USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 748 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 46 MET CE :methyl -131:sc= 0 (180deg=-0.00526) USER MOD Set 1.2: A 49 LYS NZ :NH3+ -153:sc= 0.209 (180deg=0.0291) USER MOD Set 1.3: A 74 MET CE :methyl -151:sc= -0.129 (180deg=-0.783) USER MOD Set 2.1: A 18 CYS SG : rot 73:sc= 1.14 USER MOD Set 2.2: A 21 CYS SG : rot -50:sc= -2.81 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -1.96 K(o=-6.2,f=-6.8) USER MOD Set 2.4: A 35 CYS SG : rot -59:sc= 0.267 USER MOD Set 2.5: A 39 HIS : no HD1:sc= -2.88! C(o=-6.2!,f=-6.8!) USER MOD Single : A 14 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.35) USER MOD Single : A 15 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 16 THR OG1 : rot 150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.314 USER MOD Single : A 31 THR OG1 : rot -77:sc= 0.617 USER MOD Single : A 33 SER OG : rot -79:sc= 0.32 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.9) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= -4.18 X(o=-4.2,f=-4.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 159:sc= 1.06 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5.7!) USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.26) USER MOD Single : A 68 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.0052) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 110:sc= -0.306 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -3.03! C(o=-3!,f=-2.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 132:sc= -0.565 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= -0.0128 (180deg=-0.155) USER MOD Single : A 100 GLN : amide:sc= -0.852 K(o=-0.85,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 153 N GLN A 14 2.639 9.734 16.837 1.00 0.00 N ATOM 154 CA GLN A 14 2.173 9.973 15.476 1.00 0.00 C ATOM 155 C GLN A 14 1.436 8.754 14.931 1.00 0.00 C ATOM 156 O GLN A 14 1.991 7.656 14.868 1.00 0.00 O ATOM 157 CB GLN A 14 3.351 10.320 14.564 1.00 0.00 C ATOM 158 CG GLN A 14 4.521 9.357 14.688 1.00 0.00 C ATOM 159 CD GLN A 14 5.501 9.767 15.770 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.120 10.829 15.694 1.00 0.00 O ATOM 161 NE2 GLN A 14 5.648 8.924 16.786 1.00 0.00 N ATOM 0 HA GLN A 14 1.480 10.814 15.499 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.008 10.330 13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.695 11.328 14.796 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.143 8.358 14.905 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.043 9.300 13.733 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.115 8.055 16.809 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.294 9.146 17.544 1.00 0.00 H new ATOM 170 N HIS A 15 0.181 8.954 14.539 1.00 0.00 N ATOM 171 CA HIS A 15 -0.633 7.870 13.999 1.00 0.00 C ATOM 172 C HIS A 15 -1.047 8.167 12.561 1.00 0.00 C ATOM 173 O HIS A 15 -1.093 9.325 12.143 1.00 0.00 O ATOM 174 CB HIS A 15 -1.873 7.656 14.866 1.00 0.00 C ATOM 175 CG HIS A 15 -1.584 6.969 16.165 1.00 0.00 C ATOM 176 ND1 HIS A 15 -1.080 7.626 17.268 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.734 5.676 16.536 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.930 6.766 18.260 1.00 0.00 C ATOM 179 NE2 HIS A 15 -1.320 5.576 17.841 1.00 0.00 N ATOM 0 H HIS A 15 -0.294 9.856 14.585 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.034 6.960 14.005 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.335 8.622 15.070 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.600 7.067 14.307 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.110 4.872 15.920 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.553 6.997 19.245 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.315 4.721 18.397 1.00 0.00 H new ATOM 187 N THR A 16 -1.349 7.114 11.808 1.00 0.00 N ATOM 188 CA THR A 16 -1.758 7.261 10.417 1.00 0.00 C ATOM 189 C THR A 16 -3.013 6.448 10.123 1.00 0.00 C ATOM 190 O THR A 16 -3.075 5.244 10.376 1.00 0.00 O ATOM 191 CB THR A 16 -0.639 6.823 9.453 1.00 0.00 C ATOM 192 OG1 THR A 16 -1.056 7.017 8.097 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.276 5.362 9.673 1.00 0.00 C ATOM 0 H THR A 16 -1.318 6.150 12.139 1.00 0.00 H new ATOM 0 HA THR A 16 -1.969 8.319 10.261 1.00 0.00 H new ATOM 0 HB THR A 16 0.241 7.434 9.653 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.274 7.209 7.539 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.516 5.076 8.981 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.069 5.223 10.697 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.153 4.739 9.498 1.00 0.00 H new ATOM 201 N PRO A 17 -4.039 7.117 9.577 1.00 0.00 N ATOM 202 CA PRO A 17 -5.311 6.474 9.236 1.00 0.00 C ATOM 203 C PRO A 17 -5.180 5.517 8.057 1.00 0.00 C ATOM 204 O PRO A 17 -4.174 5.524 7.346 1.00 0.00 O ATOM 205 CB PRO A 17 -6.217 7.653 8.869 1.00 0.00 C ATOM 206 CG PRO A 17 -5.282 8.725 8.427 1.00 0.00 C ATOM 207 CD PRO A 17 -4.035 8.552 9.248 1.00 0.00 C ATOM 0 HA PRO A 17 -5.691 5.864 10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.915 7.384 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.813 7.975 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.064 8.638 7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.718 9.712 8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.143 8.833 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.056 9.170 10.146 1.00 0.00 H new ATOM 215 N CYS A 18 -6.202 4.693 7.853 1.00 0.00 N ATOM 216 CA CYS A 18 -6.202 3.729 6.759 1.00 0.00 C ATOM 217 C CYS A 18 -6.643 4.386 5.454 1.00 0.00 C ATOM 218 O CYS A 18 -7.219 5.475 5.458 1.00 0.00 O ATOM 219 CB CYS A 18 -7.123 2.552 7.088 1.00 0.00 C ATOM 220 SG CYS A 18 -7.007 1.166 5.912 1.00 0.00 S ATOM 0 H CYS A 18 -7.042 4.673 8.432 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.184 3.360 6.633 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.886 2.187 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.153 2.907 7.114 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.886 