USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 965 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 55 THR OG1 : rot 93:sc= 0.434 USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0.411 K(o=0.84,f=-0.0037) USER MOD Set 2.1: A 48 ASN : amide:sc= 0.157 K(o=-0.74,f=-7.6!) USER MOD Set 2.2: A 50 SER OG : rot -10:sc= 0.876 USER MOD Set 2.3: A 111 HIS : no HD1:sc= -1.78 K(o=-0.74,f=-5.2!) USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.316) USER MOD Single : A 25 GLN : amide:sc= -3.16! C(o=-3.2!,f=-11!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0411 K(o=-0.041,f=-0.62) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 41:sc= 0.00398 USER MOD Single : A 59 CYS SG : rot 25:sc= -0.726 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.35 F(o=-1.1,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0265) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0595 F(o=-1,f=-0.06) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0213 F(o=-0.57,f=-0.021) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.226 K(o=-0.23,f=-5.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.509 F(o=-1.2,f=-0.51) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.35! C(o=-4.9!,f=-1.4!) USER MOD Single : A 97 ASN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 36:sc= 0.336 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 123 ASN : amide:sc= -1.26 X(o=-1.3,f=-0.87) USER MOD Single : A 124 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.4!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0.224 X(o=0.22,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 132 N ILE A 13 0.587 -13.690 8.485 1.00 0.00 N ATOM 133 CA ILE A 13 1.575 -12.763 7.949 1.00 0.00 C ATOM 134 C ILE A 13 1.520 -11.422 8.671 1.00 0.00 C ATOM 135 O ILE A 13 0.496 -10.737 8.683 1.00 0.00 O ATOM 136 CB ILE A 13 1.368 -12.531 6.440 1.00 0.00 C ATOM 137 CG1 ILE A 13 1.428 -13.860 5.684 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.413 -11.564 5.905 1.00 0.00 C ATOM 139 CD1 ILE A 13 0.614 -13.867 4.410 1.00 0.00 C ATOM 0 HA ILE A 13 2.553 -13.217 8.108 1.00 0.00 H new ATOM 0 HB ILE A 13 0.382 -12.092 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.467 -14.085 5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.072 -14.657 6.337 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.254 -11.410 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.327 -10.610 6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.408 -11.978 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.703 -14.840 3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.432 -13.673 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.984 -13.093 3.738 1.00 0.00 H new ATOM 151 N PRO A 14 2.647 -11.034 9.286 1.00 0.00 N ATOM 152 CA PRO A 14 2.753 -9.769 10.020 1.00 0.00 C ATOM 153 C PRO A 14 2.725 -8.558 9.094 1.00 0.00 C ATOM 154 O PRO A 14 2.752 -8.698 7.871 1.00 0.00 O ATOM 155 CB PRO A 14 4.111 -9.877 10.718 1.00 0.00 C ATOM 156 CG PRO A 14 4.897 -10.820 9.874 1.00 0.00 C ATOM 157 CD PRO A 14 3.904 -11.799 9.312 1.00 0.00 C ATOM 0 HA PRO A 14 1.917 -9.623 10.704 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.600 -8.905 10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.004 -10.252 11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.416 -10.289 9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.657 -11.331 10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.191 -12.135 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.820 -12.689 9.936 1.00 0.00 H new ATOM 165 N ASP A 15 2.671 -7.369 9.685 1.00 0.00 N ATOM 166 CA ASP A 15 2.641 -6.132 8.913 1.00 0.00 C ATOM 167 C ASP A 15 4.055 -5.673 8.568 1.00 0.00 C ATOM 168 O ASP A 15 5.023 -6.063 9.221 1.00 0.00 O ATOM 169 CB ASP A 15 1.912 -5.037 9.692 1.00 0.00 C ATOM 170 CG ASP A 15 0.441 -5.348 9.889 1.00 0.00 C ATOM 171 OD1 ASP A 15 -0.338 -5.158 8.932 1.00 0.00 O ATOM 172 OD2 ASP A 15 0.069 -5.781 11.000 1.00 0.00 O ATOM 0 H ASP A 15 2.647 -7.236 10.696 1.00 0.00 H new ATOM 0 HA ASP A 15 2.104 -6.325 7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.387 -4.910 10.665 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.012 -4.090 9.162 1.00 0.00 H new ATOM 177 N LEU A 16 4.166 -4.843 7.536 1.00 0.00 N ATOM 178 CA LEU A 16 5.461 -4.331 7.103 1.00 0.00 C ATOM 179 C LEU A 16 5.465 -2.806 7.084 1.00 0.00 C ATOM 180 O LEU A 16 4.553 -2.178 6.545 1.00 0.00 O ATOM 181 CB LEU A 16 5.806 -4.870 5.714 1.00 0.00 C ATOM 182 CG LEU A 16 6.590 -6.183 5.679 1.00 0.00 C ATOM 183 CD1 LEU A 16 6.838 -6.619 4.243 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.906 -6.038 6.429 1.00 0.00 C ATOM 0 H LEU A 16 3.375 -4.511 6.984 1.00 0.00 H new ATOM 0 HA LEU A 16 6.214 -4.669 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.878 -5.009 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.383 -4.111 5.185 1.00 0.00 H new ATOM 0 HG LEU A 16 5.996 -6.952 6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.397 -7.555 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.884 -6.764 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.411 -5.851 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.451 -6.982 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.506 -5.255 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.706 -5.773 7.467 1.00 0.00 H new ATOM 196 N LYS A 17 6.498 -2.214 7.674 1.00 0.00 N ATOM 197 CA LYS A 17 6.624 -0.762 7.723 1.00 0.00 C ATOM 198 C LYS A 17 7.244 -0.227 6.436 1.00 0.00 C ATOM 199 O LYS A 17 8.320 -0.661 6.026 1.00 0.00 O ATOM 200 CB LYS A 17 7.474 -0.343 8.924 1.00 0.00 C ATOM 201 CG LYS A 17 7.434 1.148 9.208 1.00 0.00 C ATOM 202 CD LYS A 17 7.797 1.451 10.652 1.00 0.00 C ATOM 203 CE LYS A 17 9.304 1.479 10.853 1.00 0.00 C ATOM 204 NZ LYS A 17 9.849 0.127 11.155 1.00 0.00 N ATOM 0 H LYS A 17 7.261 -2.718 8.126 1.00 0.00 H new ATOM 0 HA LYS A 17 5.625 -0.339 7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.130 -0.882 9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.507 -0.643 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.125 1.665 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.437 1.533 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.372 2.412 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.356 0.698 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.783 1.871 9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.549 2.160 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.618 0.210 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.094 -0.473 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.216 -0.302 10.282 1.00 0.00 H new ATOM 218 N VAL A 18 6.558 0.721 5.804 1.00 0.00 N ATOM 219 CA VAL A 18 7.043 1.318 4.566 1.00 0.00 C ATOM 220 C VAL A 18 7.450 2.772 4.779 1.00 0.00 C ATOM 221 O VAL A 18 8.404 3.256 4.170 1.00 0.00 O ATOM 222 CB VAL A 18 5.977 1.252 3.456 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.468 -0.171 3.288 1.00 0.00 C ATOM 224 CG2 VAL A 18 4.831 2.205 3.762 1.00 0.00 C ATOM 0 H VAL A 18 5.665 1.091 6.129 1.00 0.00 H new ATOM 0 HA VAL A 18 7.915 0.741 4.257 1.00 0.00 H new ATOM 0 HB VAL A 18 6.435 1.561 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.716 -0.198 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.298 -0.825 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.025 -0.512 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.087 2.146 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.372 1.929 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.213 3.224 3.827 1.00 0.00 H new ATOM 234 N PHE A 19 6.720 3.464 5.647 1.00 0.00 N ATOM 235 CA PHE A 19 7.004 4.863 5.941 1.00 0.00 C ATOM 236 C PHE A 19 6.770 5.167 7.418 1.00 0.00 C ATOM 237 O PHE A 19 5.739 4.802 7.981 1.00 0.00 O ATOM 238 CB PHE A 19 6.132 5.775 5.077 1.00 0.00 C ATOM 239 CG PHE A 19 6.459 7.234 5.224 1.00 0.00 C ATOM 240 CD1 PHE A 19 7.415 7.828 4.416 1.00 0.00 C ATOM 241 CD2 PHE A 19 5.811 8.011 6.171 1.00 0.00 C ATOM 242 CE1 PHE A 19 7.719 9.170 4.548 1.00 0.00 C ATOM 243 CE2 PHE A 19 6.110 9.353 6.308 1.00 0.00 C ATOM 244 CZ PHE A 19 7.066 9.933 5.496 1.00 0.00 C ATOM 0 H PHE A 19 5.927 3.078 6.159 1.00 0.00 H new ATOM 0 HA PHE A 19 8.053 5.051 5.711 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.246 5.489 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.086 5.617 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.929 7.235 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.064 7.563 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.466 9.621 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.597 9.948 7.049 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.302 10.981 5.603 1.00 0.00 H new ATOM 254 N GLU A 20 7.736 5.838 8.039 1.00 0.00 N ATOM 255 CA GLU A 20 7.636 6.190 9.450 1.00 0.00 C ATOM 256 C GLU A 20 8.215 7.578 9.708 1.00 0.00 C ATOM 257 O GLU A 20 9.429 7.775 9.654 1.00 0.00 O ATOM 258 CB GLU A 20 8.363 5.154 10.310 1.00 0.00 C ATOM 259 CG GLU A 20 8.203 5.382 11.804 1.00 0.00 C ATOM 260 CD GLU A 20 8.591 4.167 12.624 1.00 0.00 C ATOM 261 OE1 GLU A 20 9.800 3.990 12.885 1.00 0.00 O ATOM 262 OE2 GLU A 20 7.688 3.395 13.005 1.00 0.00 O ATOM 0 H GLU A 20 8.596 6.148 7.587 1.00 0.00 H new ATOM 0 HA GLU A 20 6.580 6.200 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.989 4.161 10.061 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.424 5.167 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.817 6.231 12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.167 5.645 12.019 1.00 0.00 H new ATOM 269 N ARG A 21 7.338 8.536 9.987 1.00 0.00 N ATOM 270 CA ARG A 21 7.761 9.906 10.251 1.00 0.00 C ATOM 271 C ARG A 21 7.000 10.491 11.437 1.00 0.00 C ATOM 272 O ARG A 21 5.777 10.383 11.515 1.00 0.00 O ATOM 273 CB ARG A 21 7.545 10.777 9.012 1.00 0.00 C ATOM 274 CG ARG A 21 8.294 12.098 9.058 1.00 0.00 C ATOM 275 CD ARG A 21 9.667 11.983 8.414 1.00 0.00 C ATOM 276 NE ARG A 21 10.364 13.266 8.378 1.00 0.00 N ATOM 277 CZ ARG A 21 11.462 13.486 7.664 1.00 0.00 C ATOM 278 NH1 ARG A 21 11.984 12.514 6.928 1.00 0.00 N ATOM 279 NH2 ARG A 21 12.039 14.681 7.683 1.00 0.00 N ATOM 0 H ARG A 21 6.330 8.389 10.036 1.00 0.00 H new ATOM 0 HA ARG A 21 8.823 9.891 10.495 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.859 10.221 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.479 10.977 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.713 12.865 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.403 12.420 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.267 11.260 8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.560 11.600 7.399 1.00 0.00 H new ATOM 0 HE ARG A 21 9.987 14.035 8.932 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.542 11.595 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.827 12.686 6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.639 15.431 8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.882 14.849 7.134 1.00 0.00 H new ATOM 293 N GLU A 22 7.733 11.110 12.357 1.00 0.00 N ATOM 294 CA GLU A 22 7.127 11.711 13.539 1.00 0.00 C ATOM 295 C GLU A 22 5.774 12.330 13.201 1.00 0.00 C ATOM 296 O GLU A 22 5.699 13.358 12.530 1.00 0.00 O ATOM 297 CB GLU A 22 8.054 12.776 14.130 1.00 0.00 C ATOM 298 CG GLU A 22 8.420 13.876 13.148 1.00 0.00 C ATOM 299 CD GLU A 22 9.478 14.816 13.693 1.00 0.00 C ATOM 300 OE1 GLU A 22 9.180 15.547 14.661 1.00 0.00 O ATOM 301 OE2 GLU A 22 10.604 14.820 13.153 1.00 0.00 O ATOM 0 H GLU A 22 8.747 11.208 12.306 1.00 0.00 H new ATOM 0 HA GLU A 22 6.973 10.924 14.277 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.573 13.222 15.000 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.967 12.296 14.482 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.780 13.427 12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.526 14.447 12.898 1.00 0.00 H new ATOM 308 N GLY A 23 4.704 11.694 13.671 1.00 0.00 N ATOM 309 CA GLY A 23 3.368 12.195 13.409 1.00 0.00 C ATOM 310 C GLY A 23 2.667 11.427 12.306 1.00 0.00 C ATOM 311 O GLY A 23 1.508 11.039 12.449 1.00 0.00 O ATOM 0 H GLY A 23 4.740 10.841 14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.776 12.136 14.322 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.426 13.248 13.134 1.00 0.00 H new ATOM 315 N VAL A 24 3.371 11.209 11.199 1.00 0.00 N ATOM 316 CA VAL A 24 2.809 10.483 10.067 1.00 0.00 C ATOM 317 C VAL A 24 3.475 9.122 9.901 1.00 0.00 C ATOM 318 O VAL A 24 4.682 9.034 9.679 1.00 0.00 O ATOM 319 CB VAL A 24 2.963 11.280 8.757 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.351 10.517 7.593 1.00 0.00 C ATOM 321 CG2 VAL A 24 2.331 12.657 8.894 1.00 0.00 C ATOM 0 H VAL A 24 4.331 11.525 11.063 1.00 0.00 H new ATOM 0 HA VAL A 24 1.749 10.342 10.277 1.00 0.00 H new ATOM 0 HB VAL A 24 4.026 11.412 8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.469 11.095 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.854 9.556 7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.291 10.352 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.449 13.206 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.270 12.550 9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.820 13.203 9.700 1.00 0.00 H new ATOM 331 N GLN A 25 2.679 8.063 10.012 1.00 0.00 N ATOM 332 CA GLN A 25 3.192 6.705 9.875 1.00 0.00 C ATOM 333 C GLN A 25 2.338 5.895 8.905 1.00 0.00 C ATOM 334 O GLN A 25 1.128 6.104 8.804 1.00 0.00 O ATOM 335 CB GLN A 25 3.233 6.012 11.238 1.00 0.00 C ATOM 336 CG GLN A 25 4.458 6.368 12.065 1.00 0.00 C ATOM 337 CD GLN A 25 4.242 7.593 12.931 1.00 0.00 C ATOM 338 OE1 GLN A 25 4.157 8.715 12.430 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.151 7.385 14.239 1.00 0.00 N ATOM 0 H GLN A 25 1.677 8.119 10.196 1.00 0.00 H new ATOM 0 HA GLN A 25 4.204 6.765 9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.337 6.278 11.799 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.207 4.933 11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.722 5.522 12.699 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.303 6.543 11.399 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.227 6.438 14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.005 8.172 14.872 1.00 0.00 H new ATOM 348 N LEU A 26 2.974 4.971 8.193 1.00 0.00 N ATOM 349 CA LEU A 26 2.272 4.130 7.230 1.00 0.00 C ATOM 350 C LEU A 26 2.589 2.656 7.462 1.00 0.00 C ATOM 351 O LEU A 26 3.753 2.268 7.547 1.00 0.00 O ATOM 352 CB LEU A 26 2.652 4.527 5.803 1.00 0.00 C ATOM 353 CG LEU A 26 1.699 4.064 4.701 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.319 4.671 4.898 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.252 4.426 3.330 1.00 0.00 C ATOM 0 H LEU A 26 3.974 4.785 8.264 1.00 0.00 H new ATOM 0 HA LEU A 26 1.201 4.279 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.728 5.613 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.644 