USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 82 TYR OH : rot -175:sc= 1.18 USER MOD Set 1.2: A 84 GLN : amide:sc= 1.05 K(o=2.2,f=-1.9) USER MOD Set 2.1: A 67 THR OG1 : rot 45:sc= 0.281 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.00187 USER MOD Set 2.3: A 70 SER OG : rot -175:sc= 1.54 USER MOD Set 3.1: A 43 CYS SG : rot 70:sc= 0.175 USER MOD Set 3.2: A 50 MET CE :methyl -163:sc= -0.0276 (180deg=-0.402) USER MOD Set 4.1: A 12 HIS : no HE2:sc= 0.483 K(o=1.8,f=-4.3) USER MOD Set 4.2: A 28 LYS NZ :NH3+ -164:sc= 1.29 (180deg=0) USER MOD Set 5.1: A 14 ASN : amide:sc= 0.233 K(o=2.6,f=1.9) USER MOD Set 5.2: A 16 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0) USER MOD Set 5.3: A 26 GLN : amide:sc= 1.13 K(o=2.6,f=-5.1) USER MOD Single : A 20 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.12) USER MOD Single : A 22 ASN : amide:sc= -0.563 K(o=-0.56,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -135:sc= 2.41 (180deg=0.209) USER MOD Single : A 32 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.32) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -164:sc= 0 (180deg=-0.251) USER MOD Single : A 40 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 42 TYR OH : rot -112:sc= 0.0657 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.00026) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 73 MET CE :methyl 175:sc= 0 (180deg=-0.0572) USER MOD Single : A 78 THR OG1 : rot 47:sc= 0.409 USER MOD Single : A 83 GLN : amide:sc= 0.416 X(o=0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N GLU A 11 15.232 -9.613 -3.735 1.00 0.00 N ATOM 146 CA GLU A 11 14.058 -10.210 -3.102 1.00 0.00 C ATOM 147 C GLU A 11 12.773 -9.374 -3.103 1.00 0.00 C ATOM 148 O GLU A 11 12.729 -8.216 -2.678 1.00 0.00 O ATOM 149 CB GLU A 11 14.364 -10.705 -1.663 1.00 0.00 C ATOM 150 CG GLU A 11 13.284 -11.680 -1.124 1.00 0.00 C ATOM 151 CD GLU A 11 13.605 -12.278 0.233 1.00 0.00 C ATOM 152 OE1 GLU A 11 14.634 -12.982 0.365 1.00 0.00 O ATOM 153 OE2 GLU A 11 12.828 -12.057 1.203 1.00 0.00 O ATOM 0 HA GLU A 11 13.842 -11.054 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.334 -11.202 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.438 -9.846 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.333 -11.151 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.150 -12.489 -1.842 1.00 0.00 H new ATOM 160 N HIS A 12 11.664 -9.967 -3.593 1.00 0.00 N ATOM 161 CA HIS A 12 10.365 -9.322 -3.670 1.00 0.00 C ATOM 162 C HIS A 12 9.270 -10.134 -2.999 1.00 0.00 C ATOM 163 O HIS A 12 9.364 -11.353 -2.873 1.00 0.00 O ATOM 164 CB HIS A 12 9.968 -9.020 -5.139 1.00 0.00 C ATOM 165 CG HIS A 12 9.951 -10.198 -6.086 1.00 0.00 C ATOM 166 ND1 HIS A 12 9.117 -11.293 -5.972 1.00 0.00 N ATOM 167 CD2 HIS A 12 10.634 -10.371 -7.249 1.00 0.00 C ATOM 168 CE1 HIS A 12 9.320 -12.066 -7.064 1.00 0.00 C ATOM 169 NE2 HIS A 12 10.222 -11.537 -7.879 1.00 0.00 N ATOM 0 H HIS A 12 11.661 -10.923 -3.948 1.00 0.00 H new ATOM 0 HA HIS A 12 10.464 -8.382 -3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.976 -8.567 -5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.659 -8.275 -5.533 1.00 0.00 H new ATOM 0 HD1 HIS A 12 8.469 -11.483 -5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.389 -9.698 -7.628 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.810 -13.000 -7.249 1.00 0.00 H new ATOM 177 N ILE A 13 8.193 -9.456 -2.562 1.00 0.00 N ATOM 178 CA ILE A 13 7.068 -10.062 -1.852 1.00 0.00 C ATOM 179 C ILE A 13 5.792 -9.997 -2.681 1.00 0.00 C ATOM 180 O ILE A 13 5.850 -9.989 -3.911 1.00 0.00 O ATOM 181 CB ILE A 13 6.909 -9.461 -0.465 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.901 -7.918 -0.501 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.068 -10.018 0.378 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.637 -7.292 0.869 1.00 0.00 C ATOM 0 H ILE A 13 8.085 -8.451 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 13 7.283 -11.121 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 13 5.948 -9.734 -0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.860 -7.563 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.138 -7.580 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.006 -9.619 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.003 -11.106 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.017 -9.725 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.643 -6.206 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.665 -7.620 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.414 -7.603 1.567 1.00 0.00 H new ATOM 196 N ASN A 14 4.587 -9.994 -2.066 1.00 0.00 N ATOM 197 CA ASN A 14 3.362 -10.245 -2.802 1.00 0.00 C ATOM 198 C ASN A 14 2.205 -9.456 -2.213 1.00 0.00 C ATOM 199 O ASN A 14 1.399 -9.961 -1.432 1.00 0.00 O ATOM 200 CB ASN A 14 3.071 -11.777 -2.795 1.00 0.00 C ATOM 201 CG ASN A 14 2.913 -12.315 -4.205 1.00 0.00 C ATOM 202 OD1 ASN A 14 1.885 -12.903 -4.551 1.00 0.00 O ATOM 203 ND2 ASN A 14 3.961 -12.139 -5.035 1.00 0.00 N ATOM 0 H ASN A 14 4.454 -9.820 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 14 3.481 -9.912 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.884 -12.301 -2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.163 -11.974 -2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.922 -12.498 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.793 -11.647 -4.709 1.00 0.00 H new ATOM 210 N LEU A 15 2.079 -8.175 -2.604 1.00 0.00 N ATOM 211 CA LEU A 15 1.137 -7.248 -2.012 1.00 0.00 C ATOM 212 C LEU A 15 -0.264 -7.496 -2.519 1.00 0.00 C ATOM 213 O LEU A 15 -0.525 -7.539 -3.720 1.00 0.00 O ATOM 214 CB LEU A 15 1.527 -5.764 -2.253 1.00 0.00 C ATOM 215 CG LEU A 15 2.489 -5.175 -1.200 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.782 -5.979 -1.040 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.830 -3.717 -1.534 1.00 0.00 C ATOM 0 H LEU A 15 2.641 -7.764 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 15 1.168 -7.429 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.989 -5.678 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.619 -5.162 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 15 1.959 -5.227 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.412 -5.509 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.542 -6.996 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.314 -6.005 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.509 -3.320 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.307 -3.670 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.916 -3.123 -1.547 1.00 0.00 H new ATOM 229 N LYS A 16 -1.198 -7.682 -1.578 1.00 0.00 N ATOM 230 CA LYS A 16 -2.581 -7.969 -1.848 1.00 0.00 C ATOM 231 C LYS A 16 -3.380 -6.758 -1.434 1.00 0.00 C ATOM 232 O LYS A 16 -3.582 -6.504 -0.248 1.00 0.00 O ATOM 233 CB LYS A 16 -3.044 -9.214 -1.046 1.00 0.00 C ATOM 234 CG LYS A 16 -2.136 -10.444 -1.214 1.00 0.00 C ATOM 235 CD LYS A 16 -2.150 -11.010 -2.640 1.00 0.00 C ATOM 236 CE LYS A 16 -1.178 -12.177 -2.827 1.00 0.00 C ATOM 237 NZ LYS A 16 -1.602 -12.957 -3.993 1.00 0.00 N ATOM 0 H LYS A 16 -0.988 -7.632 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.726 -8.185 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.093 -8.954 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.055 -9.477 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.114 -10.174 -0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.453 -11.220 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.159 -11.342 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.897 -10.216 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.163 -11.805 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.165 -12.805 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.857 -13.637 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.477 -13.471 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.773 -12.317 -4.795 1.00 0.00 H new ATOM 251 N VAL A 17 -3.834 -5.952 -2.410 1.00 0.00 N ATOM 252 CA VAL A 17 -4.560 -4.730 -2.146 1.00 0.00 C ATOM 253 C VAL A 17 -6.038 -5.020 -2.269 1.00 0.00 C ATOM 254 O VAL A 17 -6.589 -5.147 -3.362 1.00 0.00 O ATOM 255 CB VAL A 17 -4.165 -3.604 -3.091 1.00 0.00 C ATOM 256 CG1 VAL A 17 -4.886 -2.303 -2.691 1.00 0.00 C ATOM 257 CG2 VAL A 17 -2.637 -3.407 -3.052 1.00 0.00 C ATOM 0 H VAL A 17 -3.699 -6.144 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.314 -4.392 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.461 -3.865 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.597 -1.503 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.964 -2.454 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.607 -2.031 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.357 -2.600 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.329 -3.153 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.143 -4.328 -3.361 1.00 0.00 H new ATOM 267 N LEU A 18 -6.730 -5.159 -1.128 1.00 0.00 N ATOM 268 CA LEU A 18 -8.148 -5.446 -1.103 1.00 0.00 C ATOM 269 C LEU A 18 -8.934 -4.150 -1.152 1.00 0.00 C ATOM 270 O LEU A 18 -9.190 -3.517 -0.129 1.00 0.00 O