0.534 6.095 1.00 0.00 H new ATOM 225 N LEU A 19 -6.370 3.717 4.340 1.00 0.00 N ATOM 226 CA LEU A 19 -6.739 4.234 3.027 1.00 0.00 C ATOM 227 C LEU A 19 -8.192 3.904 2.700 1.00 0.00 C ATOM 228 O LEU A 19 -8.945 4.760 2.236 1.00 0.00 O ATOM 229 CB LEU A 19 -5.818 3.656 1.951 1.00 0.00 C ATOM 230 CG LEU A 19 -4.319 3.716 2.248 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.991 4.937 3.093 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.862 2.443 2.946 1.00 0.00 C ATOM 0 H LEU A 19 -5.894 2.815 4.319 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.628 5.318 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.094 2.615 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.005 4.187 1.018 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.784 3.800 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.920 4.963 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.281 5.840 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.536 4.884 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.793 2.503 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.404 2.328 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.061 1.585 2.304 1.00 0.00 H new ATOM 244 N PHE A 20 -8.580 2.657 2.946 1.00 0.00 N ATOM 245 CA PHE A 20 -9.943 2.213 2.679 1.00 0.00 C ATOM 246 C PHE A 20 -10.874 2.596 3.826 1.00 0.00 C ATOM 247 O PHE A 20 -11.965 3.122 3.605 1.00 0.00 O ATOM 248 CB PHE A 20 -9.976 0.698 2.465 1.00 0.00 C ATOM 249 CG PHE A 20 -9.062 0.228 1.370 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.495 0.195 0.054 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.770 -0.181 1.656 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.656 -0.238 -0.955 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.926 -0.615 0.651 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.369 -0.643 -0.657 1.00 0.00 C ATOM 0 H PHE A 20 -7.969 1.936 3.330 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.289 2.709 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.701 0.201 3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.996 0.394 2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.499 0.511 -0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.418 -0.161 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.006 -0.260 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.921 -0.932 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.711 -0.980 -1.444 1.00 0.00 H new ATOM 264 N CYS A 21 -10.435 2.328 5.051 1.00 0.00 N ATOM 265 CA CYS A 21 -11.228 2.643 6.233 1.00 0.00 C ATOM 266 C CYS A 21 -10.623 3.818 6.996 1.00 0.00 C ATOM 267 O CYS A 21 -9.655 4.431 6.547 1.00 0.00 O ATOM 268 CB CYS A 21 -11.323 1.421 7.149 1.00 0.00 C ATOM 269 SG CYS A 21 -9.758 0.989 7.977 1.00 0.00 S ATOM 0 H CYS A 21 -9.534 1.893 5.251 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.229 2.922 5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.084 1.607 7.907 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.660 0.566 6.563 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.802 0.936 7.098 1.00 0.00 H new ATOM 274 N ASP A 22 -11.202 4.126 8.152 1.00 0.00 N ATOM 275 CA ASP A 22 -10.720 5.227 8.978 1.00 0.00 C ATOM 276 C ASP A 22 -10.071 4.704 10.256 1.00 0.00 C ATOM 277 O ASP A 22 -10.301 5.234 11.343 1.00 0.00 O ATOM 278 CB ASP A 22 -11.871 6.173 9.327 1.00 0.00 C ATOM 279 CG ASP A 22 -11.391 7.573 9.652 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.462 7.705 10.476 1.00 0.00 O ATOM 281 OD2 ASP A 22 -11.945 8.538 9.084 1.00 0.00 O ATOM 0 H ASP A 22 -12.005 3.629 8.538 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.969 5.775 8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.568 6.216 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.420 5.773 10.179 1.00 0.00 H new ATOM 286 N ARG A 23 -9.260 3.660 10.116 1.00 0.00 N ATOM 287 CA ARG A 23 -8.579 3.064 11.259 1.00 0.00 C ATOM 288 C ARG A 23 -7.202 3.688 11.458 1.00 0.00 C ATOM 289 O ARG A 23 -6.378 3.707 10.542 1.00 0.00 O ATOM 290 CB ARG A 23 -8.443 1.552 11.067 1.00 0.00 C ATOM 291 CG ARG A 23 -9.742 0.792 11.281 1.00 0.00 C ATOM 292 CD ARG A 23 -9.556 -0.701 11.057 1.00 0.00 C ATOM 293 NE ARG A 23 -10.687 -1.475 11.562 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.989 -1.578 12.852 1.00 0.00 C ATOM 295 NH1 ARG A 23 -10.249 -0.959 13.761 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.034 -2.301 13.234 1.00 0.00 N ATOM 0 H ARG A 23 -9.059 3.210 9.223 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.178 3.258 12.149 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.077 1.354 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.691 1.172 11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.105 0.967 12.294 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.504 1.171 10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.431 -0.895 9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.642 -1.031 11.551 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.277 -1.963 10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.445 -0.402 13.471 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.483 -1.040 14.750 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.606 -2.778 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.265 -2.380 14.224 1.00 0.00 H new ATOM 310 N LEU A 24 -6.957 4.199 12.660 1.00 0.00 N ATOM 311 CA LEU A 24 -5.679 4.825 12.979 1.00 0.00 C ATOM 312 C LEU A 24 -4.654 3.781 13.412 1.00 0.00 C ATOM 313 O LEU A 24 -4.967 2.868 14.176 1.00 0.00 O ATOM 314 CB LEU A 24 -5.861 5.866 14.085 1.00 0.00 C ATOM 315 CG LEU A 24 -6.709 7.086 13.725 1.00 0.00 C ATOM 316 CD1 LEU A 24 -7.077 7.869 14.976 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.971 7.976 12.735 1.00 0.00 C ATOM 0 H LEU A 24 -7.627 4.192 13.429 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.310 5.319 12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.313 5.376 14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.875 6.212 14.396 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.629 6.738 13.