4.129 5.589 1.00 0.00 H new ATOM 0 HG LEU A 26 1.608 2.979 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.345 4.330 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.080 4.361 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.392 5.758 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.560 4.089 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.374 5.507 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.218 3.942 3.188 1.00 0.00 H new ATOM 367 N ASN A 27 1.545 1.839 7.561 1.00 0.00 N ATOM 368 CA ASN A 27 1.713 0.407 7.781 1.00 0.00 C ATOM 369 C ASN A 27 1.207 -0.390 6.582 1.00 0.00 C ATOM 370 O ASN A 27 0.369 0.086 5.815 1.00 0.00 O ATOM 371 CB ASN A 27 0.971 -0.026 9.046 1.00 0.00 C ATOM 372 CG ASN A 27 1.514 0.646 10.293 1.00 0.00 C ATOM 373 OD1 ASN A 27 2.416 0.126 10.950 1.00 0.00 O ATOM 374 ND2 ASN A 27 0.964 1.808 10.625 1.00 0.00 N ATOM 0 H ASN A 27 0.574 2.144 7.492 1.00 0.00 H new ATOM 0 HA ASN A 27 2.777 0.206 7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.088 0.210 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.048 -1.108 9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.287 2.307 11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.219 2.202 10.051 1.00 0.00 H new ATOM 381 N LEU A 28 1.719 -1.606 6.429 1.00 0.00 N ATOM 382 CA LEU A 28 1.318 -2.471 5.325 1.00 0.00 C ATOM 383 C LEU A 28 0.824 -3.819 5.841 1.00 0.00 C ATOM 384 O LEU A 28 1.449 -4.430 6.707 1.00 0.00 O ATOM 385 CB LEU A 28 2.489 -2.679 4.363 1.00 0.00 C ATOM 386 CG LEU A 28 2.126 -3.154 2.955 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.376 -3.294 2.100 1.00 0.00 C ATOM 388 CD2 LEU A 28 1.368 -4.472 3.016 1.00 0.00 C ATOM 0 H LEU A 28 2.412 -2.015 7.055 1.00 0.00 H new ATOM 0 HA LEU A 28 0.500 -1.984 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.035 -1.739 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.171 -3.405 4.805 1.00 0.00 H new ATOM 0 HG LEU A 28 1.479 -2.407 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.098 -3.633 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.878 -2.329 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.049 -4.021 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.118 -4.795 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.990 -5.228 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.452 -4.339 3.591 1.00 0.00 H new ATOM 400 N SER A 29 -0.301 -4.277 5.301 1.00 0.00 N ATOM 401 CA SER A 29 -0.880 -5.552 5.707 1.00 0.00 C ATOM 402 C SER A 29 -1.167 -6.430 4.493 1.00 0.00 C ATOM 403 O SER A 29 -1.757 -5.980 3.511 1.00 0.00 O ATOM 404 CB SER A 29 -2.169 -5.321 6.499 1.00 0.00 C ATOM 405 OG SER A 29 -2.768 -6.551 6.868 1.00 0.00 O ATOM 0 H SER A 29 -0.829 -3.784 4.581 1.00 0.00 H new ATOM 0 HA SER A 29 -0.158 -6.065 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.951 -4.737 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.868 -4.738 5.900 1.00 0.00 H new ATOM 0 HG SER A 29 -3.589 -6.376 7.374 1.00 0.00 H new ATOM 411 N PHE A 30 -0.744 -7.688 4.568 1.00 0.00 N ATOM 412 CA PHE A 30 -0.953 -8.631 3.476 1.00 0.00 C ATOM 413 C PHE A 30 -2.107 -9.579 3.789 1.00 0.00 C ATOM 414 O PHE A 30 -2.337 -9.932 4.946 1.00 0.00 O ATOM 415 CB PHE A 30 0.324 -9.433 3.215 1.00 0.00 C ATOM 416 CG PHE A 30 1.566 -8.589 3.181 1.00 0.00 C ATOM 417 CD1 PHE A 30 1.895 -7.863 2.048 1.00 0.00 C ATOM 418 CD2 PHE A 30 2.403 -8.521 4.283 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.038 -7.086 2.015 1.00 0.00 C ATOM 420 CE2 PHE A 30 3.547 -7.745 4.256 1.00 0.00 C ATOM 421 CZ PHE A 30 3.864 -7.026 3.120 1.00 0.00 C ATOM 0 H PHE A 30 -0.255 -8.077 5.374 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.206 -8.062 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.431 -10.192 3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.226 -9.959 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.252 -7.904 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.159 -9.081 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.285 -6.526 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.192 -7.701 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.756 -6.418 3.096 1.00 0.00 H new ATOM 431 N ILE A 31 -2.829 -9.986 2.751 1.00 0.00 N ATOM 432 CA ILE A 31 -3.958 -10.893 2.914 1.00 0.00 C ATOM 433 C ILE A 31 -4.018 -11.907 1.778 1.00 0.00 C ATOM 434 O ILE A 31 -3.914 -11.548 0.605 1.00 0.00 O ATOM 435 CB ILE A 31 -5.292 -10.125 2.973 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.392 -9.331 4.277 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.463 -11.088 2.843 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.632 -8.023 4.246 1.00 0.00 C ATOM 0 H ILE A 31 -2.652 -9.702 1.787 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.807 -11.418 3.857 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.328 -9.424 2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.441 -9.128 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.014 -9.943 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.399 -10.531 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.398 -11.614 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.433 -11.810 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.747 -7.513 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.576 -8.220 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.026 -7.392 3.449 1.00 0.00 H new ATOM 450 N ARG A 32 -4.189 -13.177 2.133 1.00 0.00 N ATOM 451 CA ARG A 32 -4.264 -14.244 1.142 1.00 0.00 C ATOM 452 C ARG A 32 -5.507 -15.102 1.361 1.00 0.00 C ATOM 453 O ARG A 32 -5.564 -15.937 2.263 1.00 0.00 O ATOM 454 CB ARG A 32 -3.010 -15.117 1.207 1.00 0.00 C ATOM 455 CG ARG A 32 -1.785 -14.473 0.579 1.00 0.00 C ATOM 456 CD ARG A 32 -0.621 -15.447 0.501 1.00 0.00 C ATOM 457 NE ARG A 32 -1.071 -16.825 0.321 1.00 0.00 N ATOM 458 CZ ARG A 32 -1.431 -17.618 1.324 1.00 0.00 C ATOM 459 NH1 ARG A 32 -1.395 -17.171 2.572 1.00 0.00 N ATOM 460 NH2 ARG A 32 -1.830 -18.860 1.080 1.00 0.00 N ATOM 0 H ARG A 32 -4.278 -13.492 3.099 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.329 -13.786 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.793 -15.349 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.210 -16.063 0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.032 -14.119 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.492 -13.600 1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.031 -15.167 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.027 -15.376 1.412 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.111 -17.199 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.090 -16.217 2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.672 -17.782 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.860 -19.207 0.121 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.106 -19.468 1.851 1.00 0.00 H new ATOM 474 N PRO A 33 -6.527 -14.892 0.515 1.00 0.00 N ATOM 475 CA PRO A 33 -7.787 -15.637 0.596 1.00 0.00 C ATOM 476 C PRO A 33 -7.624 -17.098 0.191 1.00 0.00 C ATOM 477 O PRO A 33 -6.777 -17.449 -0.631 1.00 0.00 O ATOM 478 CB PRO A 33 -8.695 -14.906 -0.397 1.00 0.00 C ATOM 479 CG PRO A 33 -7.760 -14.271 -1.368 1.00 0.00 C ATOM 480 CD PRO A 33 -6.528 -13.913 -0.584 1.00 0.00 C ATOM 0 HA PRO A 33 -8.179 -15.666 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.374 -15.598 -0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.311 -14.160 0.105 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.519 -14.955 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.207 -13.385 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.627 -13.991 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.572 -12.890 -0.211 1.00 0.00 H new ATOM 488 N PRO A 34 -8.453 -17.972 0.781 1.00 0.00 N ATOM 489 CA PRO A 34 -8.421 -19.410 0.496 1.00 0.00 C ATOM 490 C PRO A 34 -8.919 -19.734 -0.908 1.00 0.00 C ATOM 491 O PRO A 34 -8.369 -20.601 -1.586 1.00 0.00 O ATOM 492 CB PRO A 34 -9.363 -20.001 1.548 1.00 0.00 C ATOM 493 CG PRO A 34 -10.292 -18.888 1.892 1.00 0.00 C ATOM 494 CD PRO A 34 -9.487 -17.624 1.770 1.00 0.00 C ATOM 0 HA PRO A 34 -7.408 -19.811 0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.904 -20.862 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.813 -20.343 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.148 -18.872 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.684 -19.005 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.100 -16.788 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.048 -17.333 2.725 1.00 0.00 H new ATOM 502 N GLU A 35 -9.962 -19.032 -1.338 1.00 0.00 N ATOM 503 CA GLU A 35 -10.534 -19.247 -2.662 1.00 0.00 C ATOM 504 C GLU A 35 -9.480 -19.051 -3.748 1.00 0.00 C ATOM 505 O GLU A 35 -9.430 -19.801 -4.722 1.00 0.00 O ATOM 506 CB GLU A 35 -11.707 -18.293 -2.897 1.00 0.00 C ATOM 507 CG GLU A 35 -11.320 -16.825 -2.831 1.00 0.00 C ATOM 508 CD GLU A 35 -12.469 -15.902 -3.189 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.261 -15.563 -2.284 1.00 0.00 O ATOM 510 OE2 GLU A 35 -12.577 -15.520 -4.372 1.00 0.00 O ATOM 0 H GLU A 35 -10.428 -18.310 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.895 -20.274 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.144 -18.501 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.479 -18.490 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.970 -16.590 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.487 -16.642 -3.510 1.00 0.00 H new ATOM 517 N ASN A 36 -8.638 -18.037 -3.572 1.00 0.00 N ATOM 518 CA ASN A 36 -7.585 -17.741 -4.537 1.00 0.00 C ATOM 519 C ASN A 36 -6.241 -17.566 -3.837 1.00 0.00 C ATOM 520 O ASN A 36 -5.918 -16.498 -3.317 1.00 0.00 O ATOM 521 CB ASN A 36 -7.930 -16.478 -5.328 1.00 0.00 C ATOM 522 CG ASN A 36 -8.752 -16.778 -6.566 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.242 -17.893 -6.745 1.00 0.00 O ATOM 524 ND2 ASN A 36 -8.906 -15.781 -7.430 1.00 0.00 N ATOM 0 H ASN A 36 -8.665 -17.407 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.509 -18.583 -5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.482 -15.790 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.009 -15.973 -5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.448 -15.924 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.482 -14.873 -7.241 1.00 0.00 H new ATOM 531 N PRO A 37 -5.436 -18.639 -3.825 1.00 0.00 N ATOM 532 CA PRO A 37 -4.113 -18.628 -3.194 1.00 0.00 C ATOM 533 C PRO A 37 -3.113 -17.766 -3.957 1.00 0.00 C ATOM 534 O PRO A 37 -2.176 -17.222 -3.375 1.00 0.00 O ATOM 535 CB PRO A 37 -3.689 -20.099 -3.233 1.00 0.00 C ATOM 536 CG PRO A 37 -4.445 -20.680 -4.378 1.00 0.00 C ATOM 537 CD PRO A 37 -5.756 -19.945 -4.425 1.00 0.00 C ATOM 0 HA PRO A 37 -4.145 -18.205 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.613 -20.197 -3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.932 -20.606 -2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.895 -20.557 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.602 -21.750 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.121 -19.839 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.530 -20.467 -3.862 1.00 0.00 H new ATOM 545 N ALA A 38 -3.321 -17.645 -5.265 1.00 0.00 N ATOM 546 CA ALA A 38 -2.439 -16.846 -6.107 1.00 0.00 C ATOM 547 C ALA A 38 -2.801 -15.367 -6.033 1.00 0.00 C ATOM 548 O ALA A 38 -2.137 -14.524 -6.638 1.00 0.00 O ATOM 549 CB ALA A 38 -2.500 -17.335 -7.547 1.00 0.00 C ATOM 0 H ALA A 38 -4.092 -18.090 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.420 -16.962 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.837 -16.730 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.186 -18.378 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.521 -17.248 -7.918 1.00 0.00 H new ATOM 555 N LEU A 39 -3.857 -15.057 -5.290 1.00 0.00 N ATOM 556 CA LEU A 39 -4.308 -13.678 -5.137 1.00 0.00 C ATOM 557 C LEU A 39 -3.755 -13.063 -3.856 1.00 0.00 C ATOM 558 O LEU A 39 -3.898 -13.629 -2.771 1.00 0.00 O ATOM 559 CB LEU A 39 -5.837 -13.619 -5.126 1.00 0.00 C ATOM 560 CG LEU A 39 -6.454 -12.231 -4.949 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.261 -11.398 -6.207 1.00 0.00 C ATOM 562 CD2 LEU A 39 -7.931 -12.344 -4.603 1.00 0.00 C ATOM 0 H LEU A 39 -4.418 -15.742 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.934 -13.103 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.204 -14.041 -6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.200 -14.261 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.946 -11.730 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.706 -10.413 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.196 -11.288 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.742 -11.894 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.353 -11.347 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.454 -12.864 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.045 -12.903 -3.674 1.00 0.00 H new ATOM 574 N LEU A 40 -3.125 -11.901 -3.988 1.00 0.00 N ATOM 575 CA LEU A 40 -2.551 -11.207 -2.840 1.00 0.00 C ATOM 576 C LEU A 40 -3.222 -9.853 -2.632 1.00 0.00 C ATOM 577 O LEU A 40 -2.965 -8.901 -3.370 1.00 0.00 O ATOM 578 CB LEU A 40 -1.045 -11.019 -3.033 1.00 0.00 C ATOM 579 CG LEU A 40 -0.307 -10.307 -1.899 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.376 -11.127 -0.620 1.00 0.00 C ATOM 581 CD2 LEU A 40 1.140 -10.043 -2.288 1.00 0.00 C ATOM 0 H LEU A 40 -2.999 -11.419 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.723 -11.818 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.592 -12.000 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.884 -10.457 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.794 -9.349 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.155 -10.605 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.418 -11.265 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.086 -12.100 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.650 -9.536 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.639 -10.989 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.169 -9.415 -3.178 1.00 0.00 H new ATOM 593 N LEU A 41 -4.081 -9.773 -1.622 1.00 0.00 N ATOM 594 CA LEU A 41 -4.787 -8.534 -1.315 1.00 0.00 C ATOM 595 C LEU A 41 -3.996 -7.688 -0.322 1.00 0.00 C ATOM 596 O LEU A 41 -3.848 -8.057 0.843 1.00 0.00 O ATOM 597 CB LEU A 41 -6.174 -8.842 -0.748 1.00 0.00 C ATOM 598 CG LEU A 41 -7.021 -9.834 -1.547 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.210 -10.305 -0.724 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.487 -9.206 -2.852 1.00 0.00 C ATOM 0 H LEU A 41 -4.305 -10.551 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.896 -7.968 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.053 -9.230 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.727 -7.906 