ATOM 271 CB LEU A 18 -8.575 -6.263 0.148 1.00 0.00 C ATOM 272 CG LEU A 18 -8.137 -7.746 0.162 1.00 0.00 C ATOM 273 CD1 LEU A 18 -6.652 -7.942 0.506 1.00 0.00 C ATOM 274 CD2 LEU A 18 -8.994 -8.533 1.164 1.00 0.00 C ATOM 0 H LEU A 18 -6.310 -5.073 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.365 -6.057 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.169 -5.775 1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.661 -6.223 0.232 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.283 -8.119 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.414 -9.006 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.037 -7.427 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.451 -7.533 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.681 -9.577 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.868 -8.111 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.043 -8.470 0.874 1.00 0.00 H new ATOM 286 N GLY A 19 -9.347 -3.714 -2.359 1.00 0.00 N ATOM 287 CA GLY A 19 -10.222 -2.564 -2.525 1.00 0.00 C ATOM 288 C GLY A 19 -11.635 -2.867 -2.114 1.00 0.00 C ATOM 289 O GLY A 19 -12.314 -3.717 -2.686 1.00 0.00 O ATOM 0 H GLY A 19 -9.077 -4.157 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.843 -1.732 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.208 -2.246 -3.567 1.00 0.00 H new ATOM 293 N GLN A 20 -12.141 -2.153 -1.095 1.00 0.00 N ATOM 294 CA GLN A 20 -13.467 -2.329 -0.537 1.00 0.00 C ATOM 295 C GLN A 20 -14.577 -1.883 -1.489 1.00 0.00 C ATOM 296 O GLN A 20 -15.751 -2.201 -1.307 1.00 0.00 O ATOM 297 CB GLN A 20 -13.547 -1.595 0.827 1.00 0.00 C ATOM 298 CG GLN A 20 -14.777 -1.959 1.698 1.00 0.00 C ATOM 299 CD GLN A 20 -15.732 -0.790 1.934 1.00 0.00 C ATOM 300 OE1 GLN A 20 -16.030 -0.432 3.073 1.00 0.00 O ATOM 301 NE2 GLN A 20 -16.244 -0.175 0.847 1.00 0.00 N ATOM 0 H GLN A 20 -11.610 -1.416 -0.630 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.632 -3.395 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.642 -1.814 1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.556 -0.521 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.323 -2.771 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.431 -2.333 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.982 -0.489 -0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.893 0.604 0.960 1.00 0.00 H new ATOM 310 N ASP A 21 -14.225 -1.187 -2.585 1.00 0.00 N ATOM 311 CA ASP A 21 -15.079 -0.897 -3.718 1.00 0.00 C ATOM 312 C ASP A 21 -15.240 -2.102 -4.656 1.00 0.00 C ATOM 313 O ASP A 21 -15.927 -2.021 -5.670 1.00 0.00 O ATOM 314 CB ASP A 21 -14.510 0.338 -4.471 1.00 0.00 C ATOM 315 CG ASP A 21 -13.107 0.125 -5.004 1.00 0.00 C ATOM 316 OD1 ASP A 21 -12.208 -0.297 -4.233 1.00 0.00 O ATOM 317 OD2 ASP A 21 -12.884 0.397 -6.214 1.00 0.00 O ATOM 0 H ASP A 21 -13.288 -0.799 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.080 -0.673 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.172 0.585 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.509 1.196 -3.798 1.00 0.00 H new ATOM 322 N ASN A 22 -14.598 -3.240 -4.304 1.00 0.00 N ATOM 323 CA ASN A 22 -14.589 -4.552 -4.941 1.00 0.00 C ATOM 324 C ASN A 22 -13.340 -4.746 -5.788 1.00 0.00 C ATOM 325 O ASN A 22 -13.089 -5.841 -6.292 1.00 0.00 O ATOM 326 CB ASN A 22 -15.849 -4.973 -5.765 1.00 0.00 C ATOM 327 CG ASN A 22 -17.142 -5.167 -4.972 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.075 -5.766 -5.519 1.00 0.00 O ATOM 329 ND2 ASN A 22 -17.233 -4.711 -3.710 1.00 0.00 N ATOM 0 H ASN A 22 -14.011 -3.248 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.601 -5.221 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.027 -4.217 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.623 -5.904 -6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.090 -4.856 -3.176 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.445 -4.220 -3.287 1.00 0.00 H new ATOM 336 N ALA A 23 -12.503 -3.706 -5.964 1.00 0.00 N ATOM 337 CA ALA A 23 -11.305 -3.787 -6.770 1.00 0.00 C ATOM 338 C ALA A 23 -10.115 -4.395 -6.029 1.00 0.00 C ATOM 339 O ALA A 23 -9.220 -3.713 -5.534 1.00 0.00 O ATOM 340 CB ALA A 23 -10.953 -2.386 -7.292 1.00 0.00 C ATOM 0 H ALA A 23 -12.654 -2.789 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.517 -4.461 -7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.050 -2.441 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.776 -2.006 -7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.782 -1.716 -6.449 1.00 0.00 H new ATOM 346 N VAL A 24 -10.065 -5.736 -5.954 1.00 0.00 N ATOM 347 CA VAL A 24 -8.928 -6.451 -5.401 1.00 0.00 C ATOM 348 C VAL A 24 -7.826 -6.552 -6.448 1.00 0.00 C ATOM 349 O VAL A 24 -8.013 -7.125 -7.522 1.00 0.00 O ATOM 350 CB VAL A 24 -9.299 -7.835 -4.876 1.00 0.00 C ATOM 351 CG1 VAL A 24 -8.085 -8.481 -4.176 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.471 -7.704 -3.880 1.00 0.00 C ATOM 0 H VAL A 24 -10.817 -6.344 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.570 -5.881 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.598 -8.469 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.361 -9.468 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.264 -8.577 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.771 -7.855 -3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.740 -8.691 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.172 -7.066 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.330 -7.263 -4.385 1.00 0.00 H new ATOM 362 N VAL A 25 -6.643 -5.972 -6.177 1.00 0.00 N ATOM 363 CA VAL A 25 -5.533 -5.914 -7.118 1.00 0.00 C ATOM 364 C VAL A 25 -4.259 -6.330 -6.399 1.00 0.00 C ATOM 365 O VAL A 25 -4.210 -6.389 -5.172 1.00 0.00 O ATOM 366 CB VAL A 25 -5.448 -4.537 -7.790 1.00 0.00 C ATOM 367 CG1 VAL A 25 -5.052 -3.436 -6.790 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.525 -4.543 -9.027 1.00 0.00 C ATOM 0 H VAL A 25 -6.438 -5.527 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.690 -6.616 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.451 -4.304 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.003 -2.477 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.795 -3.383 -5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.077 -3.668 -6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.499 -3.546 -9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.518 -4.835 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.905 -5.253 -9.761 1.00 0.00 H new ATOM 378 N GLN A 26 -3.190 -6.700 -7.125 1.00 0.00 N ATOM 379 CA GLN A 26 -2.006 -7.239 -6.493 1.00 0.00 C ATOM 380 C GLN A 26 -0.772 -7.012 -7.340 1.00 0.00 C ATOM 381 O GLN A 26 -0.855 -6.889 -8.561 1.00 0.00 O ATOM 382 CB GLN A 26 -2.183 -8.753 -6.208 1.00 0.00 C ATOM 383 CG GLN A 26 -2.494 -9.590 -7.467 1.00 0.00 C ATOM 384 CD GLN A 26 -2.824 -11.022 -7.078 1.00 0.00 C ATOM 385 OE1 GLN A 26 -2.060 -11.683 -6.356 1.00 0.00 O ATOM 386 NE2 GLN A 26 -3.975 -11.538 -7.553 1.00 0.00 N ATOM 0 H GLN A 26 -3.135 -6.631 -8.141 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.869 -6.712 -5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.274 -9.135 -5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.989 -8.886 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.332 -9.150 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.638 -9.577 -8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.583 -10.971 -8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.238 -12.496 -7.321 1.00 0.00 H new ATOM 395 N PHE A 27 0.403 -6.931 -6.690 1.00 0.00 N ATOM 396 CA PHE A 27 1.665 -6.655 -7.350 1.00 0.00 C ATOM 397 C PHE A 27 2.823 -6.991 -6.420 1.00 0.00 C ATOM 398 O PHE A 27 2.649 -7.214 -5.224 1.00 0.00 O ATOM 399 CB PHE A 27 1.778 -5.192 -7.890 1.00 0.00 C ATOM 400 CG PHE A 27 1.201 -4.171 -6.939 1.00 0.00 C ATOM 401 CD1 PHE A 27 1.889 -3.788 -5.776 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.051 -3.591 -7.211 1.00 0.00 C ATOM 403 CE1 PHE A 27 1.331 -2.850 -4.898 1.00 0.00 C ATOM 404 CE2 PHE A 27 -0.608 -2.650 -6.340 1.00 0.00 C ATOM 405 CZ PHE A 27 0.085 -2.279 -5.182 1.00 0.00 C ATOM 0 H PHE A 27 0.490 -7.059 -5.682 1.00 0.00 H new ATOM 0 HA PHE A 27 1.710 -7.296 -8.230 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.826 -4.958 -8.075 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.262 -5.122 -8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.855 -4.220 -5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.589 -3.876 -8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.862 -2.567 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.570 -2.211 -6.560 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.342 -1.552 -4.507 1.00 0.00 H new ATOM 415 N LYS A 28 4.058 -7.057 -6.946 1.00 0.00 N ATOM 416 CA LYS A 28 5.228 -7.392 -6.158 1.00 0.00 C ATOM 417 C LYS A 28 6.106 -6.170 -5.903 1.00 0.00 C ATOM 418 O LYS A 28 6.574 -5.501 -6.822 1.00 0.00 O ATOM 419 CB LYS A 28 6.029 -8.550 -6.813 1.00 0.00 C ATOM 420 CG LYS A 28 6.636 -8.273 -8.202 1.00 0.00 C ATOM 421 CD LYS A 28 7.347 -9.520 -8.753 1.00 0.00 C ATOM 422 CE LYS A 28 8.259 -9.250 -9.952 