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.680 8.734 14.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.646 7.230 15.651 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.168 8.205 15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.590 8.839 12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.035 8.315 13.178 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.759 7.412 11.826 1.00 0.00 H new ATOM 329 N PHE A 25 -3.428 3.924 12.920 1.00 0.00 N ATOM 330 CA PHE A 25 -2.356 2.994 13.256 1.00 0.00 C ATOM 331 C PHE A 25 -1.123 3.743 13.752 1.00 0.00 C ATOM 332 O PHE A 25 -0.897 4.897 13.392 1.00 0.00 O ATOM 333 CB PHE A 25 -1.993 2.140 12.039 1.00 0.00 C ATOM 334 CG PHE A 25 -3.131 1.298 11.537 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.156 1.866 10.798 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.174 -0.061 11.803 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.205 1.093 10.335 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.220 -0.839 11.342 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.236 -0.261 10.607 1.00 0.00 C ATOM 0 H PHE A 25 -3.152 4.675 12.287 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.710 2.343 14.055 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.653 2.793 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.157 1.490 12.297 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.136 2.924 10.581 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.381 -0.518 12.377 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.999 1.547 9.761 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.242 -1.897 11.557 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.054 -0.867 10.245 1.00 0.00 H new ATOM 349 N ALA A 26 -0.328 3.076 14.583 1.00 0.00 N ATOM 350 CA ALA A 26 0.883 3.676 15.129 1.00 0.00 C ATOM 351 C ALA A 26 1.965 3.797 14.061 1.00 0.00 C ATOM 352 O ALA A 26 2.611 4.837 13.933 1.00 0.00 O ATOM 353 CB ALA A 26 1.391 2.861 16.308 1.00 0.00 C ATOM 0 H ALA A 26 -0.501 2.120 14.893 1.00 0.00 H new ATOM 0 HA ALA A 26 0.637 4.680 15.475 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.296 3.321 16.705 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.628 2.831 17.085 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.614 1.846 15.979 1.00 0.00 H new ATOM 359 N SER A 27 2.158 2.726 13.297 1.00 0.00 N ATOM 360 CA SER A 27 3.166 2.710 12.243 1.00 0.00 C ATOM 361 C SER A 27 2.534 2.384 10.893 1.00 0.00 C ATOM 362 O SER A 27 1.547 1.654 10.818 1.00 0.00 O ATOM 363 CB SER A 27 4.258 1.690 12.568 1.00 0.00 C ATOM 364 OG SER A 27 3.707 0.402 12.781 1.00 0.00 O ATOM 0 H SER A 27 1.630 1.858 13.388 1.00 0.00 H new ATOM 0 HA SER A 27 3.613 3.703 12.185 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.978 1.650 11.750 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.803 2.007 13.457 1.00 0.00 H new ATOM 0 HG SER A 27 4.426 -0.232 12.985 1.00 0.00 H new ATOM 370 N ALA A 28 3.113 2.931 9.829 1.00 0.00 N ATOM 371 CA ALA A 28 2.609 2.698 8.481 1.00 0.00 C ATOM 372 C ALA A 28 2.550 1.207 8.168 1.00 0.00 C ATOM 373 O ALA A 28 1.704 0.759 7.395 1.00 0.00 O ATOM 374 CB ALA A 28 3.477 3.420 7.461 1.00 0.00 C ATOM 0 H ALA A 28 3.931 3.538 9.874 1.00 0.00 H new ATOM 0 HA ALA A 28 1.595 3.095 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.089 3.237 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.464 4.491 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.500 3.050 7.527 1.00 0.00 H new ATOM 380 N GLU A 29 3.456 0.444 8.772 1.00 0.00 N ATOM 381 CA GLU A 29 3.507 -0.997 8.555 1.00 0.00 C ATOM 382 C GLU A 29 2.300 -1.686 9.185 1.00 0.00 C ATOM 383 O GLU A 29 1.742 -2.624 8.617 1.00 0.00 O ATOM 384 CB GLU A 29 4.799 -1.578 9.135 1.00 0.00 C ATOM 385 CG GLU A 29 6.057 -1.042 8.474 1.00 0.00 C ATOM 386 CD GLU A 29 6.448 0.330 8.988 1.00 0.00 C ATOM 387 OE1 GLU A 29 6.746 0.449 10.195 1.00 0.00 O ATOM 388 OE2 GLU A 29 6.455 1.285 8.183 1.00 0.00 O ATOM 0 H GLU A 29 4.164 0.799 9.415 1.00 0.00 H new ATOM 0 HA GLU A 29 3.486 -1.177 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.838 -1.360 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.778 -2.663 9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.878 -1.738 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.903 -0.992 7.396 1.00 0.00 H new ATOM 395 N GLU A 30 1.903 -1.211 10.361 1.00 0.00 N ATOM 396 CA GLU A 30 0.762 -1.782 11.069 1.00 0.00 C ATOM 397 C GLU A 30 -0.502 -1.702 10.218 1.00 0.00 C ATOM 398 O GLU A 30 -1.360 -2.583 10.275 1.00 0.00 O ATOM 399 CB GLU A 30 0.543 -1.056 12.398 1.00 0.00 C ATOM 400 CG GLU A 30 1.372 -1.615 13.541 1.00 0.00 C ATOM 401 CD GLU A 30 1.028 -3.057 13.860 1.00 0.00 C ATOM 402 OE1 GLU A 30 1.642 -3.962 13.257 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.144 -3.281 14.713 1.00 0.00 O ATOM 0 H GLU A 30 2.353 -0.433 10.844 1.00 0.00 H new ATOM 0 HA GLU A 30 0.979 -2.831 11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.782 -0.000 12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.512 -1.113 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.429 -1.546 13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.218 -1.003 14.430 1.00 0.00 H new ATOM 410 N THR A 31 -0.610 -0.638 9.428 1.00 0.00 N ATOM 411 CA THR A 31 -1.768 -0.440 8.566 1.00 0.00 C ATOM 412 C THR A 31 -1.739 -1.395 7.378 1.00 0.00 C ATOM 413 O THR A 31 -2.657 -2.194 7.189 1.00 0.00 O ATOM 414 CB THR A 31 -1.840 1.008 8.045 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.508 1.923 9.095 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.230 1.322 7.512 1.00 0.00 C ATOM 0 H THR A 31 0.091 0.100 9.368 1.00 0.00 H new ATOM 0 HA THR A 31 -2.651 -0.644 9.171 1.00 0.00 H new ATOM 0 HB THR A 31 -1.123 1.115 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.271 2.014 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.257 2.350 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.468 