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.405 -10.701 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.801 -11.010 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.854 -10.794 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.828 -9.449 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.088 -9.926 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.087 -8.322 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.620 -8.920 -3.448 1.00 0.00 H new ATOM 612 N ILE A 42 -3.492 -6.552 -0.791 1.00 0.00 N ATOM 613 CA ILE A 42 -2.719 -5.652 0.056 1.00 0.00 C ATOM 614 C ILE A 42 -3.580 -4.500 0.563 1.00 0.00 C ATOM 615 O ILE A 42 -4.491 -4.041 -0.127 1.00 0.00 O ATOM 616 CB ILE A 42 -1.502 -5.079 -0.694 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.411 -6.142 -0.827 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.967 -3.850 0.027 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.696 -5.756 -1.784 1.00 0.00 C ATOM 0 H ILE A 42 -3.605 -6.233 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.368 -6.240 0.904 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.817 -4.782 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.020 -6.334 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.863 -7.075 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.107 -3.456 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.746 -3.089 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.665 -4.124 1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.434 -6.557 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.278 -5.593 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.174 -4.840 -1.437 1.00 0.00 H new ATOM 631 N THR A 43 -3.283 -4.034 1.772 1.00 0.00 N ATOM 632 CA THR A 43 -4.028 -2.934 2.371 1.00 0.00 C ATOM 633 C THR A 43 -3.088 -1.897 2.976 1.00 0.00 C ATOM 634 O THR A 43 -2.105 -2.245 3.630 1.00 0.00 O ATOM 635 CB THR A 43 -4.991 -3.437 3.464 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.850 -4.450 2.930 1.00 0.00 O ATOM 637 CG2 THR A 43 -5.829 -2.293 4.015 1.00 0.00 C ATOM 0 H THR A 43 -2.531 -4.402 2.356 1.00 0.00 H new ATOM 0 HA THR A 43 -4.607 -2.472 1.571 1.00 0.00 H new ATOM 0 HB THR A 43 -4.397 -3.855 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.458 -4.766 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.501 -2.672 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.173 -1.537 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.414 -1.849 3.209 1.00 0.00 H new ATOM 645 N ILE A 44 -3.397 -0.624 2.754 1.00 0.00 N ATOM 646 CA ILE A 44 -2.580 0.462 3.279 1.00 0.00 C ATOM 647 C ILE A 44 -3.239 1.109 4.492 1.00 0.00 C ATOM 648 O ILE A 44 -4.452 1.319 4.516 1.00 0.00 O ATOM 649 CB ILE A 44 -2.324 1.542 2.211 1.00 0.00 C ATOM 650 CG1 ILE A 44 -2.173 0.899 0.831 1.00 0.00 C ATOM 651 CG2 ILE A 44 -1.086 2.352 2.563 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.763 1.876 -0.249 1.00 0.00 C ATOM 0 H ILE A 44 -4.207 -0.320 2.214 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.627 0.024 3.576 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.180 2.217 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.431 0.102 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.118 0.435 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.918 3.111 1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.230 2.835 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.221 1.691 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.675 1.351 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.516 2.660 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.803 2.322 0.009 1.00 0.00 H new ATOM 664 N THR A 45 -2.431 1.426 5.500 1.00 0.00 N ATOM 665 CA THR A 45 -2.936 2.050 6.716 1.00 0.00 C ATOM 666 C THR A 45 -2.135 3.299 7.066 1.00 0.00 C ATOM 667 O THR A 45 -1.038 3.211 7.616 1.00 0.00 O ATOM 668 CB THR A 45 -2.890 1.075 7.908 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.477 -0.178 7.539 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.626 1.652 9.108 1.00 0.00 C ATOM 0 H THR A 45 -1.425 1.261 5.497 1.00 0.00 H new ATOM 0 HA THR A 45 -3.972 2.328 6.522 1.00 0.00 H new ATOM 0 HB THR A 45 -1.846 0.920 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.442 -0.793 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.580 0.946 9.937 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.158 2.591 9.405 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.668 1.833 8.843 1.00 0.00 H new ATOM 678 N ALA A 46 -2.692 4.462 6.743 1.00 0.00 N ATOM 679 CA ALA A 46 -2.030 5.730 7.025 1.00 0.00 C ATOM 680 C ALA A 46 -2.685 6.440 8.206 1.00 0.00 C ATOM 681 O ALA A 46 -3.823 6.901 8.113 1.00 0.00 O ATOM 682 CB ALA A 46 -2.051 6.622 5.793 1.00 0.00 C ATOM 0 H ALA A 46 -3.599 4.552 6.286 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.994 5.520 7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.553 7.565 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.531 6.124 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.083 6.817 5.502 1.00 0.00 H new ATOM 688 N THR A 47 -1.959 6.524 9.317 1.00 0.00 N ATOM 689 CA THR A 47 -2.470 7.175 10.516 1.00 0.00 C ATOM 690 C THR A 47 -1.653 8.416 10.858 1.00 0.00 C ATOM 691 O THR A 47 -0.428 8.355 10.958 1.00 0.00 O ATOM 692 CB THR A 47 -2.460 6.218 11.723 1.00 0.00 C ATOM 693 OG1 THR A 47 -1.242 5.467 11.742 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.647 5.268 11.670 1.00 0.00 C ATOM 0 H THR A 47 -1.015 6.149 9.411 1.00 0.00 H new ATOM 0 HA THR A 47 -3.498 7.468 10.303 1.00 0.00 H new ATOM 0 HB THR A 47 -2.533 6.814 12.632 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.493 6.053 11.506 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.619 4.602 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.573 5.842 11.685 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.601 4.678 10.754 1.00 0.00 H new ATOM 702 N ASN A 48 -2.338 9.540 11.039 1.00 0.00 N ATOM 703 CA ASN A 48 -1.675 10.795 11.371 1.00 0.00 C ATOM 704 C ASN A 48 -1.993 11.217 12.802 1.00 0.00 C ATOM 705 O ASN A 48 -3.138 11.129 13.246 1.00 0.00 O ATOM 706 CB ASN A 48 -2.101 11.895 10.396 1.00 0.00 C ATOM 707 CG ASN A 48 -1.476 13.236 10.728 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.520 13.314 11.500 1.00 0.00 O ATOM 709 ND2 ASN A 48 -2.015 14.300 10.145 1.00 0.00 N ATOM 0 H ASN A 48 -3.353 9.607 10.961 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.599 10.641 11.287 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.820 11.607 9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.187 11.990 10.411 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.637 15.229 10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.807 14.188 9.512 1.00 0.00 H new ATOM 716 N PHE A 49 -0.973 11.676 13.518 1.00 0.00 N ATOM 717 CA PHE A 49 -1.143 12.112 14.900 1.00 0.00 C ATOM 718 C PHE A 49 -0.733 13.572 15.064 1.00 0.00 C ATOM 719 O PHE A 49 -1.167 14.249 15.997 1.00 0.00 O ATOM 720 CB PHE A 49 -0.319 11.230 15.840 1.00 0.00 C ATOM 721 CG PHE A 49 -0.519 9.759 15.612 1.00 0.00 C ATOM 722 CD1 PHE A 49 -1.743 9.164 15.875 1.00 0.00 C ATOM 723 CD2 PHE A 49 0.516 8.972 15.134 1.00 0.00 C ATOM 724 CE1 PHE A 49 -1.929 7.810 15.666 1.00 0.00 C ATOM 725 CE2 PHE A 49 0.335 7.618 14.923 1.00 0.00 C ATOM 726 CZ PHE A 49 -0.889 7.037 15.188 1.00 0.00 C ATOM 0 H PHE A 49 -0.019 11.756 13.165 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.198 12.019 15.157 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.737 11.468 15.716 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.580 11.468 16.871 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.560 9.764 16.247 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.475 9.422 14.924 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.887 7.357 15.876 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.150 7.015 14.551 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.033 5.980 15.022 1.00 0.00 H new ATOM 736 N SER A 50 0.106 14.051 14.151 1.00 0.00 N ATOM 737 CA SER A 50 0.578 15.430 14.196 1.00 0.00 C ATOM 738 C SER A 50 -0.592 16.407 14.160 1.00 0.00 C ATOM 739 O SER A 50 -1.735 16.015 13.926 1.00 0.00 O ATOM 740 CB SER A 50 1.524 15.706 13.025 1.00 0.00 C ATOM 741 OG SER A 50 0.943 15.307 11.796 1.00 0.00 O ATOM 0 H SER A 50 0.473 13.505 13.372 1.00 0.00 H new ATOM 0 HA SER A 50 1.118 15.572 15.132 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.764 16.769 12.990 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.462 15.173 13.178 1.00 0.00 H new ATOM 0 HG SER A 50 0.126 14.795 11.971 1.00 0.00 H new ATOM 747 N GLU A 51 -0.298 17.683 14.394 1.00 0.00 N ATOM 748 CA GLU A 51 -1.327 18.716 14.390 1.00 0.00 C ATOM 749 C GLU A 51 -1.678 19.128 12.963 1.00 0.00 C ATOM 750 O GLU A 51 -2.793 19.570 12.689 1.00 0.00 O ATOM 751 CB GLU A 51 -0.857 19.937 15.184 1.00 0.00 C ATOM 752 CG GLU A 51 0.527 20.424 14.791 1.00 0.00 C ATOM 753 CD GLU A 51 0.868 21.770 15.400 1.00 0.00 C ATOM 754 OE1 GLU A 51 0.133 22.744 15.133 1.00 0.00 O ATOM 755 OE2 GLU A 51 1.868 21.850 16.143 1.00 0.00 O ATOM 0 H GLU A 51 0.643 18.025 14.588 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.220 18.306 14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.572 20.748 15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.858 19.691 16.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.269 19.689 15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.588 20.495 13.705 1.00 0.00 H new ATOM 762 N GLY A 52 -0.716 18.981 12.057 1.00 0.00 N ATOM 763 CA GLY A 52 -0.941 19.342 10.669 1.00 0.00 C ATOM 764 C GLY A 52 -1.759 18.305 9.926 1.00 0.00 C ATOM 765 O GLY A 52 -1.273 17.212 9.636 1.00 0.00 O ATOM 0 H GLY A 52 0.216 18.618 12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.453 20.303 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.019 19.469 10.169 1.00 0.00 H new ATOM 769 N ASP A 53 -3.006 18.647 9.618 1.00 0.00 N ATOM 770 CA ASP A 53 -3.894 17.736 8.904 1.00 0.00 C ATOM 771 C ASP A 53 -3.299 17.344 7.555 1.00 0.00 C ATOM 772 O ASP A 53 -2.609 18.137 6.914 1.00 0.00 O ATOM 773 CB ASP A 53 -5.266 18.382 8.703 1.00 0.00 C ATOM 774 CG ASP A 53 -5.185 19.892 8.594 1.00 0.00 C ATOM 775 OD1 ASP A 53 -4.874 20.544 9.613 1.00 0.00 O ATOM 776 OD2 ASP A 53 -5.433 20.422 7.491 1.00 0.00 O ATOM 0 H ASP A 53 -3.424 19.548 9.851 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.010 16.834 9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.725 17.980 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.916 18.115 9.537 1.00 0.00 H new ATOM 781 N VAL A 54 -3.572 16.115 7.129 1.00 0.00 N ATOM 782 CA VAL A 54 -3.064 15.617 5.856 1.00 0.00 C ATOM 783 C VAL A 54 -4.205 15.307 4.893 1.00 0.00 C ATOM 784 O VAL A 54 -4.902 14.303 5.042 1.00 0.00 O ATOM 785 CB VAL A 54 -2.211 14.350 6.049 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.029 13.621 4.726 1.00 0.00 C ATOM 787 CG2 VAL A 54 -0.864 14.703 6.662 1.00 0.00 C ATOM 0 H VAL A 54 -4.142 15.446 7.647 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.440 16.405 5.434 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.733 13.683 6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.423 12.728 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.004 13.334 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.529 14.278 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.274 13.796 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.333 15.390 6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.018 15.177 7.631 1.00 0.00 H new ATOM 797 N THR A 55 -4.390 16.175 3.904 1.00 0.00 N ATOM 798 CA THR A 55 -5.446 15.995 2.916 1.00 0.00 C ATOM 799 C THR A 55 -4.866 15.790 1.521 1.00 0.00 C ATOM 800 O THR A 55 -3.649 15.800 1.337 1.00 0.00 O ATOM 801 CB THR A 55 -6.403 17.202 2.890 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.714 18.363 2.413 1.00 0.00 O ATOM 803 CG2 THR A 55 -6.968 17.475 4.276 1.00 0.00 C ATOM 0 H THR A 55 -3.822 17.011 3.766 1.00 0.00 H new ATOM 0 HA THR A 55 -6.003 15.105 3.208 1.00 0.00 H new ATOM 0 HB THR A 55 -7.229 16.968 2.218 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.839 18.442 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.641 18.331 4.232 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.517 16.600 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.152 17.689 4.966 1.00 0.00 H new ATOM 811 N HIS A 56 -5.745 15.607 0.541 1.00 0.00 N ATOM 812 CA HIS A 56 -5.319 15.401 -0.839 1.00 0.00 C ATOM 813 C HIS A 56 -4.157 14.415 -0.907 1.00 0.00 C ATOM 814 O HIS A 56 -3.199 14.619 -1.653 1.00 0.00 O ATOM 815 CB HIS A 56 -4.912 16.732 -1.473 1.00 0.00 C ATOM 816 CG HIS A 56 -5.997 17.763 -1.449 1.00 0.00 C ATOM 817 ND1 HIS A 56 -5.921 18.918 -0.699 1.00 0.00 N ATOM 818 CD2 HIS A 56 -7.189 17.810 -2.089 1.00 0.00 C ATOM 819 CE1 HIS A 56 -7.020 19.630 -0.878 1.00 0.00 C ATOM 820 NE2 HIS A 56 -7.805 18.980 -1.718 1.00 0.00 N ATOM 0 H HIS A 56 -6.756 15.597 0.676 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.159 14.984 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.039 17.123 -0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.612 16.556 -2.506 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.582 17.066 -2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.239 20.581 -0.416 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.720 19.296 -2.039 1.00 0.00 H new ATOM 828 N PHE A 57 -4.248 13.345 -0.124 1.00 0.00 N ATOM 829 CA PHE A 57 -3.203 12.328 -0.095 1.00 0.00 C ATOM 830 C PHE A 57 -3.462 11.252 -1.145 1.00 0.00 C ATOM 831 O PHE A 57 -4.504 10.595 -1.131 1.00 0.00 O ATOM 832 CB PHE A 57 -3.120 11.692 1.294 1.00 0.00 C ATOM 833 CG PHE A 57 -2.518 10.316 1.289 1.00 0.00 C ATOM 834 CD1 PHE A 57 -1.502 9.994 0.403 1.00 0.00 C ATOM 835 CD2 PHE A 57 -2.969 9.344 2.168 1.00 0.00 C ATOM 836 CE1 PHE A 57 -0.945 8.729 0.396 1.00 0.00 C ATOM 837 CE2 PHE A 57 -2.416 8.078 2.165 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.404 7.769 1.277 1.00 0.00 C ATOM 0 H PHE A 57 -5.034 13.160 0.499 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.253 12.812 -0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.529 12.336 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.121 11.640 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.141 10.740 -0.290 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.762 9.579 2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.152 8.491 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.775 7.330 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.973 6.779 1.271 1.00 0.00 H new ATOM 848 N ILE A 58 -2.508 11.078 -2.053 1.00 0.00 N ATOM 849 CA ILE A 58 -2.632 10.082 -3.110 1.00 0.00 C ATOM 850 C ILE A 58 -1.516 9.047 -3.024 1.00 0.00 C ATOM 851 O ILE A 58 -0.341 9.395 -2.901 1.00 0.00 O ATOM 852 CB ILE A 58 -2.605 10.735 -4.505 