1.00 0.00 C ATOM 423 NZ LYS A 28 8.980 -10.479 -10.328 1.00 0.00 N ATOM 0 H LYS A 28 4.260 -6.878 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 28 4.882 -7.741 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.838 -8.829 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.371 -9.415 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.850 -7.964 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.344 -7.447 -8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.939 -9.968 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.595 -10.254 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.668 -8.894 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.971 -8.462 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.780 -10.237 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.335 -10.949 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.334 -11.120 -10.832 1.00 0.00 H new ATOM 437 N ILE A 29 6.363 -5.831 -4.623 1.00 0.00 N ATOM 438 CA ILE A 29 7.314 -4.781 -4.273 1.00 0.00 C ATOM 439 C ILE A 29 8.646 -5.421 -3.901 1.00 0.00 C ATOM 440 O ILE A 29 8.707 -6.550 -3.411 1.00 0.00 O ATOM 441 CB ILE A 29 6.802 -3.836 -3.175 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.531 -2.468 -3.190 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.874 -4.504 -1.787 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.020 -1.480 -2.133 1.00 0.00 C ATOM 0 H ILE A 29 5.919 -6.276 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 29 7.449 -4.143 -5.147 1.00 0.00 H new ATOM 0 HB ILE A 29 5.754 -3.632 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.597 -2.634 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.420 -2.019 -4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.505 -3.811 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.260 -5.405 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.908 -4.769 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.579 -0.547 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.961 -1.283 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.156 -1.907 -1.140 1.00 0.00 H new ATOM 456 N LYS A 30 9.767 -4.712 -4.137 1.00 0.00 N ATOM 457 CA LYS A 30 11.083 -5.097 -3.667 1.00 0.00 C ATOM 458 C LYS A 30 11.204 -4.767 -2.186 1.00 0.00 C ATOM 459 O LYS A 30 10.777 -3.701 -1.749 1.00 0.00 O ATOM 460 CB LYS A 30 12.162 -4.318 -4.464 1.00 0.00 C ATOM 461 CG LYS A 30 13.579 -4.915 -4.407 1.00 0.00 C ATOM 462 CD LYS A 30 13.749 -6.245 -5.167 1.00 0.00 C ATOM 463 CE LYS A 30 13.469 -6.215 -6.676 1.00 0.00 C ATOM 464 NZ LYS A 30 14.473 -5.419 -7.383 1.00 0.00 N ATOM 0 H LYS A 30 9.768 -3.843 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 30 11.227 -6.167 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.850 -4.262 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.201 -3.296 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.282 -4.188 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.851 -5.072 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.770 -6.595 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.089 -6.984 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.465 -7.232 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.478 -5.799 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.260 -5.416 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.459 -4.443 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.415 -5.832 -7.228 1.00 0.00 H new ATOM 478 N LYS A 31 11.763 -5.662 -1.348 1.00 0.00 N ATOM 479 CA LYS A 31 11.646 -5.526 0.101 1.00 0.00 C ATOM 480 C LYS A 31 12.396 -4.354 0.729 1.00 0.00 C ATOM 481 O LYS A 31 12.085 -3.929 1.838 1.00 0.00 O ATOM 482 CB LYS A 31 12.048 -6.834 0.821 1.00 0.00 C ATOM 483 CG LYS A 31 11.142 -8.014 0.457 1.00 0.00 C ATOM 484 CD LYS A 31 11.538 -9.321 1.163 1.00 0.00 C ATOM 485 CE LYS A 31 11.002 -9.515 2.588 1.00 0.00 C ATOM 486 NZ LYS A 31 11.363 -10.861 3.064 1.00 0.00 N ATOM 0 H LYS A 31 12.294 -6.477 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 31 10.588 -5.308 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.079 -7.081 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.015 -6.675 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.112 -7.767 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.172 -8.168 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.196 -10.157 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.626 -9.375 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.419 -8.758 3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.919 -9.390 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.539 -11.300 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.663 -11.446 2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.143 -10.790 3.748 1.00 0.00 H new ATOM 500 N HIS A 32 13.385 -3.781 0.019 1.00 0.00 N ATOM 501 CA HIS A 32 14.134 -2.616 0.468 1.00 0.00 C ATOM 502 C HIS A 32 13.385 -1.307 0.228 1.00 0.00 C ATOM 503 O HIS A 32 13.772 -0.252 0.722 1.00 0.00 O ATOM 504 CB HIS A 32 15.517 -2.510 -0.240 1.00 0.00 C ATOM 505 CG HIS A 32 16.002 -3.795 -0.861 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.248 -4.978 -0.189 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.218 -4.063 -2.176 1.00 0.00 C ATOM 508 CE1 HIS A 32 16.579 -5.901 -1.125 1.00 0.00 C ATOM 509 NE2 HIS A 32 16.577 -5.389 -2.341 1.00 0.00 N ATOM 0 H HIS A 32 13.682 -4.126 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 32 14.270 -2.762 1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 32 15.456 -1.747 -1.016 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.257 -2.170 0.485 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.123 -3.344 -2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 32 16.816 -6.931 -0.902 1.00 0.00 H new ATOM 0 HE2 HIS A 32 16.794 -5.868 -3.215 1.00 0.00 H new ATOM 517 N THR A 33 12.297 -1.335 -0.564 1.00 0.00 N ATOM 518 CA THR A 33 11.584 -0.132 -0.983 1.00 0.00 C ATOM 519 C THR A 33 10.469 0.204 -0.001 1.00 0.00 C ATOM 520 O THR A 33 9.610 -0.652 0.222 1.00 0.00 O ATOM 521 CB THR A 33 10.958 -0.279 -2.365 1.00 0.00 C ATOM 522 OG1 THR A 33 11.964 -0.587 -3.321 1.00 0.00 O ATOM 523 CG2 THR A 33 10.316 1.033 -2.837 1.00 0.00 C ATOM 0 H THR A 33 11.893 -2.198 -0.928 1.00 0.00 H new ATOM 0 HA THR A 33 12.328 0.664 -1.011 1.00 0.00 H new ATOM 0 HB THR A 33 10.208 -1.066 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.555 -0.682 -4.207 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.880 0.890 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.536 1.329 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.076 1.813 -2.885 1.00 0.00 H new ATOM 531 N PRO A 34 10.387 1.382 0.626 1.00 0.00 N ATOM 532 CA PRO A 34 9.321 1.679 1.580 1.00 0.00 C ATOM 533 C PRO A 34 7.981 1.910 0.901 1.00 0.00 C ATOM 534 O PRO A 34 7.914 2.238 -0.287 1.00 0.00 O ATOM 535 CB PRO A 34 9.821 2.946 2.294 1.00 0.00 C ATOM 536 CG PRO A 34 10.744 3.624 1.277 1.00 0.00 C ATOM 537 CD PRO A 34 11.408 2.432 0.591 1.00 0.00 C ATOM 0 HA PRO A 34 9.135 0.849 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.992 3.597 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.355 2.699 3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.187 4.241 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.474 4.273 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 34 11.697 2.672 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.313 2.125 1.115 1.00 0.00 H new ATOM 545 N LEU A 35 6.877 1.751 1.657 1.00 0.00 N ATOM 546 CA LEU A 35 5.530 1.731 1.116 1.00 0.00 C ATOM 547 C LEU A 35 5.065 3.097 0.634 1.00 0.00 C ATOM 548 O LEU A 35 4.383 3.209 -0.383 1.00 0.00 O ATOM 549 CB LEU A 35 4.503 1.169 2.139 1.00 0.00 C ATOM 550 CG LEU A 35 4.564 -0.356 2.424 1.00 0.00 C ATOM 551 CD1 LEU A 35 4.441 -1.203 1.147 1.00 0.00 C ATOM 552 CD2 LEU A 35 5.788 -0.794 3.242 1.00 0.00 C ATOM 0 H LEU A 35 6.910 1.633 2.670 1.00 0.00 H new ATOM 0 HA LEU A 35 5.576 1.066 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.639 1.697 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.501 1.408 1.782 1.00 0.00 H new ATOM 0 HG LEU A 35 3.689 -0.545 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.490 -2.261 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.488 -0.992 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.257 -0.958 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.755 -1.872 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.698 -0.533 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.780 -0.288 4.208 1.00 0.00 H new ATOM 564 N ARG A 36 5.444 4.183 1.340 1.00 0.00 N ATOM 565 CA ARG A 36 5.113 5.567 1.023 1.00 0.00 C ATOM 566 C ARG A 36 5.331 5.991 -0.430 1.00 0.00 C ATOM 567 O ARG A 36 4.463 6.612 -1.043 1.00 0.00 O ATOM 568 CB ARG A 36 5.884 6.522 1.970 1.00 0.00 C ATOM 569 CG ARG A 36 5.397 7.984 1.909 1.00 0.00 C ATOM 570 CD ARG A 36 6.118 8.907 2.897 1.00 0.00 C ATOM 571 NE ARG A 36 5.563 10.276 2.661 1.00 0.00 N ATOM 572 CZ ARG A 36 6.136 11.402 3.097 1.00 0.00 C ATOM 573 NH1 ARG A 36 7.207 11.379 3.879 1.00 0.00 N ATOM 574 NH2 ARG A 36 5.609 12.571 2.762 