0.642 6.694 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.962 1.199 8.310 1.00 0.00 H new ATOM 424 N PHE A 32 -0.680 -1.308 6.581 1.00 0.00 N ATOM 425 CA PHE A 32 -0.532 -2.164 5.410 1.00 0.00 C ATOM 426 C PHE A 32 -1.002 -3.584 5.712 1.00 0.00 C ATOM 427 O PHE A 32 -1.926 -4.092 5.077 1.00 0.00 O ATOM 428 CB PHE A 32 0.927 -2.186 4.948 1.00 0.00 C ATOM 429 CG PHE A 32 1.383 -0.888 4.344 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.631 -0.264 3.362 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.564 -0.293 4.758 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.049 0.929 2.803 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.987 0.900 4.204 1.00 0.00 C ATOM 434 CZ PHE A 32 2.228 1.513 3.226 1.00 0.00 C ATOM 0 H PHE A 32 0.089 -0.653 6.725 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.152 -1.756 4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.566 -2.426 5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.056 -2.984 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.292 -0.715 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.161 -0.767 5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.455 1.404 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.910 1.353 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.555 2.447 2.793 1.00 0.00 H new ATOM 444 N SER A 33 -0.358 -4.220 6.686 1.00 0.00 N ATOM 445 CA SER A 33 -0.707 -5.582 7.071 1.00 0.00 C ATOM 446 C SER A 33 -2.210 -5.717 7.291 1.00 0.00 C ATOM 447 O SER A 33 -2.847 -6.632 6.768 1.00 0.00 O ATOM 448 CB SER A 33 0.045 -5.984 8.341 1.00 0.00 C ATOM 449 OG SER A 33 -0.072 -4.986 9.340 1.00 0.00 O ATOM 0 H SER A 33 0.408 -3.813 7.223 1.00 0.00 H new ATOM 0 HA SER A 33 -0.416 -6.248 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.349 -6.928 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.097 -6.148 8.108 1.00 0.00 H new ATOM 0 HG SER A 33 0.554 -4.257 9.149 1.00 0.00 H new ATOM 455 N HIS A 34 -2.772 -4.798 8.070 1.00 0.00 N ATOM 456 CA HIS A 34 -4.202 -4.813 8.361 1.00 0.00 C ATOM 457 C HIS A 34 -5.017 -4.901 7.074 1.00 0.00 C ATOM 458 O HIS A 34 -5.960 -5.688 6.978 1.00 0.00 O ATOM 459 CB HIS A 34 -4.597 -3.561 9.144 1.00 0.00 C ATOM 460 CG HIS A 34 -5.985 -3.082 8.848 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.116 -3.774 9.226 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.421 -1.973 8.206 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.188 -3.111 8.829 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.794 -2.014 8.208 1.00 0.00 N ATOM 0 H HIS A 34 -2.260 -4.034 8.511 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.416 -5.694 8.967 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.513 -3.768 10.211 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.890 -2.763 8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.804 -1.200 7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.212 -3.415 8.986 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.409 -1.312 7.797 1.00 0.00 H new ATOM 472 N CYS A 35 -4.648 -4.090 6.089 1.00 0.00 N ATOM 473 CA CYS A 35 -5.346 -4.075 4.809 1.00 0.00 C ATOM 474 C CYS A 35 -5.152 -5.395 4.069 1.00 0.00 C ATOM 475 O CYS A 35 -5.988 -5.793 3.257 1.00 0.00 O ATOM 476 CB CYS A 35 -4.849 -2.915 3.946 1.00 0.00 C ATOM 477 SG CYS A 35 -4.955 -1.299 4.750 1.00 0.00 S ATOM 0 H CYS A 35 -3.869 -3.434 6.152 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.410 -3.942 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.812 -3.102 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.428 -2.888 3.023 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.191 -1.052 5.067 1.00 0.00 H new ATOM 483 N LYS A 36 -4.043 -6.069 4.353 1.00 0.00 N ATOM 484 CA LYS A 36 -3.737 -7.343 3.715 1.00 0.00 C ATOM 485 C LYS A 36 -4.553 -8.472 4.336 1.00 0.00 C ATOM 486 O LYS A 36 -4.753 -9.520 3.719 1.00 0.00 O ATOM 487 CB LYS A 36 -2.243 -7.653 3.836 1.00 0.00 C ATOM 488 CG LYS A 36 -1.353 -6.639 3.138 1.00 0.00 C ATOM 489 CD LYS A 36 0.116 -6.895 3.427 1.00 0.00 C ATOM 490 CE LYS A 36 0.965 -5.669 3.128 1.00 0.00 C ATOM 491 NZ LYS A 36 2.283 -5.725 3.818 1.00 0.00 N ATOM 0 H LYS A 36 -3.341 -5.753 5.022 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.001 -7.265 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.973 -7.695 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.051 -8.641 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.526 -6.681 2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.619 -5.634 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.238 -7.177 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.465 -7.736 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.121 -5.589 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.430 -4.772 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.831 -4.872 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.135 -5.775 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.805 -6.567 3.502 1.00 0.00 H new ATOM 505 N LEU A 37 -5.024 -8.252 5.559 1.00 0.00 N ATOM 506 CA LEU A 37 -5.820 -9.251 6.263 1.00 0.00 C ATOM 507 C LEU A 37 -7.310 -9.020 6.034 1.00 0.00 C ATOM 508 O LEU A 37 -8.064 -9.963 5.795 1.00 0.00 O ATOM 509 CB LEU A 37 -5.511 -9.215 7.761 1.00 0.00 C ATOM 510 CG LEU A 37 -4.037 -9.343 8.146 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.775 -8.676 9.487 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.622 -10.807 8.186 1.00 0.00 C ATOM 0 H LEU A 37 -4.868 -7.391 6.083 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.558 -10.233 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.892 -8.278 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.063 -10.020 8.245 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.438 -8.836 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.721 -8.778 9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.033 -7.619 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.383 -9.153 10.256 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.570 -10.880 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.227 -11.337 8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.771 -11.254 7.203 1.00 0.00 H new ATOM 524 N GLU A 38 -7.726 -7.760 6.106 1.00 0.00 N ATOM 525 CA GLU A 38 -9.127 -7.406 5.904 1.00 0.00 C ATOM 526 C GLU A 38 -9.388 -7.025 4.450 1.00 0.00 C ATOM 527 O GLU A 38 -10.138 -7.700 3.744 1.00 0.00 O ATOM 528 CB GLU A 38 -9.521 -6.249 6.825 1.00 0.00 C ATOM 529 CG GLU A 38 -9.298 -6.541 8.299 1.00 0.00 C ATOM 530 CD GLU A 38 -10.468 -7.270 8.932 1.00 0.00 C ATOM 531 OE1 GLU A 38 -10.963 -8.240 8.321 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.888 -6.870 10.038 1.00 0.00 O ATOM 0 H GLU A 38 -7.114 -6.968 6.302 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.734 -8.278 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.948 -5.364 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.573 -6.011 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.395 -7.141 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.128 -5.604 8.830 1.00 0.00 H new ATOM 539 N HIS A 39 -8.763 -5.938 4.008 1.00 0.00 N ATOM 540 CA HIS A 39 -8.927 -5.466 2.637 1.00 0.00 C ATOM 541 C HIS A 39 -8.153 -6.348 1.663 1.00 0.00 C ATOM 542 O HIS A 39 -8.101 -6.068 0.465 1.00 0.00 O ATOM 543 CB HIS A 39 -8.457 -4.016 2.515 1.00 0.00 C ATOM 544 CG HIS A 39 -9.133 -3.085 3.475 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.461 -3.199 3.825 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.655 -2.019 4.159 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.772 -2.243 4.683 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.693 -1.514 4.902 1.00 0.00 N ATOM 0 H HIS A 39 -8.139 -5.368 4.579 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.986 -5.519 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.380 -3.976 2.680 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.636 -3.669 1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.645 -1.637 4.126 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.743 -2.085 5.129 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.639 -0.706 5.523 1.00 0.00 H new ATOM 556 N GLN A 40 -7.552 -7.412 2.185 1.00 0.00 N ATOM 557 CA GLN A 40 -6.779 -8.333 1.360 1.00 0.00 C ATOM 558 C GLN A 40 -6.071 -7.591 0.231 1.00 0.00 C ATOM 559 O GLN A 40 -5.906 -8.121 -0.867 1.00 0.00 O ATOM 560 CB GLN A 40 -7.688 -9.418 0.780 1.00 0.00 C ATOM 561 CG GLN A 40 -8.814 -8.871 -0.083 1.00 0.00 C ATOM 562 CD GLN A 40 -9.895 -9.899 -0.352 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.624 -10.980 -0.876 1.00 0.00 O ATOM 564 NE2 GLN A 40 -11.130 -9.568 0.008 1.00 0.00 N ATOM 0 H GLN A 40 -7.585 -7.658 3.174 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.024 -8.800 1.993 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.086 -10.105 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.117 -9.997 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.256 -8.005 0.409 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.404 -8.524 -1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.310 -8.661 0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.899 -10.221 -0.147 1.00 0.00 H new ATOM 573 N PHE A 41 -5.654 -6.360 0.510 1.00 0.00 N ATOM 574 CA PHE A 41 -4.964 -5.543 -0.482 1.00 0.00 C ATOM 575 C PHE A 41 -3.523 -5.275 -0.059 1.00 0.00 C ATOM 576 O PHE A 41 -3.273 -4.673 0.984 1.00 0.00 O ATOM 577 CB PHE A 41 -5.703 -4.219 -0.686 1.00 0.00 C ATOM 578 CG PHE A 41 -4.830 -3.124 -1.230 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.075 -2.334 -0.378 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.766 -2.884 -2.593 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.271 -1.326 -0.876 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.964 -1.878 -3.096 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.216 -1.097 -2.237 1.00 0.00 C ATOM 0 H PHE A 41 -5.782 -5.906 1.415 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.951 -6.092 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.538 -4.379 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.125 -3.897 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.115 -2.508 0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.350 -3.490 -3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.686 -0.718 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.922 -1.702 -4.161 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.590 -0.309 -2.628 1.00 0.00 H new ATOM 593 N ASN A 42 -2.579 -5.728 -0.878 1.00 0.00 N ATOM 594 CA ASN A 42 -1.162 -5.539 -0.589 1.00 0.00 C ATOM 595 C ASN A 42 -0.613 -4.324 -1.331 1.00 0.00 C ATOM 596 O ASN A 42 -0.821 -4.174 -2.536 1.00 0.00 O ATOM 597 CB ASN A 42 -0.369 -6.789 -0.977 1.00 0.00 C ATOM 598 CG ASN A 42 -0.582 -7.933 -0.005 1.00 0.00 C ATOM 599 OD1 ASN A 42 -1.713 -8.361 0.229 1.00 0.00 O ATOM 600 ND2 ASN A 42 0.506 -8.434 0.567 1.00 0.00 N ATOM 0 H ASN A 42 -2.770 -6.228 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.055 -5.368 0.482 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.663 -7.106 -1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.692 -6.544 -1.019 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.425 -9.205 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.423 -8.048 0.343 1.00 0.00 H new ATOM 607 N ILE A 43 0.089 -3.461 -0.605 1.00 0.00 N ATOM 608 CA ILE A 43 0.670 -2.261 -1.195 1.00 0.00 C ATOM 609 C ILE A 43 1.888 -2.602 -2.046 1.00 0.00 C ATOM 610 O ILE A 43 2.057 -2.072 -3.145 1.00 0.00 O ATOM 611 CB ILE A 43 1.081 -1.245 -0.113 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.635 0.026 -0.761 1.00 0.00 C ATOM 613 CG2 ILE A 43 2.108 -1.858 0.827 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.572 0.889 -1.404 1.00 0.00 C ATOM 0 H ILE A 43 0.269 -3.570 0.393 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.098 -1.815 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 43 0.199 -0.979 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.158 0.611 