1.00 0.00 C ATOM 853 CG1 ILE A 58 -3.821 11.645 -4.690 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.566 9.668 -5.588 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.771 12.470 -5.957 1.00 0.00 C ATOM 0 H ILE A 58 -1.640 11.614 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.593 9.589 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.704 11.343 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.724 11.034 -4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.898 12.314 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.547 10.145 -6.568 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.672 9.057 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.451 9.037 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.664 13.091 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.887 13.107 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.726 11.807 -6.821 1.00 0.00 H new ATOM 867 N CYS A 59 -1.891 7.774 -3.091 1.00 0.00 N ATOM 868 CA CYS A 59 -0.921 6.687 -3.021 1.00 0.00 C ATOM 869 C CYS A 59 -0.944 5.855 -4.300 1.00 0.00 C ATOM 870 O CYS A 59 -1.987 5.331 -4.691 1.00 0.00 O ATOM 871 CB CYS A 59 -1.209 5.795 -1.813 1.00 0.00 C ATOM 872 SG CYS A 59 0.025 4.504 -1.537 1.00 0.00 S ATOM 0 H CYS A 59 -2.859 7.470 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 59 0.071 7.125 -2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.272 6.419 -0.921 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.185 5.328 -1.945 1.00 0.00 H new ATOM 0 HG CYS A 59 1.159 4.869 -2.058 1.00 0.00 H new ATOM 878 N GLN A 60 0.211 5.741 -4.946 1.00 0.00 N ATOM 879 CA GLN A 60 0.322 4.974 -6.182 1.00 0.00 C ATOM 880 C GLN A 60 1.184 3.733 -5.977 1.00 0.00 C ATOM 881 O GLN A 60 1.923 3.633 -4.998 1.00 0.00 O ATOM 882 CB GLN A 60 0.914 5.842 -7.293 1.00 0.00 C ATOM 883 CG GLN A 60 0.016 6.998 -7.706 1.00 0.00 C ATOM 884 CD GLN A 60 -1.326 6.533 -8.236 1.00 0.00 C ATOM 885 OE1 GLN A 60 -2.253 6.245 -7.329 1.00 0.00 O flip ATOM 886 NE2 GLN A 60 -1.529 6.434 -9.446 1.00 0.00 N flip ATOM 0 H GLN A 60 1.083 6.169 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.679 4.655 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.873 6.239 -6.961 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.112 5.217 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.143 7.654 -6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.520 7.589 -8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.788 6.666 -10.108 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.438 6.120 -9.787 1.00 0.00 H new ATOM 895 N ALA A 61 1.083 2.789 -6.907 1.00 0.00 N ATOM 896 CA ALA A 61 1.854 1.554 -6.829 1.00 0.00 C ATOM 897 C ALA A 61 2.184 1.024 -8.220 1.00 0.00 C ATOM 898 O ALA A 61 1.563 1.417 -9.207 1.00 0.00 O ATOM 899 CB ALA A 61 1.094 0.506 -6.030 1.00 0.00 C ATOM 0 H ALA A 61 0.475 2.856 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 61 2.793 1.773 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.682 -0.411 -5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.915 0.877 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.140 0.299 -6.515 1.00 0.00 H new ATOM 905 N ALA A 62 3.166 0.132 -8.290 1.00 0.00 N ATOM 906 CA ALA A 62 3.578 -0.452 -9.561 1.00 0.00 C ATOM 907 C ALA A 62 4.043 -1.893 -9.378 1.00 0.00 C ATOM 908 O ALA A 62 4.649 -2.236 -8.362 1.00 0.00 O ATOM 909 CB ALA A 62 4.680 0.384 -10.194 1.00 0.00 C ATOM 0 H ALA A 62 3.691 -0.202 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 62 2.715 -0.458 -10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.978 -0.064 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.314 1.396 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.539 0.420 -9.524 1.00 0.00 H new ATOM 915 N VAL A 63 3.756 -2.733 -10.367 1.00 0.00 N ATOM 916 CA VAL A 63 4.146 -4.137 -10.315 1.00 0.00 C ATOM 917 C VAL A 63 4.654 -4.617 -11.670 1.00 0.00 C ATOM 918 O VAL A 63 4.207 -4.164 -12.724 1.00 0.00 O ATOM 919 CB VAL A 63 2.971 -5.030 -9.873 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.479 -4.622 -8.493 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.842 -4.965 -10.891 1.00 0.00 C ATOM 0 H VAL A 63 3.255 -2.466 -11.214 1.00 0.00 H new ATOM 0 HA VAL A 63 4.948 -4.216 -9.581 1.00 0.00 H new ATOM 0 HB VAL A 63 3.321 -6.061 -9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.649 -5.264 -8.198 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.291 -4.724 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.144 -3.585 -8.518 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.020 -5.601 -10.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.492 -3.937 -10.980 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.205 -5.310 -11.859 1.00 0.00 H new ATOM 931 N PRO A 64 5.610 -5.557 -11.644 1.00 0.00 N ATOM 932 CA PRO A 64 6.199 -6.121 -12.862 1.00 0.00 C ATOM 933 C PRO A 64 5.217 -7.002 -13.627 1.00 0.00 C ATOM 934 O PRO A 64 4.329 -7.617 -13.037 1.00 0.00 O ATOM 935 CB PRO A 64 7.369 -6.956 -12.336 1.00 0.00 C ATOM 936 CG PRO A 64 6.986 -7.309 -10.940 1.00 0.00 C ATOM 937 CD PRO A 64 6.189 -6.143 -10.423 1.00 0.00 C ATOM 0 HA PRO A 64 6.494 -5.346 -13.569 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.522 -7.849 -12.942 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.301 -6.391 -12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.397 -8.226 -10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.869 -7.482 -10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.415 -6.463 -9.725 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.819 -5.428 -9.894 1.00 0.00 H new ATOM 945 N LYS A 65 5.383 -7.058 -14.944 1.00 0.00 N ATOM 946 CA LYS A 65 4.512 -7.865 -15.791 1.00 0.00 C ATOM 947 C LYS A 65 4.125 -9.164 -15.092 1.00 0.00 C ATOM 948 O LYS A 65 2.952 -9.537 -15.060 1.00 0.00 O ATOM 949 CB LYS A 65 5.204 -8.175 -17.120 1.00 0.00 C ATOM 950 CG LYS A 65 4.254 -8.658 -18.203 1.00 0.00 C ATOM 951 CD LYS A 65 5.009 -9.207 -19.402 1.00 0.00 C ATOM 952 CE LYS A 65 4.077 -9.926 -20.365 1.00 0.00 C ATOM 953 NZ LYS A 65 3.674 -11.265 -19.852 1.00 0.00 N ATOM 0 H LYS A 65 6.113 -6.554 -15.448 1.00 0.00 H new ATOM 0 HA LYS A 65 3.604 -7.293 -15.985 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.716 -7.279 -17.471 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.968 -8.934 -16.954 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.601 -9.431 -17.798 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.614 -7.835 -18.521 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.512 -8.391 -19.921 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.784 -9.894 -19.062 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.188 -9.318 -20.531 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.570 -10.040 -21.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.152 -11.777 -20.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.523 -11.806 -19.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.065 -11.148 -19.017 1.00 0.00 H new ATOM 967 N SER A 66 5.117 -9.848 -14.533 1.00 0.00 N ATOM 968 CA SER A 66 4.880 -11.107 -13.836 1.00 0.00 C ATOM 969 C SER A 66 3.609 -11.032 -12.996 1.00 0.00 C ATOM 970 O SER A 66 2.763 -11.926 -13.047 1.00 0.00 O ATOM 971 CB SER A 66 6.074 -11.454 -12.945 1.00 0.00 C ATOM 972 OG SER A 66 7.275 -11.500 -13.696 1.00 0.00 O ATOM 0 H SER A 66 6.093 -9.552 -14.549 1.00 0.00 H new ATOM 0 HA SER A 66 4.755 -11.890 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.166 -10.713 -12.151 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.905 -12.418 -12.464 1.00 0.00 H new ATOM 0 HG SER A 66 8.023 -11.722 -13.103 1.00 0.00 H new ATOM 978 N LEU A 67 3.481 -9.959 -12.223 1.00 0.00 N ATOM 979 CA LEU A 67 2.313 -9.765 -11.370 1.00 0.00 C ATOM 980 C LEU A 67 1.386 -8.703 -11.951 1.00 0.00 C ATOM 981 O LEU A 67 1.734 -8.022 -12.915 1.00 0.00 O ATOM 982 CB LEU A 67 2.748 -9.364 -9.960 1.00 0.00 C ATOM 983 CG LEU A 67 4.081 -9.939 -9.479 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.741 -8.996 -8.486 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.876 -11.313 -8.858 1.00 0.00 C ATOM 0 H LEU A 67 4.171 -9.210 -12.169 1.00 0.00 H new ATOM 0 HA LEU A 67 1.768 -10.708 -11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.807 -8.277 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.970 -9.670 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 67 4.741 -10.047 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.688 -9.421 -8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.923 -8.033 -8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.086 -8.856 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.835 -11.707 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.199 -11.231 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.447 -11.987 -9.599 1.00 0.00 H new ATOM 997 N GLN A 68 0.206 -8.565 -11.355 1.00 0.00 N ATOM 998 CA GLN A 68 -0.771 -7.584 -11.812 1.00 0.00 C ATOM 999 C GLN A 68 -1.130 -6.611 -10.694 1.00 0.00 C ATOM 1000 O GLN A 68 -0.837 -6.858 -9.524 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.032 -8.285 -12.318 1.00 0.00 C ATOM 1002 CG GLN A 68 -2.783 -7.497 -13.379 1.00 0.00 C ATOM 1003 CD GLN A 68 -3.666 -8.376 -14.244 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -3.470 -8.472 -15.455 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -4.645 -9.024 -13.624 1.00 0.00 N ATOM 0 H GLN A 68 -0.097 -9.120 -10.555 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.325 -7.020 -12.631 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.758 -9.258 -12.726 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.698 -8.469 -11.475 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.396 -6.737 -12.895 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.067 -6.973 -14.012 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.771 -8.915 -12.618 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.271 -9.631 -14.154 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.765 -5.503 -11.062 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.164 -4.492 -10.089 1.00 0.00 C ATOM 1016 C LEU A 69 -3.527 -3.905 -10.442 1.00 0.00 C ATOM 1017 O LEU A 69 -3.797 -3.592 -11.601 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.118 -3.378 -10.024 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.362 -2.287 -8.981 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -1.137 -2.830 -7.578 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.463 -1.088 -9.241 1.00 0.00 C ATOM 0 H LEU A 69 -2.014 -5.282 -12.026 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.237 -4.971 -9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.146 -3.831 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.057 -2.907 -11.005 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.399 -1.961 -9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.315 -2.039 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.824 -3.656 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.110 -3.184 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.651 -0.322 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.581 -1.398 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.673 -0.683 -10.231 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.381 -3.757 -9.434 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.715 -3.206 -9.639 1.00 0.00 C ATOM 1035 C GLN A 70 -6.060 -2.196 -8.549 1.00 0.00 C ATOM 1036 O GLN A 70 -6.203 -2.553 -7.379 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.755 -4.327 -9.659 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.179 -3.833 -9.860 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.353 -3.068 -11.158 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.203 -1.750 -11.093 1.00 0.00 O flip ATOM 1041 NE2 GLN A 70 -8.619 -3.655 -12.207 1.00 0.00 N flip ATOM 0 H GLN A 70 -4.173 -4.011 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.725 -2.693 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.506 -5.028 -10.456 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.700 -4.879 -8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.860 -4.684 -9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.459 -3.192 -9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.725 -4.669 -12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.733 -3.127 -13.072 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.192 -0.933 -8.940 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.520 0.130 -7.997 1.00 0.00 C ATOM 1052 C LEU A 71 -8.014 0.141 -7.687 1.00 0.00 C ATOM 1053 O LEU A 71 -8.839 0.345 -8.577 1.00 0.00 O ATOM 1054 CB LEU A 71 -6.093 1.487 -8.559 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.872 2.599 -7.532 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.843 3.597 -8.040 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.184 3.299 -7.213 1.00 0.00 C ATOM 0 H LEU A 71 -6.077 -0.620 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.977 -0.059 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.169 1.351 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.852 1.820 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.491 2.150 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.699 4.381 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.897 3.086 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.195 4.041 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.007 4.087 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.594 3.735 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.892 2.577 -6.806 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.352 -0.076 -6.420 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.746 -0.089 -5.994 1.00 0.00 C ATOM 1071 C GLN A 72 -10.151 1.263 -5.414 1.00 0.00 C ATOM 1072 O GLN A 72 -9.325 1.978 -4.849 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.974 -1.191 -4.957 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.360 -1.161 -4.333 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.431 -1.691 -5.265 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -12.205 -2.880 -5.812 1.00 0.00 O flip ATOM 1077 NE2 GLN A 72 -13.452 -1.041 -5.490 1.00 0.00 N flip ATOM 0 H GLN A 72 -7.680 -0.245 -5.671 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.365 -0.289 -6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.818 -2.161 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.227 -1.097 -4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.355 -1.753 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.605 -0.137 -4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.585 -0.131 -5.048 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.165 -1.412 -6.118 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.426 1.605 -5.559 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.941 