1.00 0.00 N ATOM 0 H ARG A 36 6.014 4.103 2.182 1.00 0.00 H new ATOM 0 HA ARG A 36 4.036 5.637 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.789 6.159 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.944 6.491 1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.539 8.365 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.327 8.011 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.947 8.588 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.195 8.889 2.733 1.00 0.00 H new ATOM 0 HE ARG A 36 4.693 10.355 2.134 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.613 10.487 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.625 12.253 4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.774 12.605 2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.038 13.436 3.089 1.00 0.00 H new ATOM 588 N LYS A 37 6.482 5.622 -1.039 1.00 0.00 N ATOM 589 CA LYS A 37 6.764 5.902 -2.440 1.00 0.00 C ATOM 590 C LYS A 37 5.799 5.202 -3.391 1.00 0.00 C ATOM 591 O LYS A 37 5.277 5.807 -4.325 1.00 0.00 O ATOM 592 CB LYS A 37 8.226 5.531 -2.816 1.00 0.00 C ATOM 593 CG LYS A 37 8.570 5.876 -4.279 1.00 0.00 C ATOM 594 CD LYS A 37 10.058 5.761 -4.660 1.00 0.00 C ATOM 595 CE LYS A 37 10.687 4.388 -4.404 1.00 0.00 C ATOM 596 NZ LYS A 37 11.874 4.189 -5.252 1.00 0.00 N ATOM 0 H LYS A 37 7.232 5.123 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 37 6.626 6.977 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.912 6.057 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.379 4.464 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.995 5.220 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.240 6.895 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.167 6.002 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.619 6.511 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.966 4.301 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.956 3.605 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.284 3.252 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.599 4.250 -6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.579 4.924 -5.041 1.00 0.00 H new ATOM 610 N LEU A 38 5.494 3.909 -3.150 1.00 0.00 N ATOM 611 CA LEU A 38 4.530 3.156 -3.934 1.00 0.00 C ATOM 612 C LEU A 38 3.126 3.733 -3.828 1.00 0.00 C ATOM 613 O LEU A 38 2.447 3.937 -4.832 1.00 0.00 O ATOM 614 CB LEU A 38 4.557 1.653 -3.544 1.00 0.00 C ATOM 615 CG LEU A 38 3.651 0.746 -4.409 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.305 -0.621 -4.661 1.00 0.00 C ATOM 617 CD2 LEU A 38 2.262 0.533 -3.788 1.00 0.00 C ATOM 0 H LEU A 38 5.920 3.368 -2.398 1.00 0.00 H new ATOM 0 HA LEU A 38 4.824 3.242 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.583 1.292 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.255 1.557 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 38 3.524 1.270 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.642 -1.234 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.252 -0.481 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.485 -1.119 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.668 -0.111 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.369 0.064 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.762 1.495 -3.676 1.00 0.00 H new ATOM 629 N MET A 39 2.667 4.061 -2.603 1.00 0.00 N ATOM 630 CA MET A 39 1.376 4.687 -2.367 1.00 0.00 C ATOM 631 C MET A 39 1.213 6.026 -3.080 1.00 0.00 C ATOM 632 O MET A 39 0.225 6.253 -3.776 1.00 0.00 O ATOM 633 CB MET A 39 1.110 4.869 -0.849 1.00 0.00 C ATOM 634 CG MET A 39 0.991 3.543 -0.066 1.00 0.00 C ATOM 635 SD MET A 39 -0.329 2.420 -0.627 1.00 0.00 S ATOM 636 CE MET A 39 -1.737 3.413 -0.054 1.00 0.00 C ATOM 0 H MET A 39 3.198 3.891 -1.749 1.00 0.00 H new ATOM 0 HA MET A 39 0.638 4.004 -2.789 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.917 5.462 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.191 5.440 -0.718 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.943 3.017 -0.129 1.00 0.00 H new ATOM 0 HG3 MET A 39 0.824 3.776 0.986 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.635 2.795 -0.036 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.534 3.787 0.949 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.889 4.254 -0.731 1.00 0.00 H new ATOM 646 N ASN A 40 2.202 6.942 -2.971 1.00 0.00 N ATOM 647 CA ASN A 40 2.158 8.213 -3.675 1.00 0.00 C ATOM 648 C ASN A 40 2.244 8.051 -5.196 1.00 0.00 C ATOM 649 O ASN A 40 1.491 8.681 -5.935 1.00 0.00 O ATOM 650 CB ASN A 40 3.252 9.178 -3.146 1.00 0.00 C ATOM 651 CG ASN A 40 2.976 10.605 -3.610 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.707 11.190 -4.409 1.00 0.00 O ATOM 653 ND2 ASN A 40 1.869 11.197 -3.113 1.00 0.00 N ATOM 0 H ASN A 40 3.035 6.810 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 40 1.183 8.654 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.281 9.143 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.231 8.857 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.626 12.145 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.276 10.696 -2.452 1.00 0.00 H new ATOM 660 N ALA A 41 3.123 7.161 -5.702 1.00 0.00 N ATOM 661 CA ALA A 41 3.220 6.842 -7.112 1.00 0.00 C ATOM 662 C ALA A 41 1.935 6.266 -7.704 1.00 0.00 C ATOM 663 O ALA A 41 1.566 6.581 -8.833 1.00 0.00 O ATOM 664 CB ALA A 41 4.389 5.867 -7.347 1.00 0.00 C ATOM 0 H ALA A 41 3.786 6.646 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 41 3.398 7.785 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.458 5.630 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.320 6.329 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.218 4.951 -6.781 1.00 0.00 H new ATOM 670 N TYR A 42 1.191 5.437 -6.944 1.00 0.00 N ATOM 671 CA TYR A 42 -0.142 4.992 -7.321 1.00 0.00 C ATOM 672 C TYR A 42 -1.173 6.112 -7.324 1.00 0.00 C ATOM 673 O TYR A 42 -1.927 6.238 -8.286 1.00 0.00 O ATOM 674 CB TYR A 42 -0.626 3.801 -6.446 1.00 0.00 C ATOM 675 CG TYR A 42 -0.411 2.524 -7.208 1.00 0.00 C ATOM 676 CD1 TYR A 42 -1.365 2.112 -8.153 1.00 0.00 C ATOM 677 CD2 TYR A 42 0.764 1.772 -7.054 1.00 0.00 C ATOM 678 CE1 TYR A 42 -1.153 0.965 -8.931 1.00 0.00 C ATOM 679 CE2 TYR A 42 0.978 0.620 -7.827 1.00 0.00 C ATOM 680 CZ TYR A 42 0.025 0.226 -8.772 1.00 0.00 C ATOM 681 OH TYR A 42 0.254 -0.909 -9.573 1.00 0.00 O ATOM 0 H TYR A 42 1.510 5.063 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.051 4.646 -8.351 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.077 3.776 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.681 3.919 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.271 2.685 -8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.509 2.082 -6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.896 0.653 -9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.878 0.038 -7.692 1.00 0.00 H new ATOM 0 HH TYR A 42 0.226 -1.714 -9.015 1.00 0.00 H new ATOM 691 N CYS A 43 -1.217 6.991 -6.294 1.00 0.00 N ATOM 692 CA CYS A 43 -2.062 8.190 -6.301 1.00 0.00 C ATOM 693 C CYS A 43 -1.848 9.067 -7.530 1.00 0.00 C ATOM 694 O CYS A 43 -2.799 9.478 -8.192 1.00 0.00 O ATOM 695 CB CYS A 43 -1.851 9.096 -5.050 1.00 0.00 C ATOM 696 SG CYS A 43 -2.366 8.323 -3.479 1.00 0.00 S ATOM 0 H CYS A 43 -0.667 6.882 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.075 7.787 -6.303 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.797 9.365 -4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.408 10.023 -5.187 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.547 7.358 -3.181 1.00 0.00 H new ATOM 702 N ASP A 44 -0.575 9.326 -7.876 1.00 0.00 N ATOM 703 CA ASP A 44 -0.155 10.105 -9.016 1.00 0.00 C ATOM 704 C ASP A 44 -0.480 9.452 -10.368 1.00 0.00 C ATOM 705 O ASP A 44 -1.134 10.038 -11.231 1.00 0.00 O ATOM 706 CB ASP A 44 1.369 10.331 -8.852 1.00 0.00 C ATOM 707 CG ASP A 44 1.840 11.519 -9.645 1.00 0.00 C ATOM 708 OD1 ASP A 44 1.516 12.668 -9.243 1.00 0.00 O ATOM 709 OD2 ASP A 44 2.573 11.345 -10.645 1.00 0.00 O ATOM 0 H ASP A 44 0.213 8.974 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.707 11.045 -9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.604 10.480 -7.798 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.907 9.440 -9.176 1.00 0.00 H new ATOM 714 N ARG A 45 -0.035 8.196 -10.592 1.00 0.00 N ATOM 715 CA ARG A 45 -0.128 7.508 -11.872 1.00 0.00 C ATOM 716 C ARG A 45 -1.524 6.973 -12.189 1.00 0.00 C ATOM 717 O ARG A 45 -1.917 6.874 -13.351 1.00 0.00 O ATOM 718 CB ARG A 45 0.934 6.377 -11.903 1.00 0.00 C ATOM 719 CG ARG A 45 1.243 5.711 -13.265 1.00 0.00 C ATOM 720 CD ARG A 45 1.733 6.662 -14.377 1.00 0.00 C ATOM 721 NE ARG A 45 2.720 5.946 -15.270 1.00 0.00 N ATOM 722 CZ ARG A 45 2.494 4.793 -15.919 1.00 0.00 C ATOM 723 NH1 ARG A 45 1.279 4.375 -16.210 1.00 0.00 N ATOM 724 NH2 ARG A 45 3.556 4.088 -16.296 1.00 0.00 N ATOM 0 H ARG A 45 0.406 7.632 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 45 0.071 8.238 -12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.866 6.783 -11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.611 5.596 -11.215 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.000 4.942 -13.110 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.343 5.206 -13.615 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.886 7.014 -14.966 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.201 7.541 -13.935 1.00 0.00 H new ATOM 0 HE ARG A 45 3.637 6.376 -15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.469 4.934 -15.941 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.148 3.493 -16.