2.554 3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.981 1.809 5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.772 -0.353 4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.485 0.458 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.809 -1.132 4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.165 -1.093 3.817 1.00 0.00 H new ATOM 1579 N ALA A 103 8.822 2.862 4.228 1.00 0.00 N ATOM 1580 CA ALA A 103 7.633 2.806 3.388 1.00 0.00 C ATOM 1581 C ALA A 103 7.958 2.231 2.013 1.00 0.00 C ATOM 1582 O ALA A 103 8.900 2.670 1.354 1.00 0.00 O ATOM 1583 CB ALA A 103 7.018 4.191 3.251 1.00 0.00 C ATOM 0 H ALA A 103 8.965 3.756 4.698 1.00 0.00 H new ATOM 0 HA ALA A 103 6.911 2.145 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.130 4.134 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.740 4.565 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.742 4.868 2.797 1.00 0.00 H new ATOM 1589 N ALA A 104 7.173 1.247 1.588 1.00 0.00 N ATOM 1590 CA ALA A 104 7.377 0.613 0.291 1.00 0.00 C ATOM 1591 C ALA A 104 7.647 1.652 -0.792 1.00 0.00 C ATOM 1592 O ALA A 104 7.085 2.748 -0.788 1.00 0.00 O ATOM 1593 CB ALA A 104 6.169 -0.235 -0.078 1.00 0.00 C ATOM 0 H ALA A 104 6.390 0.871 2.123 1.00 0.00 H new ATOM 0 HA ALA A 104 8.252 -0.033 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.335 -0.702 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.023 -1.008 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.282 0.397 -0.127 1.00 0.00 H new ATOM 1599 N PRO A 105 8.527 1.304 -1.741 1.00 0.00 N ATOM 1600 CA PRO A 105 8.891 2.194 -2.848 1.00 0.00 C ATOM 1601 C PRO A 105 7.748 2.383 -3.840 1.00 0.00 C ATOM 1602 O PRO A 105 6.929 1.485 -4.039 1.00 0.00 O ATOM 1603 CB PRO A 105 10.063 1.469 -3.515 1.00 0.00 C ATOM 1604 CG PRO A 105 9.863 0.032 -3.175 1.00 0.00 C ATOM 1605 CD PRO A 105 9.235 0.014 -1.809 1.00 0.00 C ATOM 0 HA PRO A 105 9.135 3.198 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.062 1.624 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.019 1.835 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.220 -0.456 -3.907 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.812 -0.505 -3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.551 -0.826 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.985 -0.074 -1.023 1.00 0.00 H new ATOM 1613 N LYS A 106 7.698 3.557 -4.460 1.00 0.00 N ATOM 1614 CA LYS A 106 6.656 3.865 -5.432 1.00 0.00 C ATOM 1615 C LYS A 106 6.792 2.986 -6.672 1.00 0.00 C ATOM 1616 O LYS A 106 5.797 2.631 -7.304 1.00 0.00 O ATOM 1617 CB LYS A 106 6.722 5.341 -5.831 1.00 0.00 C ATOM 1618 CG LYS A 106 8.073 5.763 -6.381 1.00 0.00 C ATOM 1619 CD LYS A 106 8.098 7.242 -6.726 1.00 0.00 C ATOM 1620 CE LYS A 106 9.149 7.551 -7.781 1.00 0.00 C ATOM 1621 NZ LYS A 106 10.531 7.409 -7.245 1.00 0.00 N ATOM 0 H LYS A 106 8.367 4.311 -4.306 1.00 0.00 H new ATOM 0 HA LYS A 106 5.690 3.663 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.956 5.541 -6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.485 5.955 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.849 5.547 -5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.304 5.177 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.117 7.549 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.302 7.823 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.018 6.881 -8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.005 8.566 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.218 7.628 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.664 8.066 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.677 6.433 -6.916 1.00 0.00 H new ATOM 1635 N SER A 107 8.029 2.639 -7.012 1.00 0.00 N ATOM 1636 CA SER A 107 8.294 1.803 -8.177 1.00 0.00 C ATOM 1637 C SER A 107 7.369 0.590 -8.198 1.00 0.00 C ATOM 1638 O SER A 107 6.947 0.135 -9.262 1.00 0.00 O ATOM 1639 CB SER A 107 9.754 1.346 -8.181 1.00 0.00 C ATOM 1640 OG SER A 107 9.937 0.216 -7.345 1.00 0.00 O ATOM 0 H SER A 107 8.863 2.923 -6.498 1.00 0.00 H new ATOM 0 HA SER A 107 8.104 2.397 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.059 1.103 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.394 2.160 -7.842 1.00 0.00 H new ATOM 0 HG SER A 107 10.878 -0.058 -7.366 1.00 0.00 H new ATOM 1646 N LEU A 108 7.058 0.071 -7.016 1.00 0.00 N ATOM 1647 CA LEU A 108 6.183 -1.090 -6.896 1.00 0.00 C ATOM 1648 C LEU A 108 4.831 -0.823 -7.551 1.00 0.00 C ATOM 1649 O LEU A 108 4.276 -1.688 -8.229 1.00 0.00 O ATOM 1650 CB LEU A 108 5.986 -1.455 -5.424 1.00 0.00 C ATOM 1651 CG LEU A 108 7.067 -2.338 -4.801 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.846 -2.477 -3.303 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.089 -3.706 -5.467 1.00 0.00 C ATOM 0 H LEU A 108 7.399 0.436 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 108 6.657 -1.926 -7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.922 -0.532 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.027 -1.963 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 108 8.034 -1.862 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.625 -3.109 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.882 -1.492 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.871 -2.929 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.865 -4.321 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.120 -4.189 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.298 -3.590 -6.531 1.00 0.00 H new ATOM 1665 N PHE A 109 4.308 0.381 -7.346 1.00 0.00 N ATOM 1666 CA PHE A 109 3.022 0.764 -7.917 1.00 0.00 C ATOM 1667 C PHE A 109 3.212 1.701 -9.105 1.00 0.00 C ATOM 1668 O PHE A 109 2.494 2.691 -9.249 1.00 0.00 O ATOM 1669 CB PHE A 109 2.149 1.437 -6.856 1.00 0.00 C ATOM 1670 CG PHE A 109 2.253 0.799 -5.500 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.366 1.015 -4.703 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.239 -0.015 -5.023 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.465 0.428 -3.455 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.333 -0.604 -3.776 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.447 -0.381 -2.991 1.00 0.00 C ATOM 0 H PHE A 109 4.755 1.109 -6.788 1.00 0.00 H new ATOM 0 HA PHE A 109 2.524 -0.140 -8.267 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.432 2.487 -6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.109 1.410 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.164 1.648 -5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.365 -0.192 -5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.338 0.602 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.536 -1.238 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.522 -0.839 -2.016 1.00 0.00 H new ATOM 1685 N GLU A 110 4.184 1.382 -9.954 1.00 0.00 N ATOM 1686 CA GLU A 110 4.470 2.197 -11.129 1.00 0.00 C ATOM 1687 C GLU A 110 3.748 1.652 -12.358 1.00 0.00 C ATOM 1688 O GLU A 110 4.264 1.714 -13.473 1.00 0.00 O ATOM 1689 CB GLU A 110 5.977 2.246 -11.389 1.00 0.00 C ATOM 1690 CG GLU A 110 6.403 3.400 -12.280 1.00 0.00 C ATOM 1691 CD GLU A 110 7.863 3.769 -12.099 1.00 0.00 C ATOM 1692 OE1 GLU A 110 8.224 4.235 -10.998 1.00 0.00 O ATOM 1693 OE2 GLU A 110 8.644 3.592 -13.057 1.00 0.00 O ATOM 0 H GLU A 110 4.786 0.565 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 110 4.109 3.207 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.499 2.322 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.289 1.308 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.226 3.134 -13.322 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.783 4.270 -12.063 1.00 0.00 H new ATOM 1700 N ASN A 111 2.550 1.117 -12.144 1.00 0.00 N ATOM 1701 CA ASN A 111 1.757 0.559 -13.233 1.00 0.00 C ATOM 1702 C ASN A 111 0.732 1.572 -13.734 1.00 0.00 C ATOM 1703 O ASN A 111 0.759 1.972 -14.898 1.00 0.00 O ATOM 1704 CB ASN A 111 1.047 -0.716 -12.773 1.00 0.00 C ATOM 1705 CG ASN A 111 2.020 -1.811 -12.381 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.010 -2.288 -11.246 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.868 -2.213 -13.320 1.00 0.00 N ATOM 0 H ASN A 111 2.108 1.058 -11.227 1.00 0.00 H new ATOM 0 HA ASN A 111 2.432 0.316 -14.053 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.404 -0.484 -11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.401 -1.077 -13.573 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.547 -2.946 -13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.840 -1.789 -14.247 1.00 0.00 H new