2.870 -5.049 1.00 0.00 C ATOM 1088 C ALA A 73 -11.578 3.057 -3.579 1.00 0.00 C ATOM 1089 O ALA A 73 -11.935 2.251 -2.720 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.449 2.940 -5.235 1.00 0.00 C ATOM 0 H ALA A 73 -12.122 1.024 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.479 3.678 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.819 3.890 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.689 2.860 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.921 2.120 -4.694 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.851 4.144 -3.282 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.424 4.462 -1.916 1.00 0.00 C ATOM 1098 C PRO A 74 -11.590 4.878 -1.027 1.00 0.00 C ATOM 1099 O PRO A 74 -12.751 4.797 -1.429 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.456 5.631 -2.110 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.879 6.265 -3.391 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.390 5.147 -4.257 1.00 0.00 C ATOM 0 HA PRO A 74 -9.979 3.601 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.516 6.336 -1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.423 5.286 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.654 7.012 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.043 6.777 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.201 5.479 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.607 4.749 -4.903 1.00 0.00 H new ATOM 1110 N SER A 75 -11.274 5.324 0.185 1.00 0.00 N ATOM 1111 CA SER A 75 -12.297 5.750 1.133 1.00 0.00 C ATOM 1112 C SER A 75 -12.370 7.272 1.206 1.00 0.00 C ATOM 1113 O SER A 75 -13.445 7.846 1.373 1.00 0.00 O ATOM 1114 CB SER A 75 -12.007 5.175 2.521 1.00 0.00 C ATOM 1115 OG SER A 75 -13.137 5.293 3.369 1.00 0.00 O ATOM 0 H SER A 75 -10.318 5.400 0.533 1.00 0.00 H new ATOM 0 HA SER A 75 -13.259 5.374 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.724 4.126 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.159 5.698 2.965 1.00 0.00 H new ATOM 0 HG SER A 75 -12.926 4.917 4.249 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.216 7.921 1.080 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.169 9.370 1.135 1.00 0.00 C ATOM 1123 C GLY A 76 -9.757 9.909 1.030 1.00 0.00 C ATOM 1124 O GLY A 76 -8.789 9.163 1.168 1.00 0.00 O ATOM 0 H GLY A 76 -10.313 7.468 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.772 9.781 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.616 9.710 2.070 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.638 11.210 0.783 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.333 11.848 0.657 1.00 0.00 C ATOM 1130 C ASN A 77 -8.120 12.874 1.766 1.00 0.00 C ATOM 1131 O ASN A 77 -7.598 13.964 1.528 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.202 12.524 -0.710 1.00 0.00 C ATOM 1133 CG ASN A 77 -8.167 11.523 -1.849 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -8.592 10.378 -1.697 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -7.657 11.952 -2.997 1.00 0.00 N ATOM 0 H ASN A 77 -10.430 11.843 0.666 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.569 11.076 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.039 13.207 -0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.293 13.125 -0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.606 11.324 -3.799 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.316 12.910 -3.077 1.00 0.00 H new ATOM 1142 N THR A 78 -8.525 12.517 2.981 1.00 0.00 N ATOM 1143 CA THR A 78 -8.380 13.405 4.127 1.00 0.00 C ATOM 1144 C THR A 78 -8.075 12.618 5.397 1.00 0.00 C ATOM 1145 O THR A 78 -8.701 11.594 5.670 1.00 0.00 O ATOM 1146 CB THR A 78 -9.650 14.246 4.351 1.00 0.00 C ATOM 1147 OG1 THR A 78 -9.924 15.038 3.189 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.492 15.153 5.562 1.00 0.00 C ATOM 0 H THR A 78 -8.956 11.618 3.196 1.00 0.00 H new ATOM 0 HA THR A 78 -7.546 14.072 3.906 1.00 0.00 H new ATOM 0 HB THR A 78 -10.482 13.566 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.734 15.569 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.402 15.737 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.312 14.547 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.649 15.826 5.405 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.109 13.103 6.170 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.722 12.446 7.413 1.00 0.00 C ATOM 1158 C VAL A 79 -6.711 13.432 8.576 1.00 0.00 C ATOM 1159 O VAL A 79 -6.085 14.490 8.519 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.332 11.794 7.294 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.003 11.004 8.552 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.265 10.903 6.063 1.00 0.00 C ATOM 0 H VAL A 79 -6.580 13.949 5.958 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.464 11.671 7.605 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.588 12.583 7.184 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.017 10.551 8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.007 11.672 9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.749 10.222 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.276 10.451 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.018 10.119 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.453 11.500 5.171 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.420 13.078 9.658 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.507 13.918 10.856 1.00 0.00 C ATOM 1174 C PRO A 80 -6.188 13.978 11.619 1.00 0.00 C ATOM 1175 O PRO A 80 -5.472 12.982 11.719 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.581 13.224 11.699 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.549 11.802 11.256 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.191 11.831 9.796 1.00 0.00 C ATOM 0 HA PRO A 80 -7.741 14.954 10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.367 13.312 12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.563 13.668 11.534 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.816 11.232 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.516 11.323 11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.601 10.960 9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.079 11.836 9.165 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.874 15.152 12.157 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.642 15.341 12.913 1.00 0.00 C ATOM 1188 C ALA A 81 -4.711 14.631 14.261 1.00 0.00 C ATOM 1189 O ALA A 81 -3.738 14.615 15.015 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.365 16.824 13.109 1.00 0.00 C ATOM 0 H ALA A 81 -6.456 15.987 12.083 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.824 14.902 12.342 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.442 16.950 13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.263 17.307 12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.191 17.279 13.656 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.866 14.045 14.557 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.062 13.335 15.816 1.00 0.00 C ATOM 1198 C ARG A 82 -6.250 11.840 15.573 1.00 0.00 C ATOM 1199 O ARG A 82 -6.754 11.120 16.433 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.274 13.898 16.560 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.205 15.399 16.789 1.00 0.00 C ATOM 1202 CD ARG A 82 -5.833 15.823 17.289 1.00 0.00 C ATOM 1203 NE ARG A 82 -5.901 17.020 18.124 1.00 0.00 N ATOM 1204 CZ ARG A 82 -6.370 17.023 19.367 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -6.809 15.899 19.916 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -6.399 18.152 20.063 1.00 0.00 N ATOM 0 H ARG A 82 -6.680 14.047 13.943 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.171 13.477 16.427 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.177 13.666 15.994 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.364 13.396 17.523 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.432 15.921 15.859 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.964 15.693 17.513 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.387 15.008 17.859 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.179 16.011 16.438 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.570 17.901 17.731 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.787 15.029 19.384 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.169 15.904 20.871 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.061 19.018 19.644 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.759 18.154 21.017 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.841 11.381 14.394 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.973 9.975 14.059 1.00 0.00 C ATOM 1222 C GLY A 83 -7.332 9.643 13.476 1.00 0.00 C ATOM 1223 O GLY A 83 -7.429 9.121 12.366 1.00 0.00 O ATOM 0 H GLY A 83 -5.421 11.958 13.665 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.197 9.701 13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.808 9.375 14.954 1.00 0.00 H new ATOM 1227 N GLY A 84 -8.387 9.946 14.227 1.00 0.00 N ATOM 1228 CA GLY A 84 -9.733 9.668 13.762 1.00 0.00 C ATOM 1229 C GLY A 84 -9.826 8.357 13.007 1.00 0.00 C ATOM 1230 O GLY A 84 -9.919 7.288 13.613 1.00 0.00 O ATOM 0 H GLY A 84 -8.333 10.379 15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.411 9.641 14.615 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.066 10.480 13.116 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.804 8.436 11.682 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.889 7.246 10.842 1.00 0.00 C ATOM 1236 C LEU A 85 -8.945 7.354 9.649 1.00 0.00 C ATOM 1237 O LEU A 85 -9.066 8.246 8.809 1.00 0.00 O ATOM 1238 CB LEU A 85 -11.324 7.043 10.355 1.00 0.00 C ATOM 1239 CG LEU A 85 -12.417 7.159 11.419 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.797 8.615 11.636 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.637 6.341 11.022 1.00 0.00 C ATOM 0 H LEU A 85 -9.728 9.312 11.165 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.591 6.386 11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.528 7.774 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.395 6.057 9.896 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.028 6.762 12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.576 8.678 12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.921 9.174 11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -13.167 9.038 10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -14.404 6.435 11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.027 6.707 10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.355 5.293 10.918 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.984 6.422 9.568 1.00 0.00 N ATOM 1254 CA PRO A 86 -7.002 6.389 8.480 1.00 0.00 C ATOM 1255 C PRO A 86 -7.629 5.997 7.146 1.00 0.00 C ATOM 1256 O PRO A 86 -8.818 5.685 7.076 1.00 0.00 O ATOM 1257 CB PRO A 86 -6.004 5.321 8.935 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.783 4.438 9.847 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.781 5.328 10.534 1.00 0.00 C ATOM 0 HA PRO A 86 -6.552 7.367 8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.608 4.763 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.153 5.768 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.285 3.647 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.130 3.952 10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.711 4.801 10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.401 5.698 11.486 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.822 6.016 6.091 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.299 5.661 4.759 1.00 0.00 C ATOM 1269 C ILE A 87 -6.815 4.273 4.354 1.00 0.00 C ATOM 1270 O ILE A 87 -5.631 3.957 4.470 1.00 0.00 O ATOM 1271 CB ILE A 87 -6.833 6.682 3.704 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.396 8.069 4.022 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.259 6.238 2.313 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -6.654 9.194 3.336 1.00 0.00 C ATOM 0 H ILE A 87 -5.836 6.273 6.132 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.388 5.666 4.802 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.745 6.737 3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.445 8.103 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.363 8.227 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.922 6.970 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.815 5.268 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.345 6.158 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.108 10.147 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.610 9.186 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.709 9.060 2.256 1.00 0.00 H new ATOM 1286 N THR A 88 -7.741 3.446 3.878 1.00 0.00 N ATOM 1287 CA THR A 88 -7.410 2.091 3.454 1.00 0.00 C ATOM 1288 C THR A 88 -7.759 1.873 1.987 1.00 0.00 C ATOM 1289 O THR A 88 -8.799 2.328 1.513 1.00 0.00 O ATOM 1290 CB THR A 88 -8.146 1.040 4.307 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.559 1.261 4.243 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.683 1.098 5.755 1.00 0.00 C ATOM 0 H THR A 88 -8.726 3.691 3.777 1.00 0.00 H new ATOM 0 HA THR A 88 -6.335 1.971 3.590 1.00 0.00 H new ATOM 0 HB THR A 88 -7.915 0.052 3.908 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.020 0.588 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.216 0.347 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.612 0.901 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.888 2.088 6.163 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.882 1.174 1.272 1.00 0.00 N ATOM 1301 CA GLN A 89 -7.099 0.896 -0.142 1.00 0.00 C ATOM 1302 C GLN A 89 -6.916 -0.589 -0.440 1.00 0.00 C ATOM 1303 O GLN A 89 -6.223 -1.298 0.290 1.00 0.00 O ATOM 1304 CB GLN A 89 -6.139 1.722 -0.999 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.535 3.184 -1.120 1.00 0.00 C ATOM 1306 CD GLN A 89 -6.094 3.802 -2.432 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -7.009 3.869 -3.393 1.00 0.00 O flip ATOM 1308 NE2 GLN A 89 -4.944 4.215 -2.582 1.00 0.00 N flip ATOM 0 H GLN A 89 -6.015 0.791 1.649 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.124 1.173 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.138 1.660 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.087 1.285 -1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.617 3.272 -1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.098 3.744 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.273 4.144 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.662 4.628 -3.471 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.542 -1.053 -1.516 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.449 -2.454 -1.910 1.00 0.00 C ATOM 1319 C LEU A 90 -6.678 -2.602 -3.218 1.00 0.00 C ATOM 1320 O LEU A 90 -6.845 -1.805 -4.142 