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.495 4.430 -16.089 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.432 3.205 -16.792 1.00 0.00 H new ATOM 738 N ALA A 46 -2.338 6.627 -11.171 1.00 0.00 N ATOM 739 CA ALA A 46 -3.743 6.318 -11.367 1.00 0.00 C ATOM 740 C ALA A 46 -4.592 7.586 -11.458 1.00 0.00 C ATOM 741 O ALA A 46 -5.563 7.658 -12.215 1.00 0.00 O ATOM 742 CB ALA A 46 -4.261 5.431 -10.216 1.00 0.00 C ATOM 0 H ALA A 46 -2.029 6.558 -10.201 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.831 5.781 -12.311 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.316 5.207 -10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.693 4.501 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.141 5.957 -9.269 1.00 0.00 H new ATOM 748 N GLY A 47 -4.238 8.620 -10.669 1.00 0.00 N ATOM 749 CA GLY A 47 -4.911 9.912 -10.648 1.00 0.00 C ATOM 750 C GLY A 47 -6.035 9.949 -9.650 1.00 0.00 C ATOM 751 O GLY A 47 -7.212 9.918 -10.016 1.00 0.00 O ATOM 0 H GLY A 47 -3.456 8.567 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.189 10.692 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.302 10.133 -11.641 1.00 0.00 H new ATOM 755 N LEU A 48 -5.677 10.014 -8.356 1.00 0.00 N ATOM 756 CA LEU A 48 -6.594 10.222 -7.252 1.00 0.00 C ATOM 757 C LEU A 48 -5.859 10.932 -6.117 1.00 0.00 C ATOM 758 O LEU A 48 -4.724 11.373 -6.291 1.00 0.00 O ATOM 759 CB LEU A 48 -7.289 8.901 -6.809 1.00 0.00 C ATOM 760 CG LEU A 48 -6.384 7.689 -6.486 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.696 7.785 -5.117 1.00 0.00 C ATOM 762 CD2 LEU A 48 -7.223 6.401 -6.549 1.00 0.00 C ATOM 0 H LEU A 48 -4.708 9.919 -8.054 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.410 10.867 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.889 9.117 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.980 8.604 -7.598 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.590 7.679 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.078 6.901 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.070 8.677 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.451 7.845 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.590 5.543 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.032 6.458 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.642 6.288 -7.549 1.00 0.00 H new ATOM 774 N SER A 49 -6.487 11.075 -4.930 1.00 0.00 N ATOM 775 CA SER A 49 -5.897 11.743 -3.769 1.00 0.00 C ATOM 776 C SER A 49 -5.990 10.841 -2.552 1.00 0.00 C ATOM 777 O SER A 49 -6.846 9.962 -2.476 1.00 0.00 O ATOM 778 CB SER A 49 -6.617 13.068 -3.407 1.00 0.00 C ATOM 779 OG SER A 49 -6.589 13.975 -4.507 1.00 0.00 O ATOM 0 H SER A 49 -7.429 10.723 -4.758 1.00 0.00 H new ATOM 0 HA SER A 49 -4.864 11.961 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.650 12.861 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.136 13.524 -2.541 1.00 0.00 H new ATOM 0 HG SER A 49 -7.050 14.804 -4.259 1.00 0.00 H new ATOM 785 N MET A 50 -5.141 11.035 -1.517 1.00 0.00 N ATOM 786 CA MET A 50 -5.053 10.107 -0.389 1.00 0.00 C ATOM 787 C MET A 50 -6.167 10.285 0.649 1.00 0.00 C ATOM 788 O MET A 50 -6.283 9.565 1.639 1.00 0.00 O ATOM 789 CB MET A 50 -3.651 10.211 0.264 1.00 0.00 C ATOM 790 CG MET A 50 -3.176 8.917 0.957 1.00 0.00 C ATOM 791 SD MET A 50 -1.564 9.061 1.790 1.00 0.00 S ATOM 792 CE MET A 50 -0.529 9.280 0.313 1.00 0.00 C ATOM 0 H MET A 50 -4.509 11.832 -1.449 1.00 0.00 H new ATOM 0 HA MET A 50 -5.197 9.104 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.926 10.486 -0.502 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.663 11.018 0.996 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.925 8.615 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.118 8.121 0.214 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.513 9.088 0.567 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.848 8.583 -0.462 1.00 0.00 H new ATOM 0 HE3 MET A 50 -0.630 10.301 -0.054 1.00 0.00 H new ATOM 802 N GLN A 51 -7.069 11.249 0.420 1.00 0.00 N ATOM 803 CA GLN A 51 -8.302 11.428 1.160 1.00 0.00 C ATOM 804 C GLN A 51 -9.344 10.354 0.858 1.00 0.00 C ATOM 805 O GLN A 51 -10.007 9.836 1.754 1.00 0.00 O ATOM 806 CB GLN A 51 -8.888 12.813 0.807 1.00 0.00 C ATOM 807 CG GLN A 51 -8.125 13.978 1.478 1.00 0.00 C ATOM 808 CD GLN A 51 -8.572 14.162 2.929 1.00 0.00 C ATOM 809 OE1 GLN A 51 -9.724 14.514 3.195 1.00 0.00 O ATOM 810 NE2 GLN A 51 -7.669 13.923 3.898 1.00 0.00 N ATOM 0 H GLN A 51 -6.945 11.945 -0.315 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.063 11.349 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.866 12.946 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.934 12.848 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.053 13.782 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.297 14.899 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.722 13.633 3.653 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.931 14.032 4.878 1.00 0.00 H new ATOM 819 N VAL A 52 -9.517 9.989 -0.427 1.00 0.00 N ATOM 820 CA VAL A 52 -10.537 9.037 -0.848 1.00 0.00 C ATOM 821 C VAL A 52 -10.063 7.594 -0.760 1.00 0.00 C ATOM 822 O VAL A 52 -10.871 6.671 -0.678 1.00 0.00 O ATOM 823 CB VAL A 52 -11.083 9.335 -2.243 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.807 10.695 -2.206 1.00 0.00 C ATOM 825 CG2 VAL A 52 -9.979 9.342 -3.319 1.00 0.00 C ATOM 0 H VAL A 52 -8.950 10.351 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.355 9.162 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.777 8.540 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.203 10.923 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.626 10.652 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.104 11.473 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.420 9.559 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.240 10.106 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.495 8.366 -3.350 1.00 0.00 H new ATOM 835 N VAL A 53 -8.735 7.363 -0.771 1.00 0.00 N ATOM 836 CA VAL A 53 -8.120 6.064 -0.539 1.00 0.00 C ATOM 837 C VAL A 53 -7.599 6.009 0.887 1.00 0.00 C ATOM 838 O VAL A 53 -6.557 6.578 1.211 1.00 0.00 O ATOM 839 CB VAL A 53 -6.979 5.804 -1.528 1.00 0.00 C ATOM 840 CG1 VAL A 53 -6.160 4.542 -1.177 1.00 0.00 C ATOM 841 CG2 VAL A 53 -7.584 5.636 -2.933 1.00 0.00 C ATOM 0 H VAL A 53 -8.053 8.101 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.871 5.289 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.297 6.653 -1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.366 4.408 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.722 4.657 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.814 3.670 -1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.787 5.450 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.276 4.794 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.118 6.545 -3.210 1.00 0.00 H new ATOM 851 N ARG A 54 -8.312 5.318 1.798 1.00 0.00 N ATOM 852 CA ARG A 54 -7.843 5.129 3.163 1.00 0.00 C ATOM 853 C ARG A 54 -7.429 3.689 3.381 1.00 0.00 C ATOM 854 O ARG A 54 -8.128 2.761 2.993 1.00 0.00 O ATOM 855 CB ARG A 54 -8.897 5.551 4.217 1.00 0.00 C ATOM 856 CG ARG A 54 -9.289 7.047 4.168 1.00 0.00 C ATOM 857 CD ARG A 54 -8.133 8.055 4.058 1.00 0.00 C ATOM 858 NE ARG A 54 -7.113 7.681 5.090 1.00 0.00 N ATOM 859 CZ ARG A 54 -5.840 8.083 5.060 1.00 0.00 C ATOM 860 NH1 ARG A 54 -5.364 8.942 4.170 1.00 0.00 N ATOM 861 NH2 ARG A 54 -4.979 7.562 5.925 1.00 0.00 N ATOM 0 H ARG A 54 -9.215 4.885 1.602 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.979 5.779 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.794 4.948 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.511 5.322 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.955 7.198 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.860 7.280 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.696 8.030 3.060 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.492 9.071 4.224 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.409 7.083 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.981 9.333 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.381 9.212 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.293 6.865 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.003 7.859 5.915 1.00 0.00 H new ATOM 875 N PHE A 55 -6.252 3.459 3.986 1.00 0.00 N ATOM 876 CA PHE A 55 -5.660 2.139 4.064 1.00 0.00 C ATOM 877 C PHE A 55 -5.486 1.647 5.496 1.00 0.00 C ATOM 878 O PHE A 55 -5.279 2.429 6.428 1.00 0.00 O ATOM 879 CB PHE A 55 -4.316 2.081 3.279 1.00 0.00 C ATOM 880 CG PHE A 55 -3.318 3.124 3.727 1.00 0.00 C ATOM 881 CD1 PHE A 55 -3.328 4.415 3.167 1.00 