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.847 -3.058 -2.057 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.934 -4.365 -2.845 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -8.261 -5.495 -2.081 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.385 -4.712 -3.144 1.00 0.00 C ATOM 0 H LEU A 90 -8.119 -0.479 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.909 -2.990 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.253 -3.230 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.490 -2.322 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.410 -4.231 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.333 -6.417 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.211 -5.250 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.756 -5.629 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.428 -5.645 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.932 -4.826 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.836 -3.913 -3.733 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.836 -3.627 -3.291 1.00 0.00 N ATOM 1337 CA PHE A 91 -5.041 -3.880 -4.486 1.00 0.00 C ATOM 1338 C PHE A 91 -4.988 -5.372 -4.799 1.00 0.00 C ATOM 1339 O PHE A 91 -4.457 -6.163 -4.019 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.622 -3.335 -4.306 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.580 -1.871 -3.973 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.807 -1.434 -2.678 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.313 -0.931 -4.956 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.770 -0.088 -2.370 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.275 0.417 -4.653 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.502 0.839 -3.358 1.00 0.00 C ATOM 0 H PHE A 91 -5.687 -4.296 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.516 -3.368 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.124 -3.894 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.056 -3.508 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.015 -2.154 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.133 -1.256 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.951 0.239 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.068 1.140 -5.428 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.470 1.892 -3.118 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.543 -5.751 -5.946 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.562 -7.148 -6.361 1.00 0.00 C ATOM 1358 C ARG A 92 -4.342 -7.477 -7.217 1.00 0.00 C ATOM 1359 O ARG A 92 -4.185 -6.951 -8.319 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.842 -7.453 -7.141 1.00 0.00 C ATOM 1361 CG ARG A 92 -8.019 -7.831 -6.256 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.182 -8.369 -7.074 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.602 -7.431 -8.112 1.00 0.00 N ATOM 1364 CZ ARG A 92 -10.647 -7.633 -8.906 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -11.375 -8.734 -8.782 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -10.966 -6.732 -9.827 1.00 0.00 N ATOM 0 H ARG A 92 -5.985 -5.110 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.534 -7.768 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.111 -6.581 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.647 -8.267 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.704 -8.582 -5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.344 -6.959 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.895 -9.314 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.023 -8.579 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.063 -6.574 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.133 -9.429 -8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.177 -8.887 -9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.408 -5.884 -9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.769 -6.888 -10.437 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.482 -8.349 -6.702 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.278 -8.748 -7.419 1.00 0.00 C ATOM 1382 C ILE A 93 -2.282 -10.245 -7.711 1.00 0.00 C ATOM 1383 O ILE A 93 -2.744 -11.046 -6.897 1.00 0.00 O ATOM 1384 CB ILE A 93 -1.007 -8.394 -6.625 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.832 -6.876 -6.549 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.214 -9.042 -7.262 1.00 0.00 C ATOM 1387 CD1 ILE A 93 -0.115 -6.412 -5.301 1.00 0.00 C ATOM 0 H ILE A 93 -3.597 -8.793 -5.791 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.274 -8.197 -8.360 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.112 -8.780 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.277 -6.538 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.813 -6.403 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.104 -8.782 -6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.090 -10.125 -7.268 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.324 -8.684 -8.286 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.027 -5.326 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.680 -6.719 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.880 -6.856 -5.266 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.762 -10.616 -8.876 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.704 -12.018 -9.275 1.00 0.00 C ATOM 1401 C LEU A 94 -0.264 -12.524 -9.278 1.00 0.00 C ATOM 1402 O LEU A 94 0.609 -11.935 -9.913 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.323 -12.200 -10.661 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.820 -12.512 -10.692 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.076 -13.943 -10.245 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.587 -11.532 -9.816 1.00 0.00 C ATOM 0 H LEU A 94 -1.375 -9.966 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.273 -12.600 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.150 -11.291 -11.237 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.794 -13.005 -11.170 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.173 -12.405 -11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.146 -14.147 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.558 -14.631 -10.913 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.708 -14.078 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.650 -11.769 -9.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.231 -11.607 -8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.430 -10.517 -10.181 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.026 -13.619 -8.565 1.00 0.00 N ATOM 1419 CA ASN A 95 1.307 -14.206 -8.486 1.00 0.00 C ATOM 1420 C ASN A 95 1.255 -15.710 -8.737 1.00 0.00 C ATOM 1421 O ASN A 95 1.881 -16.503 -8.034 1.00 0.00 O ATOM 1422 CB ASN A 95 1.930 -13.927 -7.117 1.00 0.00 C ATOM 1423 CG ASN A 95 3.273 -14.609 -6.943 1.00 0.00 C ATOM 1424 OD1 ASN A 95 4.233 -14.249 -7.786 1.00 0.00 O flip ATOM 1425 ND2 ASN A 95 3.444 -15.450 -6.060 1.00 0.00 N flip ATOM 0 H ASN A 95 -0.739 -14.119 -8.033 1.00 0.00 H new ATOM 0 HA ASN A 95 1.925 -13.748 -9.259 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.053 -12.851 -6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.250 -14.266 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.677 -15.696 -5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.353 -15.901 -5.954 1.00 0.00 H new ATOM 1432 N PRO A 96 0.492 -16.113 -9.764 1.00 0.00 N ATOM 1433 CA PRO A 96 0.341 -17.523 -10.132 1.00 0.00 C ATOM 1434 C PRO A 96 1.619 -18.108 -10.725 1.00 0.00 C ATOM 1435 O PRO A 96 1.800 -19.324 -10.756 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.773 -17.499 -11.182 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.715 -16.129 -11.763 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.282 -15.222 -10.644 1.00 0.00 C ATOM 0 HA PRO A 96 0.117 -18.148 -9.267 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.614 -18.260 -11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.746 -17.698 -10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.011 -16.087 -12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.687 -15.829 -12.154 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.324 -14.393 -11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.136 -14.788 -10.125 1.00 0.00 H new ATOM 1446 N ASN A 97 2.502 -17.232 -11.195 1.00 0.00 N ATOM 1447 CA ASN A 97 3.763 -17.662 -11.787 1.00 0.00 C ATOM 1448 C ASN A 97 4.777 -18.023 -10.706 1.00 0.00 C ATOM 1449 O ASN A 97 5.958 -18.228 -10.989 1.00 0.00 O ATOM 1450 CB ASN A 97 4.330 -16.561 -12.686 1.00 0.00 C ATOM 1451 CG ASN A 97 3.734 -16.589 -14.080 1.00 0.00 C ATOM 1452 OD1 ASN A 97 4.452 -16.726 -15.071 1.00 0.00 O ATOM 1453 ND2 ASN A 97 2.415 -16.459 -14.163 1.00 0.00 N ATOM 0 H ASN A 97 2.367 -16.221 -11.177 1.00 0.00 H new ATOM 0 HA ASN A 97 3.569 -18.550 -12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.138 -15.589 -12.231 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.412 -16.673 -12.754 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.958 -16.470 -15.075 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.859 -16.348 -13.315 1.00 0.00 H new ATOM 1460 N LYS A 98 4.308 -18.100 -9.465 1.00 0.00 N ATOM 1461 CA LYS A 98 5.172 -18.438 -8.340 1.00 0.00 C ATOM 1462 C LYS A 98 6.477 -17.652 -8.400 1.00 0.00 C ATOM 1463 O LYS A 98 7.552 -18.195 -8.145 1.00 0.00 O ATOM 1464 CB LYS A 98 5.468 -19.940 -8.331 1.00 0.00 C ATOM 1465 CG LYS A 98 4.255 -20.797 -8.014 1.00 0.00 C ATOM 1466 CD LYS A 98 4.660 -22.158 -7.472 1.00 0.00 C ATOM 1467 CE LYS A 98 3.583 -22.743 -6.573 1.00 0.00 C ATOM 1468 NZ LYS A 98 2.580 -23.526 -7.346 1.00 0.00 N ATOM 0 H LYS A 98 3.334 -17.933 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 98 4.650 -18.171 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.863 -20.230 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.248 -20.144 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.628 -20.286 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.655 -20.927 -8.915 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.852 -22.839 -8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.591 -22.066 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.045 -23.385 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.080 -21.938 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.863 -23.908 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.120 -22.908 -8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.055 -24.310 -7.837 1.00 0.00 H new ATOM 1482 N ALA A 99 6.376 -16.371 -8.739 1.00 0.00 N ATOM 1483 CA ALA A 99 7.549 -15.510 -8.829 1.00 0.00 C ATOM 1484 C ALA A 99 7.485 -14.386 -7.801 1.00 0.00 C ATOM 1485 O ALA A 99 6.746 -13.413 -7.954 1.00 0.00 O ATOM 1486 CB ALA A 99 7.676 -14.937 -10.233 1.00 0.00 C ATOM 0 H ALA A 99 5.494 -15.907 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 99 8.430 -16.114 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.556 -14.296 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.776 -15.751 -10.951 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.787 -14.353 -10.469 1.00 0.00 H new ATOM 1492 N PRO A 100 8.277 -14.520 -6.727 1.00 0.00 N ATOM 1493 CA PRO A 100 8.328 -13.525 -5.652 1.00 0.00 C ATOM 1494 C PRO A 100 8.987 -12.224 -6.097 1.00 0.00 C ATOM 1495 O PRO A 100 10.165 -11.987 -5.825 1.00 0.00 O ATOM 1496 CB PRO A 100 9.172 -14.210 -4.574 1.00 0.00 C ATOM 1497 CG PRO A 100 10.016 -15.186 -5.317 1.00 0.00 C ATOM 1498 CD PRO A 100 9.184 -15.653 -6.479 1.00 0.00 C ATOM 0 HA PRO A 100 7.332 -13.238 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.784 -13.489 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.543 -14.710 -3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.940 -14.721 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.299 -16.023 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.800 -15.873 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.634 -16.563 -6.239 1.00 0.00 H new ATOM 1506 N LEU A 101 8.221 -11.382 -6.782 1.00 0.00 N ATOM 1507 CA LEU A 101 8.730 -10.103 -7.265 1.00 0.00 C ATOM 1508 C LEU A 101 8.611 -9.028 -6.189 1.00 0.00 C ATOM 1509 O LEU A 101 8.215 -9.310 -5.058 1.00 0.00 O ATOM 1510 CB LEU A 101 7.971 -9.671 -8.521 1.00 0.00 C ATOM 1511 CG LEU A 101 8.556 -10.140 -9.853 1.00 0.00 C ATOM 1512 CD1 LEU A 101 9.831 -9.377 -10.175 1.00 0.00 C ATOM 1513 CD2 LEU A 101 8.821 -11.638 -9.822 1.00 0.00 C ATOM 0 H LEU A 101 7.245 -11.562 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 101 9.784 -10.229 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.947 -10.038 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.919 -8.582 -8.533 1.00 0.00 H new ATOM 0 HG LEU A 101 7.828 -9.937 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.233 -9.725 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.610 -8.312 -10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.565 -9.547 -9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.237 -11.954 -10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.529 -11.866 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.887 -12.169 -9.640 1.00 0.00 H new ATOM 1525 N ARG A 102 8.955 -7.797 -6.551 1.00 0.00 N ATOM 1526 CA ARG A 102 8.886 -6.679 -5.617 1.00 0.00 C ATOM 1527 C ARG A 102 7.718 -5.758 -5.957 1.00 0.00 C ATOM 1528 O ARG A 102 7.097 -5.889 -7.012 1.00 0.00 O ATOM 1529 CB ARG A 102 10.195 -5.889 -5.636 1.00 0.00 C ATOM 1530 CG ARG A 102 10.373 -5.036 -6.881 1.00 0.00 C ATOM 1531 CD ARG A 102 11.841 -4.887 -7.250 1.00 0.00 C ATOM 1532 NE ARG A 102 12.111 -3.621 -7.925 1.00 0.00 N ATOM 1533 CZ ARG A 102 12.371 -2.487 -7.284 1.00 0.00 C ATOM 1534 NH1 ARG A 102 12.396 -2.462 -5.958 1.00 0.00 N ATOM 1535 NH2 ARG A 102 12.606 -1.375 -7.968 1.00 0.00 N ATOM 0 H ARG A 102 9.284 -7.548 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 102 8.729 -7.083 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.234 -5.246 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.031 -6.585 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.832 -5.487 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.937 -4.051 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.450 -4.954 -6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.138 -5.713 -7.897 1.00 0.00 H new ATOM 0 HE ARG A 102 12.099 -3.606 -8.945 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.215 -3.315 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.596 -1.590 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.587 -1.390 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.805 -0.505 -7.474 1.00 0.00 H new ATOM 1549 N LEU A 103 7.424 -4.827 -5.056 1.00 0.00 N ATOM 1550 CA LEU A 103 6.330 -3.883 -5.260 1.00 0.00 C ATOM 1551 C LEU A 103 6.802 -2.448 -5.048 1.00 0.00 C ATOM 1552 O LEU A 103 7.699 -2.190 -4.245 1.00 0.00 O ATOM 1553 CB LEU A 103 5.175 -4.198 -4.308 1.00 0.00 C ATOM 1554 CG LEU A 103 4.044 -3.169 -4.261 1.00 0.00 C ATOM 1555 CD1 LEU A 103 2.975 -3.504 -5.290 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.442 -3.102 -2.865 1.00 0.00 C ATOM 0 H LEU A 103 7.928 -4.705 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 103 5.983 -3.983 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.751 -5.162 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.580 -4.310 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 103 4.458 -2.190 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.179 -2.761 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.416 -3.500 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.564 -4.491 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.639 -2.365 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.043 -4.079 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.213 -2.814 -2.150 1.00 0.00 H new ATOM 1568 N LYS A 104 6.191 -1.517 -5.772 1.00 0.00 N ATOM 1569 CA LYS A 104 6.545 -0.107 -5.661 1.00 0.00 C ATOM 1570 C LYS A 104 5.450 0.674 -4.941 1.00 0.00 C ATOM 1571 O LYS A 104 4.262 0.489 -5.209 1.00 0.00 O ATOM 1572 CB LYS A 104 6.783 0.491 -7.050 1.00 0.00 C ATOM 1573 CG LYS A 104 7.296 1.920 -7.017 1.00 0.00 C ATOM 1574 CD LYS A 104 7.457 2.487 -8.418 1.00 0.00 C ATOM 1575 CE LYS A 104 6.186 3.177 -8.890 1.00 0.00 C ATOM 1576 NZ LYS A 104 6.288 3.617 -10.309 1.00 0.00 N ATOM 0 H LYS A 104 5.448 -1.713 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 104 7.463 -0.033 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.500 -0.131 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.851 0.461 -7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.605 2.543 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.254 1.952 -6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.284 3.197 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.715 1.684 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.341 2.497 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.984 4.040 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.402 4.082 -10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.078 4.286 -10.