0.00 C ATOM 882 CD2 PHE A 55 -2.362 2.820 4.709 1.00 0.00 C ATOM 883 CE1 PHE A 55 -2.409 5.384 3.588 1.00 0.00 C ATOM 884 CE2 PHE A 55 -1.439 3.784 5.134 1.00 0.00 C ATOM 885 CZ PHE A 55 -1.463 5.068 4.572 1.00 0.00 C ATOM 0 H PHE A 55 -5.695 4.190 4.430 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.365 1.456 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.875 1.091 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.518 2.214 2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.052 4.661 2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.338 1.831 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.429 6.373 3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.711 3.539 5.893 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.752 5.813 4.897 1.00 0.00 H new ATOM 895 N ARG A 56 -5.555 0.314 5.685 1.00 0.00 N ATOM 896 CA ARG A 56 -5.175 -0.365 6.910 1.00 0.00 C ATOM 897 C ARG A 56 -4.499 -1.676 6.547 1.00 0.00 C ATOM 898 O ARG A 56 -4.658 -2.189 5.445 1.00 0.00 O ATOM 899 CB ARG A 56 -6.373 -0.711 7.829 1.00 0.00 C ATOM 900 CG ARG A 56 -7.137 0.490 8.411 1.00 0.00 C ATOM 901 CD ARG A 56 -8.133 0.089 9.505 1.00 0.00 C ATOM 902 NE ARG A 56 -9.191 -0.774 8.877 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.475 -0.417 8.798 1.00 0.00 C ATOM 904 NH1 ARG A 56 -10.988 0.459 9.647 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.260 -0.958 7.879 1.00 0.00 N ATOM 0 H ARG A 56 -5.887 -0.324 4.962 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.522 0.319 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.075 -1.325 7.264 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.009 -1.321 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.423 1.205 8.821 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.672 0.998 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.625 -0.452 10.303 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.581 0.975 9.955 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.914 -1.677 8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.401 0.870 10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.971 0.723 9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.884 -1.649 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.241 -0.684 7.820 1.00 0.00 H new ATOM 919 N PHE A 57 -3.735 -2.270 7.477 1.00 0.00 N ATOM 920 CA PHE A 57 -3.114 -3.571 7.303 1.00 0.00 C ATOM 921 C PHE A 57 -3.584 -4.442 8.451 1.00 0.00 C ATOM 922 O PHE A 57 -3.464 -4.054 9.613 1.00 0.00 O ATOM 923 CB PHE A 57 -1.571 -3.426 7.315 1.00 0.00 C ATOM 924 CG PHE A 57 -0.856 -4.698 6.943 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.514 -5.641 7.927 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.504 -4.950 5.609 1.00 0.00 C ATOM 927 CE1 PHE A 57 0.154 -6.822 7.581 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.175 -6.125 5.260 1.00 0.00 C ATOM 929 CZ PHE A 57 0.499 -7.065 6.245 1.00 0.00 C ATOM 0 H PHE A 57 -3.535 -1.844 8.382 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.392 -4.018 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.281 -2.637 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.249 -3.112 8.308 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.769 -5.453 8.960 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.759 -4.232 4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.403 -7.545 8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.448 -6.305 4.231 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.014 -7.976 5.976 1.00 0.00 H new ATOM 939 N ASP A 58 -4.159 -5.629 8.151 1.00 0.00 N ATOM 940 CA ASP A 58 -4.614 -6.610 9.133 1.00 0.00 C ATOM 941 C ASP A 58 -5.519 -6.027 10.242 1.00 0.00 C ATOM 942 O ASP A 58 -5.392 -6.332 11.427 1.00 0.00 O ATOM 943 CB ASP A 58 -3.356 -7.380 9.640 1.00 0.00 C ATOM 944 CG ASP A 58 -3.662 -8.695 10.314 1.00 0.00 C ATOM 945 OD1 ASP A 58 -4.477 -9.484 9.777 1.00 0.00 O ATOM 946 OD2 ASP A 58 -3.053 -8.977 11.383 1.00 0.00 O ATOM 0 H ASP A 58 -4.319 -5.929 7.189 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.294 -7.319 8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.692 -7.564 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.813 -6.744 10.339 1.00 0.00 H new ATOM 951 N GLY A 59 -6.460 -5.131 9.865 1.00 0.00 N ATOM 952 CA GLY A 59 -7.386 -4.486 10.794 1.00 0.00 C ATOM 953 C GLY A 59 -6.962 -3.139 11.338 1.00 0.00 C ATOM 954 O GLY A 59 -7.807 -2.376 11.809 1.00 0.00 O ATOM 0 H GLY A 59 -6.590 -4.840 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.346 -4.365 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.550 -5.159 11.636 1.00 0.00 H new ATOM 958 N GLN A 60 -5.656 -2.792 11.316 1.00 0.00 N ATOM 959 CA GLN A 60 -5.143 -1.593 11.973 1.00 0.00 C ATOM 960 C GLN A 60 -4.459 -0.603 11.016 1.00 0.00 C ATOM 961 O GLN A 60 -3.909 -1.011 9.991 1.00 0.00 O ATOM 962 CB GLN A 60 -4.176 -1.971 13.125 1.00 0.00 C ATOM 963 CG GLN A 60 -4.901 -2.745 14.252 1.00 0.00 C ATOM 964 CD GLN A 60 -4.095 -2.807 15.547 1.00 0.00 C ATOM 965 OE1 GLN A 60 -2.913 -2.438 15.602 1.00 0.00 O ATOM 966 NE2 GLN A 60 -4.744 -3.253 16.638 1.00 0.00 N ATOM 0 H GLN A 60 -4.939 -3.340 10.841 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.017 -1.080 12.375 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.362 -2.580 12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.728 -1.066 13.535 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.862 -2.271 14.451 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.111 -3.759 13.912 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -5.717 -3.551 16.566 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.263 -3.293 17.537 1.00 0.00 H new ATOM 975 N PRO A 61 -4.463 0.715 11.260 1.00 0.00 N ATOM 976 CA PRO A 61 -3.774 1.684 10.407 1.00 0.00 C ATOM 977 C PRO A 61 -2.254 1.590 10.516 1.00 0.00 C ATOM 978 O PRO A 61 -1.680 1.940 11.545 1.00 0.00 O ATOM 979 CB PRO A 61 -4.315 3.044 10.884 1.00 0.00 C ATOM 980 CG PRO A 61 -4.680 2.816 12.354 1.00 0.00 C ATOM 981 CD PRO A 61 -5.159 1.365 12.378 1.00 0.00 C ATOM 0 HA PRO A 61 -3.964 1.509 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.566 3.829 10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.184 3.352 10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.822 2.967 13.009 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.459 3.502 12.686 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.916 0.885 13.326 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.241 1.305 12.258 1.00 0.00 H new ATOM 989 N ILE A 62 -1.574 1.118 9.460 1.00 0.00 N ATOM 990 CA ILE A 62 -0.134 0.920 9.458 1.00 0.00 C ATOM 991 C ILE A 62 0.644 2.186 9.086 1.00 0.00 C ATOM 992 O ILE A 62 0.150 3.085 8.406 1.00 0.00 O ATOM 993 CB ILE A 62 0.226 -0.266 8.556 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.644 -0.830 8.832 1.00 0.00 C ATOM 995 CG2 ILE A 62 0.013 0.093 7.065 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.882 -2.219 8.226 1.00 0.00 C ATOM 0 H ILE A 62 -2.022 0.863 8.579 1.00 0.00 H new ATOM 0 HA ILE A 62 0.171 0.688 10.478 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.459 -1.077 8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.385 -0.137 8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.802 -0.881 9.909 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.275 -0.763 6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.032 0.355 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.646 0.940 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.894 -2.549 8.459 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.164 -2.926 8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.757 -2.170 7.144 1.00 0.00 H new ATOM 1008 N ASN A 63 1.912 2.282 9.537 1.00 0.00 N ATOM 1009 CA ASN A 63 2.844 3.321 9.149 1.00 0.00 C ATOM 1010 C ASN A 63 3.361 3.077 7.724 1.00 0.00 C ATOM 1011 O ASN A 63 3.600 1.947 7.311 1.00 0.00 O ATOM 1012 CB ASN A 63 3.998 3.343 10.191 1.00 0.00 C ATOM 1013 CG ASN A 63 4.998 4.471 9.978 1.00 0.00 C ATOM 1014 OD1 ASN A 63 6.167 4.225 9.672 1.00 0.00 O ATOM 1015 ND2 ASN A 63 4.558 5.735 10.143 1.00 0.00 N ATOM 0 H ASN A 63 2.310 1.614 10.197 1.00 0.00 H new ATOM 0 HA ASN A 63 2.352 4.294 9.138 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.571 3.433 11.190 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.526 2.390 10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.198 6.519 10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.585 5.907 10.396 1.00 0.00 H new ATOM 1022 N GLU A 64 3.532 4.145 6.927 1.00 0.00 N ATOM 1023 CA GLU A 64 3.855 4.071 5.514 1.00 0.00 C ATOM 1024 C GLU A 64 5.346 4.186 5.231 1.00 0.00 C ATOM 1025 O GLU A 64 5.824 3.808 4.161 1.00 0.00 O ATOM 1026 CB GLU A 64 3.070 5.158 4.718 1.00 0.00 C ATOM 1027 CG GLU A 64 2.627 6.432 5.493 1.00 0.00 C ATOM 1028 CD GLU A 64 3.732 7.224 6.168 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.116 6.854 7.312 1.00 0.00 O ATOM 1030 OE2 GLU A 64 4.170 8.267 5.622 1.00 0.00 O ATOM 0 H GLU A 64 3.445 5.103 7.267 1.00 0.00 H new ATOM 0 HA GLU A 64 3.550 3.079 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.689 