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.455 2.790 -10.918 1.00 0.00 H new ATOM 1590 N LEU A 105 5.857 1.548 -4.027 1.00 0.00 N ATOM 1591 CA LEU A 105 4.911 2.359 -3.269 1.00 0.00 C ATOM 1592 C LEU A 105 5.284 3.837 -3.336 1.00 0.00 C ATOM 1593 O LEU A 105 6.387 4.227 -2.952 1.00 0.00 O ATOM 1594 CB LEU A 105 4.868 1.898 -1.811 1.00 0.00 C ATOM 1595 CG LEU A 105 4.021 0.658 -1.524 1.00 0.00 C ATOM 1596 CD1 LEU A 105 4.007 0.353 -0.034 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.603 0.848 -2.044 1.00 0.00 C ATOM 0 H LEU A 105 6.836 1.713 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 105 3.924 2.232 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.889 1.700 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.491 2.720 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 105 4.467 -0.190 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.399 -0.533 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.025 0.172 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.586 1.201 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.015 -0.045 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.148 1.708 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.630 1.016 -3.121 1.00 0.00 H new ATOM 1609 N ARG A 106 4.357 4.654 -3.823 1.00 0.00 N ATOM 1610 CA ARG A 106 4.588 6.089 -3.939 1.00 0.00 C ATOM 1611 C ARG A 106 3.566 6.872 -3.121 1.00 0.00 C ATOM 1612 O ARG A 106 2.379 6.543 -3.110 1.00 0.00 O ATOM 1613 CB ARG A 106 4.521 6.521 -5.406 1.00 0.00 C ATOM 1614 CG ARG A 106 4.622 8.024 -5.603 1.00 0.00 C ATOM 1615 CD ARG A 106 4.982 8.375 -7.038 1.00 0.00 C ATOM 1616 NE ARG A 106 3.797 8.542 -7.875 1.00 0.00 N ATOM 1617 CZ ARG A 106 3.844 8.899 -9.153 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.012 9.126 -9.739 1.00 0.00 N ATOM 1619 NH2 ARG A 106 2.722 9.030 -9.849 1.00 0.00 N ATOM 0 H ARG A 106 3.439 4.347 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 106 5.583 6.304 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.327 6.036 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.584 6.169 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.673 8.491 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.375 8.431 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.567 9.295 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.613 7.590 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 106 2.883 8.375 -7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.877 9.026 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.045 9.400 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.822 8.856 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.760 9.304 -10.831 1.00 0.00 H new ATOM 1633 N LEU A 107 4.034 7.909 -2.436 1.00 0.00 N ATOM 1634 CA LEU A 107 3.161 8.740 -1.613 1.00 0.00 C ATOM 1635 C LEU A 107 3.282 10.210 -2.003 1.00 0.00 C ATOM 1636 O LEU A 107 4.383 10.719 -2.215 1.00 0.00 O ATOM 1637 CB LEU A 107 3.504 8.564 -0.132 1.00 0.00 C ATOM 1638 CG LEU A 107 3.331 7.154 0.433 1.00 0.00 C ATOM 1639 CD1 LEU A 107 3.744 7.111 1.896 1.00 0.00 C ATOM 1640 CD2 LEU A 107 1.892 6.685 0.269 1.00 0.00 C ATOM 0 H LEU A 107 5.013 8.195 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 107 2.132 8.422 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.539 8.870 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.882 9.245 0.448 1.00 0.00 H new ATOM 0 HG LEU A 107 3.978 6.478 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.614 6.100 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.790 7.402 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.124 7.800 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.788 5.680 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.225 7.363 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.631 6.676 -0.789 1.00 0.00 H new ATOM 1652 N THR A 108 2.143 10.888 -2.094 1.00 0.00 N ATOM 1653 CA THR A 108 2.120 12.300 -2.456 1.00 0.00 C ATOM 1654 C THR A 108 0.981 13.030 -1.754 1.00 0.00 C ATOM 1655 O THR A 108 -0.184 12.880 -2.121 1.00 0.00 O ATOM 1656 CB THR A 108 1.973 12.486 -3.978 1.00 0.00 C ATOM 1657 OG1 THR A 108 0.843 11.747 -4.456 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.229 12.026 -4.704 1.00 0.00 C ATOM 0 H THR A 108 1.223 10.482 -1.922 1.00 0.00 H new ATOM 0 HA THR A 108 3.071 12.724 -2.135 1.00 0.00 H new ATOM 0 HB THR A 108 1.824 13.547 -4.178 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.129 11.771 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.101 12.167 -5.777 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.083 12.610 -4.360 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.404 10.971 -4.495 1.00 0.00 H new ATOM 1666 N TYR A 109 1.326 13.821 -0.744 1.00 0.00 N ATOM 1667 CA TYR A 109 0.331 14.574 0.010 1.00 0.00 C ATOM 1668 C TYR A 109 0.911 15.894 0.510 1.00 0.00 C ATOM 1669 O TYR A 109 2.083 16.195 0.284 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.176 13.747 1.193 1.00 0.00 C ATOM 1671 CG TYR A 109 0.898 13.412 2.203 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.835 12.419 1.947 1.00 0.00 C ATOM 1673 CD2 TYR A 109 0.975 14.089 3.414 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.818 12.109 2.867 1.00 0.00 C ATOM 1675 CE2 TYR A 109 1.955 13.787 4.339 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.874 12.796 4.062 1.00 0.00 C ATOM 1677 OH TYR A 109 3.851 12.492 4.982 1.00 0.00 O ATOM 0 H TYR A 109 2.286 13.957 -0.429 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.503 14.793 -0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.975 14.295 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.612 12.821 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 109 1.794 11.880 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.256 14.864 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.538 11.334 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.002 14.324 5.275 1.00 0.00 H new ATOM 0 HH TYR A 109 3.751 13.068 5.768 1.00 0.00 H new ATOM 1687 N ASP A 110 0.081 16.676 1.192 1.00 0.00 N ATOM 1688 CA ASP A 110 0.510 17.964 1.726 1.00 0.00 C ATOM 1689 C ASP A 110 0.432 17.973 3.250 1.00 0.00 C ATOM 1690 O ASP A 110 -0.584 17.590 3.832 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.350 19.090 1.152 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.202 19.223 -0.351 1.00 0.00 C ATOM 1693 OD1 ASP A 110 0.941 19.400 -0.821 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -1.230 19.151 -1.057 1.00 0.00 O ATOM 0 H ASP A 110 -0.892 16.441 1.388 1.00 0.00 H new ATOM 0 HA ASP A 110 1.547 18.124 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.396 18.905 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.074 20.032 1.626 1.00 0.00 H new ATOM 1699 N HIS A 111 1.511 18.410 3.890 1.00 0.00 N ATOM 1700 CA HIS A 111 1.565 18.469 5.347 1.00 0.00 C ATOM 1701 C HIS A 111 2.071 19.829 5.818 1.00 0.00 C ATOM 1702 O HIS A 111 3.008 20.386 5.245 1.00 0.00 O ATOM 1703 CB HIS A 111 2.466 17.360 5.890 1.00 0.00 C ATOM 1704 CG HIS A 111 2.124 16.940 7.286 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.952 16.153 8.059 1.00 0.00 N ATOM 1706 CD2 HIS A 111 1.038 17.204 8.049 1.00 0.00 C ATOM 1707 CE1 HIS A 111 2.388 15.949 9.237 1.00 0.00 C ATOM 1708 NE2 HIS A 111 1.226 16.577 9.257 1.00 0.00 N ATOM 0 H HIS A 111 2.360 18.729 3.423 1.00 0.00 H new ATOM 0 HA HIS A 111 0.554 18.326 5.729 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.399 16.494 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.501 17.700 5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.182 17.797 7.762 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.806 15.368 10.046 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.574 16.594 10.042 1.00 0.00 H new ATOM 1716 N PHE A 112 1.446 20.358 6.864 1.00 0.00 N ATOM 1717 CA PHE A 112 1.832 21.653 7.411 1.00 0.00 C ATOM 1718 C PHE A 112 2.103 22.656 6.293 1.00 0.00 C ATOM 1719 O PHE A 112 3.033 23.460 6.377 1.00 0.00 O ATOM 1720 CB PHE A 112 3.073 21.508 8.294 1.00 0.00 C ATOM 1721 CG PHE A 112 2.788 20.888 9.632 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.711 19.511 9.770 1.00 0.00 C ATOM 1723 CD2 PHE A 112 2.595 21.682 10.751 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.449 18.937 10.999 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.334 21.113 11.983 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.259 19.740 12.107 1.00 0.00 C ATOM 0 H PHE A 112 0.670 19.910 7.350 1.00 0.00 H new ATOM 0 HA PHE A 112 1.006 22.025 8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.812 20.901 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.518 22.491 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.858 18.879 8.906 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.649 22.757 10.659 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.393 17.863 11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.189 21.742 12.849 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.052 19.294 13.069 1.00 0.00 H new ATOM 1736 N HIS A 113 1.286 22.603 5.247 1.00 0.00 N ATOM 1737 CA HIS A 113 1.437 23.506 4.111 1.00 0.00 C ATOM 1738 C HIS A 113 2.743 23.235 3.371 1.00 0.00 C ATOM 1739 O HIS A 113 3.460 24.163 2.999 1.00 0.00 O ATOM 1740 CB HIS A 113 1.396 24.961 4.581 1.00 0.00 C ATOM 1741 CG HIS A 113 0.167 25.302 5.366 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -1.026 25.663 4.776 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.050 25.335 6.702 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -1.923 25.904 5.716 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -1.356 25.712 6.893 1.00 0.00 N ATOM 0 H HIS A 113 0.512 21.944 5.162 1.00 0.00 H new ATOM 0 HA HIS A 113 0.608 23.329 3.425 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.275 25.161 5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.456 25.617 3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.670 25.107 7.474 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -2.946 26.207 5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -1.814 25.825 7.797 1.00 0.00 H new ATOM 1753 N GLN A 114 3.045 21.957 3.163 1.00 0.00 N ATOM 1754 CA GLN A 114 4.266 21.565 2.469 1.00 0.00 C ATOM 1755 C GLN A 114 4.033 20.319 1.621 1.00 0.00 C ATOM 1756 O GLN A 114 3.305 19.411 2.021 1.00 0.00 O ATOM 1757 CB GLN A 114 5.390 21.310 3.474 1.00 0.00 C ATOM 1758 CG GLN A 114 5.866 22.566 4.186 1.00 0.00 C ATOM 1759 CD GLN A 114 6.877 22.271 5.276 1.00 0.00 C ATOM 1760 OE1 GLN A 114 7.821 21.506 5.073 1.00 0.00 O ATOM 1761 NE2 GLN A 114 6.685 22.877 6.442 1.00 0.00 N ATOM 0 H GLN A 114 2.462 21.177 3.465 1.00 0.00 H new ATOM 0 HA GLN A 114 4.558 22.382 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.046 20.590 4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.234 20.855 2.955 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.310 23.245 3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.009 23.080 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.889 23.503 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 114 7.333 22.716 7.213 1.00 0.00 H new ATOM 1770 N SER A 115 4.657 20.282 0.448 1.00 0.00 N ATOM 1771 CA SER A 115 4.515 19.149 -0.459 1.00 0.00 C ATOM 1772 C SER A 115 5.478 18.027 -0.081 1.00 0.00 C ATOM 1773 O SER A 115 6.696 18.204 -0.108 1.00 0.00 O ATOM 1774 CB SER A 115 4.767 19.588 -1.902 1.00 0.00 C ATOM 1775 OG SER A 115 3.826 20.567 -2.309 1.00 0.00 O ATOM 0 H SER A 115 5.266 21.024 0.103 1.00 0.00 H new ATOM 0 HA SER A 115 3.495 18.774 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.776 19.989 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.707 18.724 -2.564 1.00 0.00 H new ATOM 0 HG SER A 115 4.010 20.832 -3.234 1.00 0.00 H new ATOM 1781 N VAL A 116 4.922 16.872 0.270 1.00 0.00 N ATOM 1782 CA VAL A 116 5.730 15.720 0.652 1.00 0.00 C ATOM 1783 C VAL A 116 5.631 14.610 -0.389 1.00 0.00 C ATOM 1784 O VAL A 116 4.580 13.992 -0.553 1.00 0.00 O ATOM 1785 CB VAL A 116 5.301 15.163 2.022 1.00 0.00 C ATOM 1786 CG1 VAL A 116 6.132 13.942 2.387 1.00 0.00 C ATOM 1787 CG2 VAL A 116 5.417 16.237 3.093 1.00 0.00 C ATOM 0 H VAL A 116 3.915 16.709 0.298 1.00 0.00 H new ATOM 0 HA VAL A 116 6.762 16.064 0.715 1.00 0.00 H new ATOM 0 HB VAL A 116 4.257 14.856 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.814 13.563 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.993 13.168 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 116 7.185 14.219 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.110 15.826 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.451 16.577 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.774 17.078 2.836 1.00 0.00 H new ATOM 1797 N GLN A 117 6.734 14.363 -1.089 1.00 0.00 N ATOM 1798 CA GLN A 117 6.771 13.327 -2.115 1.00 0.00 C ATOM 1799 C GLN A 117 7.895 12.333 -1.844 1.00 0.00 C ATOM 1800 O GLN A 117 9.073 12.668 -1.962 1.00 0.00 O ATOM 1801 CB GLN A 117 6.952 13.956 -3.498 1.00 0.00 C ATOM 1802 CG GLN A 117 7.168 12.937 -4.605 1.00 0.00 C ATOM 1803 CD GLN A 117 7.966 13.498 -5.766 1.00 0.00 C ATOM 1804 OE1 GLN A 117 7.712 14.610 -6.229 1.00 0.00 O ATOM 1805 NE2 GLN A 117 8.938 12.729 -6.243 1.00 0.00 N ATOM 0 H GLN A 117 7.613 14.866 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 117 5.822 12.791 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.073 14.555 -3.734 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.803 14.636 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.686 12.069 -4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.201 12.590 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.114 11.814 -5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.509 13.054 -7.024 1.00 0.00 H new ATOM 1814 N GLU A 118 7.522 11.110 -1.480 1.00 0.00 N ATOM 1815 CA GLU A 118 8.500 10.068 -1.191 1.00 0.00 C ATOM 1816 C GLU A 118 8.136 8.768 -1.901 1.00 0.00 C ATOM 1817 O GLU A 118 7.035 8.243 -1.732 1.00 0.00 O ATOM 1818 CB GLU A 118 8.594 9.829 0.318 1.00 0.00 C ATOM 1819 CG GLU A 118 9.034 11.054 1.102 1.00 0.00 C ATOM 1820 CD GLU A 118 10.543 11.185 1.181 1.00 0.00 C ATOM 1821 OE1 GLU A 118 11.233 10.146 1.116 1.00 0.00 O ATOM 1822 OE2 GLU A 118 11.032 12.327 1.307 1.00 0.00 O ATOM 0 H GLU A 118 6.550 10.817 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 118 9.469 10.404 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.622 9.502 0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.296 9.016 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.619 11.948 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.624 11.002 2.111 1.00 0.00 H new ATOM 1829 N ILE A 119 9.068 8.255 -2.697 1.00 0.00 N ATOM 1830 CA ILE A 119 8.846 7.016 -3.433 1.00 0.00 C ATOM 1831 C ILE A 119 9.775 5.911 -2.943 1.00 0.00 C ATOM 1832 O ILE A 119 10.990 5.980 -3.127 1.00 0.00 O ATOM 1833 CB ILE A 119 9.056 7.215 -4.946 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.098 8.282 -5.480 1.00 0.00 C ATOM 1835 CG2 ILE A 119 8.858 5.900 -5.685 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.592 8.961 -6.738 1.00 0.00 C ATOM 0 H ILE A 119 9.984 8.678 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 119 7.812 6.723 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 119 10.078 7.554 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.130 7.822 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.939 9.035 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.010 6.056 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.576 5.166 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.846 5.534 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.863 9.705 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.545 9.450 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.724 8.218 -7.525 1.00 0.00 H new ATOM 1848 N PHE A 120 9.195 4.891 -2.319 1.00 0.00 N ATOM 1849 CA PHE A 120 9.970 3.770 -1.802 1.00 0.00 C ATOM 1850 C PHE A 120 9.378 2.441 -2.262 1.00 0.00 C ATOM 1851 O PHE A 120 8.180 2.343 -2.529 1.00 0.00 O ATOM 1852 CB PHE A 120 10.020 3.817 -0.274 1.00 0.00 C ATOM 1853 CG PHE A 120 8.671 3.990 0.365 1.00 0.00 C ATOM 1854 CD1 PHE A 120 7.694 3.019 0.223 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.382 5.124 1.106 1.00 0.00 C ATOM 1856 CE1 PHE A 120 6.452 3.174 0.809 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.142 5.285 1.695 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.175 4.309 1.545 1.00 0.00 C ATOM 0 H PHE A 120 8.190 4.818 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 120 10.984 3.851 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.473 2.897 0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.668 4.637 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 120 7.905 2.130 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.134 5.891 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.699 2.409 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.929 6.173 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.205 4.434 2.003 1.00 0.00 H new ATOM 1868 N GLU A 121 10.226 1.421 -2.353 1.00 0.00 N ATOM 1869 CA GLU A 121 9.786 0.098 -2.781 1.00 0.00 C ATOM 1870 C GLU A 121 10.086 -0.948 -1.712 1.00 0.00 C ATOM 1871 O GLU A 121 11.219 -1.068 -1.246 1.00 0.00 O ATOM 1872 CB GLU A 121 10.468 -0.289 -4.095 1.00 0.00 C ATOM 1873 CG GLU A 121 10.249 0.715 -5.214 1.00 0.00 C ATOM 1874 CD GLU A 121 11.400 0.750 -6.201 1.00 0.00 C ATOM 1875 OE1 GLU A 121 12.553 0.934 -5.760 1.00 0.00 O ATOM 1876 OE2 GLU A 121 11.147 0.592 -7.414 1.00 0.00 O ATOM 0 H GLU A 121 11.221 1.485 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 121 8.708 0.134 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.538 -0.398 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.096 -1.263 -4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.329 0.468 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.113 1.708 -4.785 1.00 0.00 H new ATOM 1883 N VAL A 122 9.062 -1.703 -1.328 1.00 0.00 N ATOM 1884 CA VAL A 122 9.215 -2.740 -0.314 1.00 0.00 C ATOM 1885 C VAL A 122 9.942 -3.956 -0.877 1.00 0.00 C ATOM 1886 O VAL A 122 9.630 -4.428 -1.969 1.00 0.00 O ATOM 1887 CB VAL A 122 7.850 -3.185 0.244 1.00 0.00 C ATOM 1888 CG1 VAL A 122 8.025 -3.906 1.572 1.00 0.00 C ATOM 1889 CG2 VAL A 122 6.922 -1.989 0.396 1.00 0.00 C ATOM 0 H VAL A 122 8.118 -1.616 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 122 9.806 -2.308 0.494 1.00 0.00 H new ATOM 0 HB VAL A 122 7.397 -3.881 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.050 -4.213 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.652 -4.786 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.499 -3.236 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.962 -2.321 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.367 -1.268 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.771 -1.520 -0.576 1.00 0.00 H new ATOM 1899 N ASN A 123 10.914 -4.459 -0.122 1.00 0.00 N ATOM 1900 CA ASN A 123 11.687 -5.621 -0.546 1.00 0.00 C ATOM 1901 C ASN A 123 11.821 -6.629 0.592 1.00 0.00 C ATOM 1902 O ASN A 123 12.439 -7.680 0.433 1.00 0.00 O ATOM 1903 CB ASN A 123 13.074 -5.189 -1.026 1.00 0.00 C ATOM 1904 CG ASN A 123 13.023 -3.961 -1.913 1.00 0.00 C ATOM 1905 OD1 ASN A 123 12.867 -4.067 -3.130 1.00 0.00 O ATOM 1906 ND2 ASN A 123 13.154 -2.787 -1.307 1.00 0.00 N ATOM 0 H ASN A 123 11.185 -4.080 0.786 1.00 0.00 H new ATOM 0 HA ASN A 123 11.157 -6.098 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 123 13.707 -4.984 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.538 -6.010 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.127 -1.926 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 123 13.281 -2.746 -0.296 1.00 0.00 H new ATOM 1913 N ASN A 124 11.236 -6.300 1.739 1.00 0.00 N ATOM 1914 CA ASN A 124 11.289 -7.176 2.903 1.00 0.00 C ATOM 1915 C ASN A 124 9.978 -7.938 3.072 1.00 0.00 C ATOM 1916 O ASN A 124 9.604 -8.312 4.184 1.00 0.00 O ATOM 1917 CB ASN A 124 11.587 -6.365 4.165 1.00 0.00 C ATOM 1918 CG ASN A 124 12.184 -7.213 5.271 1.00 0.00 C ATOM 1919 OD1 ASN A 124 12.910 -8.173 5.009 1.00 0.00 O ATOM 1920 ND2 ASN A 124 11.880 -6.863 6.515 1.00 0.00 N ATOM 0 H ASN A 124 10.720 -5.433 1.887 1.00 0.00 H new ATOM 0 HA ASN A 124 12.090 -7.898 2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.275 -5.556 3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.667 -5.903 4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.252 -7.397 7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.274 -6.060 6.685 1.00 0.00 H new ATOM 1927 N LEU A 125 9.285 -8.164 1.961 1.00 0.00 N ATOM 1928 CA LEU A 125 8.015 -8.881 1.985 1.00 0.00 C ATOM 1929 C LEU A 125 8.195 -10.289 2.543 1.00 0.00 C ATOM 1930 O LEU A 125 9.274 -10.878 2.470 1.00 0.00 O ATOM 1931 CB LEU A 125 7.419 -8.950 0.578 1.00 0.00 C ATOM 1932 CG LEU A 125 6.974 -7.618 -0.028 1.00 0.00 C ATOM 1933 CD1 LEU A 125 6.884 -7.724 -1.542 1.00 0.00 C ATOM 1934 CD2 LEU A 125 5.638 -7.185 0.558 1.00 0.00 C ATOM 0 H LEU A 125 9.581 -7.861 1.033 1.00 0.00 H new ATOM 0 HA LEU A 125 7.331 -8.337 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.157 -9.400 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.560 -9.621 0.601 1.00 0.00 H new ATOM 0 HG LEU A 125 7.719 -6.862 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.566 -6.767 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.861 -7.988 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.160 -8.494 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.337 -6.235 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.884 -7.941 0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.735 -7.068 1.637 1.00 0.00 H new ATOM 1946 N PRO A 126 7.114 -10.845 3.110 1.00 0.00 N ATOM 1947 CA PRO A 126 7.127 -12.192 3.688 1.00 0.00 C ATOM 1948 C PRO A 126 7.248 -13.278 2.625 1.00 0.00 C ATOM 1949 O PRO A 126 7.015 -13.030 1.442 1.00 0.00 O ATOM 1950 CB PRO A 126 5.775 -12.286 4.399 1.00 0.00 C ATOM 1951 CG PRO A 126 4.899 -11.323 3.675 1.00 0.00 C ATOM 1952 CD PRO A 126 5.796 -10.200 3.231 1.00 0.00 C ATOM 0 HA PRO A 126 7.982 -12.345 4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.373 -13.298 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.863 -12.025 5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.418 -11.799 2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.104 -10.955 4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.468 -9.775 2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.811 -9.387 3.957 1.00 0.00 H new ATOM 1960 N VAL A 127 7.613 -14.482 3.054 1.00 0.00 N ATOM 1961 CA VAL A 127 7.762 -15.607 2.138 1.00 0.00 C ATOM 1962 C VAL A 127 6.515 -16.484 2.137 1.00 0.00 C ATOM 1963 O VAL A 127 6.385 -17.392 1.317 1.00 0.00 O ATOM 1964 CB VAL A 127 8.984 -16.470 2.505 1.00 0.00 C ATOM 1965 CG1 VAL A 127 10.275 -15.724 2.204 1.00 0.00 C ATOM 1966 CG2 VAL A 127 8.925 -16.882 3.968 1.00 0.00 C ATOM 0 H VAL A 127 7.811 -14.703 4.030 1.00 0.00 H new ATOM 0 HA VAL A 127 7.908 -15.188 1.142 1.00 0.00 H new ATOM 0 HB VAL A 127 8.965 -17.374 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 127 11.127 -16.350 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 127 10.318 -15.485 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.306 -14.802 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.796 -17.491 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.919 -15.992 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.018 -17.459 4.147 1.00 0.00 H new ATOM 1976 N GLU A 128 5.601 -16.204 3.061 1.00 0.00 N ATOM 1977 CA GLU A 128 4.364 -16.969 3.166 1.00 0.00 C ATOM 1978 C GLU A 128 3.479 -16.744 1.943 1.00 0.00 C ATOM 1979 O GLU A 128 2.608 -17.557 1.635 1.00 0.00 O ATOM 1980 CB GLU A 128 3.605 -16.582 4.436 1.00 0.00 C ATOM 1981 CG GLU A 128 4.144 -17.244 5.693 1.00 0.00 C ATOM 1982 CD GLU A 128 5.261 -16.448 6.339 1.00 0.00 C ATOM 1983 OE1 GLU A 128 4.993 -15.319 6.802 1.00 0.00 O ATOM 1984 OE2 GLU A 128 6.402 -16.953 6.383 1.00 0.00 O ATOM 0 H GLU A 128 5.694 -15.454 3.746 1.00 0.00 H new ATOM 0 HA GLU A 128 4.624 -18.026 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.647 -15.500 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.555 -16.849 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.332 -17.370 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.509 -18.241 5.446 1.00 0.00 H new ATOM 1991 N SER A 129 3.710 -15.633 1.250 1.00 0.00 N ATOM 1992 CA SER A 129 2.931 -15.298 0.063 1.00 0.00 C ATOM 1993 C SER A 129 3.138 -16.338 -1.034 1.00 0.00 C ATOM 1994 O SER A 129 2.207 -16.677 -1.765 1.00 0.00 O ATOM 1995 CB SER A 129 3.322 -13.911 -0.453 1.00 0.00 C ATOM 1996 OG SER A 129 4.674 -13.886 -0.875 1.00 0.00 O ATOM 0 H SER A 129 4.429 -14.951 1.490 1.00 0.00 H new ATOM 0 HA SER A 129 1.877 -15.292 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 129 2.673 -13.633 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.169 -13.171 0.333 1.00 0.00 H new ATOM 0 HG SER A 129 4.898 -12.990 -1.202 1.00 0.00 H new ATOM 2002 N TRP A 130 4.362 -16.839 -1.142 1.00 0.00 N ATOM 2003 CA TRP A 130 4.692 -17.841 -2.149 1.00 0.00 C ATOM 2004 C TRP A 130 4.981 -19.190 -1.501 1.00 0.00 C ATOM 2005 O TRP A 130 4.435 -20.214 -1.910 1.00 0.00 O ATOM 2006 CB TRP A 130 5.898 -17.388 -2.973 1.00 0.00 C ATOM 2007 CG TRP A 130 7.102 -17.070 -2.138 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.484 -15.840 -1.685 1.00 0.00 C ATOM 2009 CD2 TRP A 130 8.082 -17.998 -1.659 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.642 -15.947 -0.953 1.00 0.00 N ATOM 2011 CE2 TRP A 130 9.028 -17.261 -0.922 1.00 0.00 C ATOM 2012 CE3 TRP A 130 8.250 -19.380 -1.780 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 10.126 -17.860 -0.310 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 9.340 -19.974 -1.172 1.00 0.00 C ATOM 2015 CH2 TRP A 130 10.266 -19.215 -0.445 1.00 0.00 C ATOM 0 H TRP A 130 5.143 -16.568 -0.545 1.00 0.00 H new ATOM 0 HA TRP A 130 3.832 -17.953 -2.809 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.156 -18.170 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.623 -16.506 -3.552 1.00 0.00 H new ATOM 0 HD1 TRP A 130 6.954 -14.918 -1.874 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.134 -15.174 -0.505 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.541 -19.973 -2.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 10.841 -17.277 0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 9.480 -21.041 -1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 130 11.107 -19.709 0.018 1.00 0.00 H new ATOM 2026 N GLN A 131 5.842 -19.184 -0.489 1.00 0.00 N ATOM 2027 CA GLN A 131 6.203 -20.409 0.215 1.00 0.00 C ATOM 2028 C GLN A 131 4.960 -21.136 0.715 1.00 0.00 C ATOM 2029 O GLN A 131 4.553 -20.972 1.866 1.00 0.00 O ATOM 2030 CB GLN A 131 7.131 -20.093 1.389 1.00 0.00 C ATOM 2031 CG GLN A 131 7.804 -21.321 1.980 1.00 0.00 C ATOM 2032 CD GLN A 131 9.009 -20.973 2.832 1.00 0.00 C ATOM 2033 OE1 GLN A 131 8.900 -20.820 4.049 1.00 0.00 O ATOM 2034 NE2 GLN A 131 10.167 -20.846 2.196 1.00 0.00 N ATOM 0 H GLN A 131 6.303 -18.344 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 131 6.725 -21.061 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.898 -19.393 1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.558 -19.592 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.083 -21.870 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.114 -21.985 1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.212 -20.982 1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.012 -20.613 2.717 1.00 0.00 H new