5.473 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.178 4.691 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.108 7.092 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.904 6.136 6.253 1.00 0.00 H new ATOM 1037 N ASN A 65 6.134 4.721 6.178 1.00 0.00 N ATOM 1038 CA ASN A 65 7.552 4.962 6.000 1.00 0.00 C ATOM 1039 C ASN A 65 8.422 3.700 6.047 1.00 0.00 C ATOM 1040 O ASN A 65 9.509 3.666 5.474 1.00 0.00 O ATOM 1041 CB ASN A 65 8.016 5.994 7.065 1.00 0.00 C ATOM 1042 CG ASN A 65 9.406 6.539 6.755 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.711 6.941 5.629 1.00 0.00 O ATOM 1044 ND2 ASN A 65 10.293 6.544 7.772 1.00 0.00 N ATOM 0 H ASN A 65 5.787 4.998 7.097 1.00 0.00 H new ATOM 0 HA ASN A 65 7.687 5.353 4.991 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.304 6.818 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.020 5.525 8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.242 6.886 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.015 6.206 8.693 1.00 0.00 H new ATOM 1051 N ASP A 66 8.005 2.637 6.757 1.00 0.00 N ATOM 1052 CA ASP A 66 8.861 1.492 6.994 1.00 0.00 C ATOM 1053 C ASP A 66 8.939 0.477 5.833 1.00 0.00 C ATOM 1054 O ASP A 66 8.273 0.584 4.803 1.00 0.00 O ATOM 1055 CB ASP A 66 8.450 0.836 8.343 1.00 0.00 C ATOM 1056 CG ASP A 66 9.577 0.058 8.992 1.00 0.00 C ATOM 1057 OD1 ASP A 66 10.748 0.199 8.544 1.00 0.00 O ATOM 1058 OD2 ASP A 66 9.304 -0.708 9.942 1.00 0.00 O ATOM 0 H ASP A 66 7.076 2.560 7.172 1.00 0.00 H new ATOM 0 HA ASP A 66 9.885 1.860 7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.110 1.612 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.606 0.168 8.173 1.00 0.00 H new ATOM 1063 N THR A 67 9.819 -0.530 5.982 1.00 0.00 N ATOM 1064 CA THR A 67 10.118 -1.568 4.998 1.00 0.00 C ATOM 1065 C THR A 67 9.824 -2.963 5.531 1.00 0.00 C ATOM 1066 O THR A 67 9.991 -3.211 6.724 1.00 0.00 O ATOM 1067 CB THR A 67 11.574 -1.573 4.525 1.00 0.00 C ATOM 1068 OG1 THR A 67 12.491 -1.093 5.508 1.00 0.00 O ATOM 1069 CG2 THR A 67 11.661 -0.615 3.337 1.00 0.00 C ATOM 0 H THR A 67 10.364 -0.641 6.837 1.00 0.00 H new ATOM 0 HA THR A 67 9.468 -1.322 4.158 1.00 0.00 H new ATOM 0 HB THR A 67 11.842 -2.603 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.275 -1.490 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.686 -0.587 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.997 -0.958 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.362 0.385 3.653 1.00 0.00 H new ATOM 1077 N PRO A 68 9.425 -3.950 4.724 1.00 0.00 N ATOM 1078 CA PRO A 68 9.130 -5.308 5.206 1.00 0.00 C ATOM 1079 C PRO A 68 10.377 -6.115 5.548 1.00 0.00 C ATOM 1080 O PRO A 68 10.249 -7.216 6.082 1.00 0.00 O ATOM 1081 CB PRO A 68 8.361 -5.938 4.034 1.00 0.00 C ATOM 1082 CG PRO A 68 8.906 -5.209 2.806 1.00 0.00 C ATOM 1083 CD PRO A 68 9.066 -3.780 3.314 1.00 0.00 C ATOM 0 HA PRO A 68 8.570 -5.291 6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.536 -7.012 3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.285 -5.796 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.855 -5.630 2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.218 -5.265 1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.841 -3.245 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.144 -3.210 3.202 1.00 0.00 H new ATOM 1091 N THR A 69 11.592 -5.589 5.291 1.00 0.00 N ATOM 1092 CA THR A 69 12.840 -6.089 5.861 1.00 0.00 C ATOM 1093 C THR A 69 12.961 -5.727 7.329 1.00 0.00 C ATOM 1094 O THR A 69 13.526 -6.473 8.120 1.00 0.00 O ATOM 1095 CB THR A 69 14.087 -5.543 5.178 1.00 0.00 C ATOM 1096 OG1 THR A 69 13.980 -4.139 4.974 1.00 0.00 O ATOM 1097 CG2 THR A 69 14.251 -6.171 3.788 1.00 0.00 C ATOM 0 H THR A 69 11.726 -4.791 4.670 1.00 0.00 H new ATOM 0 HA THR A 69 12.790 -7.168 5.713 1.00 0.00 H new ATOM 0 HB THR A 69 14.933 -5.778 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.792 -3.809 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.146 -5.771 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.344 -7.253 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.379 -5.936 3.177 1.00 0.00 H new ATOM 1105 N SER A 70 12.391 -4.585 7.765 1.00 0.00 N ATOM 1106 CA SER A 70 12.458 -4.110 9.143 1.00 0.00 C ATOM 1107 C SER A 70 11.715 -5.014 10.105 1.00 0.00 C ATOM 1108 O SER A 70 12.141 -5.234 11.236 1.00 0.00 O ATOM 1109 CB SER A 70 11.857 -2.693 9.308 1.00 0.00 C ATOM 1110 OG SER A 70 12.504 -1.740 8.463 1.00 0.00 O ATOM 0 H SER A 70 11.865 -3.964 7.151 1.00 0.00 H new ATOM 0 HA SER A 70 13.523 -4.102 9.376 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.792 -2.721 9.076 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.949 -2.378 10.348 1.00 0.00 H new ATOM 0 HG SER A 70 12.150 -0.845 8.648 1.00 0.00 H new ATOM 1116 N LEU A 71 10.582 -5.594 9.659 1.00 0.00 N ATOM 1117 CA LEU A 71 9.823 -6.566 10.430 1.00 0.00 C ATOM 1118 C LEU A 71 10.179 -8.001 10.039 1.00 0.00 C ATOM 1119 O LEU A 71 9.535 -8.941 10.494 1.00 0.00 O ATOM 1120 CB LEU A 71 8.288 -6.380 10.265 1.00 0.00 C ATOM 1121 CG LEU A 71 7.719 -5.022 10.729 1.00 0.00 C ATOM 1122 CD1 LEU A 71 7.734 -3.958 9.621 1.00 0.00 C ATOM 1123 CD2 LEU A 71 6.281 -5.196 11.245 1.00 0.00 C ATOM 0 H LEU A 71 10.176 -5.391 8.746 1.00 0.00 H new ATOM 0 HA LEU A 71 10.094 -6.390 11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.036 -6.517 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.784 -7.172 10.820 1.00 0.00 H new ATOM 0 HG LEU A 71 8.369 -4.671 11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.322 -3.025 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.759 -3.792 9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.131 -4.300 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.891 -4.231 11.569 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.653 -5.591 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.278 -5.890 12.086 1.00 0.00 H new ATOM 1135 N GLU A 72 11.203 -8.184 9.174 1.00 0.00 N ATOM 1136 CA GLU A 72 11.672 -9.447 8.609 1.00 0.00 C ATOM 1137 C GLU A 72 10.580 -10.428 8.167 1.00 0.00 C ATOM 1138 O GLU A 72 10.460 -11.554 8.649 1.00 0.00 O ATOM 1139 CB GLU A 72 12.786 -10.080 9.490 1.00 0.00 C ATOM 1140 CG GLU A 72 14.008 -9.130 9.627 1.00 0.00 C ATOM 1141 CD GLU A 72 15.270 -9.737 10.217 1.00 0.00 C ATOM 1142 OE1 GLU A 72 15.668 -10.846 9.775 1.00 0.00 O ATOM 1143 OE2 GLU A 72 15.944 -9.051 11.029 1.00 0.00 O ATOM 0 H GLU A 72 11.753 -7.394 8.837 1.00 0.00 H new ATOM 0 HA GLU A 72 12.127 -9.185 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.386 -10.306 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.105 -11.026 9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.247 -8.736 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.714 -8.282 10.246 1.00 0.00 H new ATOM 1150 N MET A 73 9.727 -9.989 7.217 1.00 0.00 N ATOM 1151 CA MET A 73 8.501 -10.688 6.861 1.00 0.00 C ATOM 1152 C MET A 73 8.608 -11.675 5.701 1.00 0.00 C ATOM 1153 O MET A 73 9.597 -11.749 4.971 1.00 0.00 O ATOM 1154 CB MET A 73 7.375 -9.657 6.582 1.00 0.00 C ATOM 1155 CG MET A 73 6.812 -9.057 7.885 1.00 0.00 C ATOM 1156 SD MET A 73 5.788 -10.232 8.824 1.00 0.00 S ATOM 1157 CE MET A 73 5.915 -9.336 10.395 1.00 0.00 C ATOM 0 H MET A 73 9.882 -9.135 6.681 1.00 0.00 H new ATOM 0 HA MET A 73 8.268 -11.308 7.726 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.763 -8.857 5.951 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.570 -10.139 6.027 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.639 -8.723 8.512 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.217 -8.176 7.645 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.283 -9.818 11.141 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.950 -9.345 10.736 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.589 -8.306 10.254 1.00 0.00 H new ATOM 1167 N GLU A 74 7.534 -12.475 5.526 1.00 0.00 N ATOM 1168 CA GLU A 74 7.380 -13.533 4.538 1.00 0.00 C ATOM 1169 C GLU A 74 6.985 -12.973 3.162 1.00 0.00 C ATOM 1170 O GLU A 74 7.737 -12.209 2.564 1.00 0.00 O ATOM 1171 CB GLU A 74 6.332 -14.537 5.097 1.00 0.00 C ATOM 1172 CG GLU A 74 6.299 -15.939 4.438 1.00 0.00 C ATOM 1173 CD GLU A 74 5.086 -16.734 4.891 1.00 0.00 C ATOM 1174 OE1 GLU A 74 4.688 -16.621 6.079 1.00 0.00 O ATOM 1175 OE2 GLU A 74 4.513 -17.479 4.054 1.00 0.00 O ATOM 0 H GLU A 74 6.706 -12.383 6.115 1.00 0.00 H new ATOM 0 HA GLU A 74 8.328 -14.045 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.517 -14.665 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.343 -14.089 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.282 -15.833 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.209 -16.484 4.691 1.00 0.00 H new ATOM 1182 N GLU A 75 5.797 -13.340 2.635 1.00 0.00 N ATOM 1183 CA GLU A 75 5.145 -12.706 1.505 1.00 0.00 C ATOM 1184 C GLU A 75 3.660 -13.008 1.625 1.00 0.00 C ATOM 1185 O GLU A 75 3.273 -14.038 2.181 1.00 0.00 O ATOM 1186 CB GLU A 75 5.646 -13.204 0.109 1.00 0.00 C ATOM 1187 CG GLU A 75 5.230 -14.655 -0.264 1.00 0.00 C ATOM 1188 CD GLU A 75 5.555 -15.094 -1.682 1.00 0.00 C ATOM 1189 OE1 GLU A 75 5.506 -14.296 -2.645 1.00 0.00 O ATOM 1190 OE2 GLU A 75 5.780 -16.328 -1.848 1.00 0.00 O ATOM 0 H GLU A 75 5.257 -14.119 3.012 1.00 0.00 H new ATOM 0 HA GLU A 75 5.376 -11.641 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.269 -12.527 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.734 -13.138 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.717 -15.341 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.156 -14.755 -0.110 1.00 0.00 H new ATOM 1197 N GLY A 76 2.776 -12.145 1.096 1.00 0.00 N ATOM 1198 CA GLY A 76 1.330 -12.385 1.081 1.00 0.00 C ATOM 1199 C GLY A 76 0.653 -11.299 1.842 1.00 0.00 C ATOM 1200 O GLY A 76 -0.048 -11.516 2.829 1.00 0.00 O ATOM 0 H GLY A 76 3.049 -11.261 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.963 -12.412 0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.104 -13.354 1.526 1.00 0.00 H new ATOM 1204 N ASP A 77 0.911 -10.070 1.403 1.00 0.00 N ATOM 1205 CA ASP A 77 0.894 -8.908 2.245 1.00 0.00 C ATOM 1206 C ASP A 77 -0.447 -8.187 2.118 1.00 0.00 C ATOM 1207 O ASP A 77 -0.674 -7.383 1.214 1.00 0.00 O ATOM 1208 CB ASP A 77 2.114 -8.024 1.862 1.00 0.00 C ATOM 1209 CG ASP A 77 3.371 -8.879 1.728 1.00 0.00 C ATOM 1210 OD1 ASP A 77 3.596 -9.463 0.627 1.00 0.00 O ATOM 1211 OD2 ASP A 77 4.116 -8.977 2.726 1.00 0.00 O ATOM 0 H ASP A 77 1.141 -9.865 0.431 1.00 0.00 H new ATOM 0 HA ASP A 77 0.987 -9.173 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.916 -7.508 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.268 -7.257 2.621 1.00 0.00 H new ATOM 1216 N THR A 78 -1.407 -8.509 3.010 1.00 0.00 N ATOM 1217 CA THR A 78 -2.798 -8.076 2.907 1.00 0.00 C ATOM 1218 C THR A 78 -3.074 -6.685 3.453 1.00 0.00 C ATOM 1219 O THR A 78 -3.277 -6.487 4.652 1.00 0.00 O ATOM 1220 CB THR A 78 -3.786 -9.029 3.573 1.00 0.00 C ATOM 1221 OG1 THR A 78 -3.464 -9.257 4.940 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.743 -10.392 2.869 1.00 0.00 C ATOM 0 H THR A 78 -1.225 -9.086 3.831 1.00 0.00 H new ATOM 0 HA THR A 78 -2.952 -8.069 1.828 1.00 0.00 H new ATOM 0 HB THR A 78 -4.770 -8.566 3.501 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.272 -8.402 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.450 -11.071 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.011 -10.268 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.737 -10.806 2.940 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.146 -5.690 2.554 1.00 0.00 N ATOM 1231 CA ILE A 79 -3.526 -4.327 2.869 1.00 0.00 C ATOM 1232 C ILE A 79 -4.954 -4.091 2.385 1.00 0.00 C ATOM 1233 O ILE A 79 -5.320 -4.408 1.253 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.510 -3.319 2.313 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -2.741 -1.890 2.861 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.450 -3.358 0.772 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -1.636 -0.897 2.477 1.00 0.00 C ATOM 0 H ILE A 79 -2.934 -5.828 1.566 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.512 -4.172 3.948 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.528 -3.626 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.696 -1.518 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.816 -1.935 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.720 -2.630 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.157 -4.355 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.431 -3.116 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.866 0.083 2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.681 -1.245 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.575 -0.822 1.391 1.00 0.00 H new ATOM 1249 N GLU A 80 -5.839 -3.556 3.246 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.194 -3.223 2.858 1.00 0.00 C ATOM 1251 C GLU A 80 -7.247 -1.762 2.443 1.00 0.00 C ATOM 1252 O GLU A 80 -6.588 -0.897 3.024 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.251 -3.521 3.960 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.008 -2.766 5.285 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.141 -2.845 6.292 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.307 -2.528 5.950 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -8.855 -3.089 7.496 1.00 0.00 O ATOM 0 H GLU A 80 -5.623 -3.349 4.221 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.458 -3.867 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.239 -3.260 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.259 -4.592 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.104 -3.160 5.748 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.818 -1.717 5.057 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.023 -1.464 1.390 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.227 -0.121 0.888 1.00 0.00 C ATOM 1266 C VAL A 81 -9.700 0.220 0.964 1.00 0.00 C ATOM 1267 O VAL A 81 -10.553 -0.346 0.283 1.00 0.00 O ATOM 1268 CB VAL A 81 -7.681 0.056 -0.527 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.254 1.312 -1.220 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.148 0.159 -0.423 1.00 0.00 C ATOM 0 H VAL A 81 -8.531 -2.173 0.862 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.666 0.572 1.515 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.979 -0.797 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.837 1.396 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.339 1.229 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.991 2.198 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.724 0.287 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.882 1.015 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.752 -0.752 0.026 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.034 1.204 1.806 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.345 1.786 1.901 1.00 0.00 C ATOM 1282 C TYR A 82 -11.458 2.897 0.856 1.00 0.00 C ATOM 1283 O TYR A 82 -10.781 3.924 0.931 1.00 0.00 O ATOM 1284 CB TYR A 82 -11.563 2.298 3.350 1.00 0.00 C ATOM 1285 CG TYR A 82 -12.941 2.857 3.553 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -14.014 2.021 3.894 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -13.174 4.229 3.366 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -15.310 2.544 4.015 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -14.469 4.749 3.482 1.00 0.00 C ATOM 1290 CZ TYR A 82 -15.542 3.901 3.781 1.00 0.00 C ATOM 1291 OH TYR A 82 -16.860 4.394 3.821 1.00 0.00 O ATOM 0 H TYR A 82 -9.365 1.619 2.455 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.127 1.056 1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.398 1.480 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.824 3.066 3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.842 0.969 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.350 4.887 3.131 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.129 1.896 4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.640 5.806 3.341 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.865 5.337 3.556 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.320 2.681 -0.154 1.00 0.00 N ATOM 1302 CA GLN A 83 -12.653 3.637 -1.187 1.00 0.00 C ATOM 1303 C GLN A 83 -14.120 4.011 -1.060 1.00 0.00 C ATOM 1304 O GLN A 83 -14.972 3.178 -0.763 1.00 0.00 O ATOM 1305 CB GLN A 83 -12.396 3.045 -2.603 1.00 0.00 C ATOM 1306 CG GLN A 83 -11.015 3.388 -3.219 1.00 0.00 C ATOM 1307 CD GLN A 83 -11.037 4.668 -4.057 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -10.899 4.651 -5.282 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -11.212 5.835 -3.403 1.00 0.00 N ATOM 0 H GLN A 83 -12.815 1.796 -0.263 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.022 4.517 -1.063 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.493 1.961 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.175 3.402 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.283 3.496 -2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.685 2.557 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.325 5.840 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.231 6.713 -3.922 1.00 0.00 H new ATOM 1318 N GLN A 84 -14.441 5.291 -1.299 1.00 0.00 N ATOM 1319 CA GLN A 84 -15.802 5.775 -1.385 1.00 0.00 C ATOM 1320 C GLN A 84 -15.783 6.924 -2.376 1.00 0.00 C ATOM 1321 O GLN A 84 -14.699 7.349 -2.779 1.00 0.00 O ATOM 1322 CB GLN A 84 -16.371 6.195 0.000 1.00 0.00 C ATOM 1323 CG GLN A 84 -15.600 7.337 0.702 1.00 0.00 C ATOM 1324 CD GLN A 84 -16.118 7.586 2.117 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -16.939 6.860 2.688 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -15.577 8.641 2.764 1.00 0.00 N ATOM 0 H GLN A 84 -13.742 6.020 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.472 4.985 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.409 6.502 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -16.375 5.323 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -14.539 7.088 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.691 8.251 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.900 9.238 2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -15.846 8.841 3.727 1.00 0.00 H new