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.371 -0.252 -1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.388 -1.128 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.681 -2.737 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.992 -2.149 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.037 1.772 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.064 0.321 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.152 1.197 -0.650 1.00 0.00 H new ATOM 626 N ASP A 44 2.733 -3.489 -1.533 1.00 0.00 N ATOM 627 CA ASP A 44 3.935 -3.903 -2.247 1.00 0.00 C ATOM 628 C ASP A 44 3.595 -4.361 -3.662 1.00 0.00 C ATOM 629 O ASP A 44 4.192 -3.899 -4.635 1.00 0.00 O ATOM 630 CB ASP A 44 4.642 -5.027 -1.490 1.00 0.00 C ATOM 631 CG ASP A 44 5.032 -4.621 -0.082 1.00 0.00 C ATOM 632 OD1 ASP A 44 5.407 -3.446 0.115 1.00 0.00 O ATOM 633 OD2 ASP A 44 4.962 -5.478 0.823 1.00 0.00 O ATOM 0 H ASP A 44 2.608 -3.936 -0.625 1.00 0.00 H new ATOM 0 HA ASP A 44 4.603 -3.044 -2.313 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.989 -5.898 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.535 -5.326 -2.039 1.00 0.00 H new ATOM 638 N SER A 45 2.634 -5.273 -3.769 1.00 0.00 N ATOM 639 CA SER A 45 2.219 -5.797 -5.065 1.00 0.00 C ATOM 640 C SER A 45 1.936 -4.662 -6.045 1.00 0.00 C ATOM 641 O SER A 45 2.261 -4.755 -7.228 1.00 0.00 O ATOM 642 CB SER A 45 0.974 -6.673 -4.908 1.00 0.00 C ATOM 643 OG SER A 45 1.292 -7.904 -4.281 1.00 0.00 O ATOM 0 H SER A 45 2.128 -5.664 -2.974 1.00 0.00 H new ATOM 0 HA SER A 45 3.034 -6.402 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.225 -6.144 -4.319 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.533 -6.863 -5.887 1.00 0.00 H new ATOM 0 HG SER A 45 0.480 -8.445 -4.191 1.00 0.00 H new ATOM 649 N MET A 46 1.328 -3.593 -5.542 1.00 0.00 N ATOM 650 CA MET A 46 1.002 -2.439 -6.372 1.00 0.00 C ATOM 651 C MET A 46 2.270 -1.747 -6.863 1.00 0.00 C ATOM 652 O MET A 46 2.382 -1.394 -8.037 1.00 0.00 O ATOM 653 CB MET A 46 0.136 -1.449 -5.591 1.00 0.00 C ATOM 654 CG MET A 46 -1.181 -2.039 -5.114 1.00 0.00 C ATOM 655 SD MET A 46 -2.293 -2.445 -6.474 1.00 0.00 S ATOM 656 CE MET A 46 -2.964 -0.829 -6.857 1.00 0.00 C ATOM 0 H MET A 46 1.051 -3.502 -4.565 1.00 0.00 H new ATOM 0 HA MET A 46 0.443 -2.793 -7.239 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.697 -1.090 -4.729 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.070 -0.583 -6.221 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.982 -2.939 -4.532 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.672 -1.330 -4.447 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.050 -0.891 -6.919 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.685 -0.124 -6.074 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.565 -0.487 -7.812 1.00 0.00 H new ATOM 666 N VAL A 47 3.222 -1.555 -5.956 1.00 0.00 N ATOM 667 CA VAL A 47 4.482 -0.905 -6.297 1.00 0.00 C ATOM 668 C VAL A 47 5.169 -1.613 -7.459 1.00 0.00 C ATOM 669 O VAL A 47 5.779 -0.974 -8.317 1.00 0.00 O ATOM 670 CB VAL A 47 5.441 -0.872 -5.092 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.757 -0.211 -5.473 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.795 -0.154 -3.917 1.00 0.00 C ATOM 0 H VAL A 47 3.145 -1.840 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 47 4.241 0.117 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 47 5.652 -1.898 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.421 -0.197 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.225 -0.772 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.569 0.811 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.486 -0.140 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.553 0.869 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.882 -0.676 -3.629 1.00 0.00 H new ATOM 682 N HIS A 48 5.065 -2.938 -7.482 1.00 0.00 N ATOM 683 CA HIS A 48 5.676 -3.734 -8.541 1.00 0.00 C ATOM 684 C HIS A 48 4.758 -3.816 -9.757 1.00 0.00 C ATOM 685 O HIS A 48 5.222 -3.848 -10.897 1.00 0.00 O ATOM 686 CB HIS A 48 5.994 -5.141 -8.032 1.00 0.00 C ATOM 687 CG HIS A 48 7.087 -5.174 -7.009 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.426 -5.160 -7.338 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.034 -5.220 -5.657 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.149 -5.198 -6.233 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.328 -5.234 -5.199 1.00 0.00 N ATOM 0 H HIS A 48 4.564 -3.483 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 48 6.604 -3.246 -8.840 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.092 -5.576 -7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.279 -5.768 -8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.140 -5.242 -5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.228 -5.199 -6.184 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.610 -5.267 -4.219 1.00 0.00 H new ATOM 699 N LYS A 49 3.454 -3.851 -9.506 1.00 0.00 N ATOM 700 CA LYS A 49 2.470 -3.928 -10.580 1.00 0.00 C ATOM 701 C LYS A 49 2.640 -2.772 -11.559 1.00 0.00 C ATOM 702 O LYS A 49 3.048 -2.970 -12.704 1.00 0.00 O ATOM 703 CB LYS A 49 1.052 -3.916 -10.002 1.00 0.00 C ATOM 704 CG LYS A 49 0.009 -4.503 -10.937 1.00 0.00 C ATOM 705 CD LYS A 49 -1.341 -4.634 -10.254 1.00 0.00 C ATOM 706 CE LYS A 49 -2.147 -3.348 -10.362 1.00 0.00 C ATOM 707 NZ LYS A 49 -3.465 -3.461 -9.677 1.00 0.00 N ATOM 0 H LYS A 49 3.054 -3.827 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 49 2.630 -4.862 -11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.045 -4.476 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.775 -2.889 -9.761 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.088 -3.870 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.339 -5.482 -11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.900 -5.454 -10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.196 -4.887 -9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.580 -2.526 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.303 -3.104 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.145 -2.812 -10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.815 -4.437 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.357 -3.212 -8.673 1.00 0.00 H new ATOM 721 N HIS A 50 2.328 -1.563 -11.102 1.00 0.00 N ATOM 722 CA HIS A 50 2.449 -0.374 -11.938 1.00 0.00 C ATOM 723 C HIS A 50 3.779 0.331 -11.689 1.00 0.00 C ATOM 724 O HIS A 50 3.897 1.540 -11.885 1.00 0.00 O ATOM 725 CB HIS A 50 1.290 0.586 -11.667 1.00 0.00 C ATOM 726 CG HIS A 50 -0.050 0.024 -12.027 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.517 -0.039 -13.323 1.00 0.00 N ATOM 728 CD2 HIS A 50 -1.026 -0.505 -11.252 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.722 -0.580 -13.330 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.054 -0.873 -12.085 1.00 0.00 N ATOM 0 H HIS A 50 1.989 -1.381 -10.157 1.00 0.00 H new ATOM 0 HA HIS A 50 2.414 -0.688 -12.981 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.290 0.854 -10.610 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.452 1.506 -12.229 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.011 0.282 -14.148 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.001 -0.617 -10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.332 -0.753 -14.204 1.00 0.00 H new ATOM 738 N GLY A 51 4.777 -0.433 -11.256 1.00 0.00 N ATOM 739 CA GLY A 51 6.084 0.137 -10.987 1.00 0.00 C ATOM 740 C GLY A 51 5.999 1.522 -10.377 1.00 0.00 C ATOM 741 O GLY A 51 6.509 2.490 -10.943 1.00 0.00 O ATOM 0 H GLY A 51 4.704 -1.436 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.632 -0.521 -10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.653 0.187 -11.915 1.00 0.00 H new ATOM 745 N LEU A 52 5.351 1.619 -9.221 1.00 0.00 N ATOM 746 CA LEU A 52 5.199 2.898 -8.535 1.00 0.00 C ATOM 747 C LEU A 52 6.546 3.414 -8.040 1.00 0.00 C ATOM 748 O LEU A 52 6.961 3.118 -6.920 1.00 0.00 O ATOM 749 CB LEU A 52 4.231 2.755 -7.359 1.00 0.00 C ATOM 750 CG LEU A 52 2.836 2.228 -7.697 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.026 2.008 -6.429 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.116 3.188 -8.632 1.00 0.00 C ATOM 0 H LEU A 52 4.923 0.828 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 52 4.794 3.618 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.681 2.088 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.124 3.729 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 52 2.944 1.270 -8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.036 1.633 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.534 1.282 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.927 2.952 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.125 2.797 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.020 4.161 -8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.687 3.295 -9.554 1.00 0.00 H new ATOM 764 N GLU A 53 7.222 4.189 -8.882 1.00 0.00 N ATOM 765 CA GLU A 53 8.522 4.748 -8.529 1.00 0.00 C ATOM 766 C GLU A 53 8.436 5.549 -7.233 1.00 0.00 C ATOM 767 O GLU A 53 7.357 5.718 -6.666 1.00 0.00 O ATOM 768 CB GLU A 53 9.043 5.638 -9.659 1.00 0.00 C ATOM 769 CG GLU A 53 9.589 4.860 -10.844 1.00 0.00 C ATOM 770 CD GLU A 53 8.496 4.369 -11.774 1.00 0.00 C ATOM 771 OE1 GLU A 53 7.423 5.006 -11.816 1.00 0.00 O ATOM 772 OE2 GLU A 53 8.715 3.348 -12.458 1.00 0.00 O ATOM 0 H GLU A 53 6.892 4.444 -9.813 1.00 0.00 H new ATOM 0 HA GLU A 53 9.216 3.921 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.236 6.286 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.828 6.286 -9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.279 5.493 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.162 4.007 -10.481 1.00 0.00 H new ATOM 779 N PHE A 54 9.581 6.040 -6.771 1.00 0.00 N ATOM 780 CA PHE A 54 9.636 6.822 -5.542 1.00 0.00 C ATOM 781 C PHE A 54 8.385 7.682 -5.387 1.00 0.00 C ATOM 782 O PHE A 54 7.689 7.608 -4.374 1.00 0.00 O ATOM 783 CB PHE A 54 10.882 7.710 -5.533 1.00 0.00 C ATOM 784 CG PHE A 54 10.821 8.820 -4.522 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.280 10.051 -4.857 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.304 8.632 -3.237 1.00 0.00 C ATOM 787 CE1 PHE A 54 10.223 11.073 -3.929 1.00 0.00 C ATOM 788 CE2 PHE A 54 11.249 9.650 -2.305 1.00 0.00 C ATOM 789 CZ PHE A 54 10.707 10.873 -2.651 1.00 0.00 C ATOM 0 H PHE A 54 10.483 5.910 -7.229 1.00 0.00 H new ATOM 0 HA PHE A 54 9.685 6.129 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.757 7.092 -5.330 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.019 8.140 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.899 10.213 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.729 7.678 -2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.800 12.028 -4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.629 9.490 -1.307 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.662 11.670 -1.924 1.00 0.00 H new ATOM 799 N TYR A 55 8.105 8.496 -6.399 1.00 0.00 N ATOM 800 CA TYR A 55 6.939 9.371 -6.375 1.00 0.00 C ATOM 801 C TYR A 55 5.664 8.590 -6.677 1.00 0.00 C ATOM 802 O TYR A 55 4.653 8.741 -5.992 1.00 0.00 O ATOM 803 CB TYR A 55 7.107 10.506 -7.387 1.00 0.00 C ATOM 804 CG TYR A 55 7.882 11.688 -6.849 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.412 12.416 -5.763 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.085 12.075 -7.426 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.117 13.496 -5.269 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.797 13.154 -6.938 1.00 0.00 C ATOM 809 CZ TYR A 55 9.309 13.861 -5.859 1.00 0.00 C ATOM 810 OH TYR A 55 10.014 14.936 -5.369 1.00 0.00 O ATOM 0 H TYR A 55 8.669 8.568 -7.246 1.00 0.00 H new ATOM 0 HA TYR A 55 6.855 9.794 -5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.615 10.121 -8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.122 10.844 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.480 12.133 -5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.470 11.523 -8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.737 14.052 -4.425 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.730 13.442 -7.399 1.00 0.00 H new ATOM 0 HH TYR A 55 10.831 15.059 -5.896 1.00 0.00 H new ATOM 820 N GLY A 56 5.721 7.753 -7.709 1.00 0.00 N ATOM 821 CA GLY A 56 4.566 6.959 -8.084 1.00 0.00 C ATOM 822 C GLY A 56 3.797 6.449 -6.882 1.00 0.00 C ATOM 823 O GLY A 56 2.585 6.642 -6.784 1.00 0.00 O ATOM 0 H GLY A 56 6.546 7.611 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.903 7.559 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.892 6.113 -8.689 1.00 0.00 H new ATOM 827 N TYR A 57 4.501 5.796 -5.965 1.00 0.00 N ATOM 828 CA TYR A 57 3.876 5.253 -4.765 1.00 0.00 C ATOM 829 C TYR A 57 3.098 6.333 -4.020 1.00 0.00 C ATOM 830 O TYR A 57 1.916 6.165 -3.717 1.00 0.00 O ATOM 831 CB TYR A 57 4.935 4.645 -3.843 1.00 0.00 C ATOM 832 CG TYR A 57 4.493 4.535 -2.402 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.723 3.462 -1.971 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.843 5.505 -1.471 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.315 3.357 -0.655 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.442 5.408 -0.153 1.00 0.00 C ATOM 837 CZ TYR A 57 3.678 4.333 0.250 1.00 0.00 C ATOM 838 OH TYR A 57 3.275 4.233 1.562 1.00 0.00 O ATOM 0 H TYR A 57 5.505 5.630 -6.030 1.00 0.00 H new ATOM 0 HA TYR A 57 3.179 4.473 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.198 3.653 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.839 5.253 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.438 2.696 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.439 6.350 -1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.716 2.517 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.725 6.170 0.558 1.00 0.00 H new ATOM 0 HH TYR A 57 3.861 4.779 2.127 1.00 0.00 H new ATOM 848 N ILE A 58 3.769 7.442 -3.728 1.00 0.00 N ATOM 849 CA ILE A 58 3.140 8.550 -3.020 1.00 0.00 C ATOM 850 C ILE A 58 1.746 8.833 -3.569 1.00 0.00 C ATOM 851 O ILE A 58 0.785 8.970 -2.812 1.00 0.00 O ATOM 852 CB ILE A 58 3.988 9.833 -3.117 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.382 9.594 -2.534 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.296 10.981 -2.397 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.301 10.789 -2.657 1.00 0.00 C ATOM 0 H ILE A 58 4.748 7.597 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 58 3.062 8.253 -1.974 1.00 0.00 H new ATOM 0 HB ILE A 58 4.096 10.101 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.286 9.326 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.837 8.742 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.907 11.880 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.323 11.163 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.161 10.723 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.271 10.548 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.427 11.044 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.868 11.637 -2.127 1.00 0.00 H new ATOM 867 N LYS A 59 1.643 8.919 -4.891 1.00 0.00 N ATOM 868 CA LYS A 59 0.366 9.182 -5.544 1.00 0.00 C ATOM 869 C LYS A 59 -0.651 8.096 -5.208 1.00 0.00 C ATOM 870 O LYS A 59 -1.844 8.370 -5.067 1.00 0.00 O ATOM 871 CB LYS A 59 0.553 9.269 -7.060 1.00 0.00 C ATOM 872 CG LYS A 59 1.626 10.257 -7.485 1.00 0.00 C ATOM 873 CD LYS A 59 1.655 10.434 -8.994 1.00 0.00 C ATOM 874 CE LYS A 59 2.857 11.255 -9.435 1.00 0.00 C ATOM 875 NZ LYS A 59 3.028 11.237 -10.915 1.00 0.00 N ATOM 0 H LYS A 59 2.429 8.810 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.012 10.136 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.808 8.281 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.394 9.554 -7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.444 11.220 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.600 9.909 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.684 9.457 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.738 10.924 -9.322 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.738 12.284 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.757 10.865 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.857 11.808 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.167 10.258 -11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.179 11.633 -11.367 1.00 0.00 H new ATOM 889 N LEU A 60 -0.172 6.863 -5.079 1.00 0.00 N ATOM 890 CA LEU A 60 -1.040 5.735 -4.758 1.00 0.00 C ATOM 891 C LEU A 60 -1.709 5.932 -3.401 1.00 0.00 C ATOM 892 O LEU A 60 -2.921 5.761 -3.265 1.00 0.00 O ATOM 893 CB LEU A 60 -0.238 4.433 -4.760 1.00 0.00 C ATOM 894 CG LEU A 60 -1.041 3.150 -4.543 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.349 2.957 -3.066 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.325 3.180 -5.358 1.00 0.00 C ATOM 0 H LEU A 60 0.812 6.619 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.817 5.677 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.285 4.354 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.523 4.497 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.440 2.306 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.921 2.039 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.416 2.890 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.931 3.804 -2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.883 2.259 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.931 4.032 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.082 3.270 -6.417 1.00 0.00 H new ATOM 908 N ILE A 61 -0.912 6.294 -2.402 1.00 0.00 N ATOM 909 CA ILE A 61 -1.428 6.518 -1.057 1.00 0.00 C ATOM 910 C ILE A 61 -2.460 7.641 -1.043 1.00 0.00 C ATOM 911 O ILE A 61 -3.642 7.408 -0.798 1.00 0.00 O ATOM 912 CB ILE A 61 -0.297 6.863 -0.070 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.759 5.756 -0.064 1.00 0.00 C ATOM 914 CG2 ILE A 61 -0.860 7.073 1.328 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.199 4.388 0.256 1.00 0.00 C ATOM 0 H ILE A 61 0.093 6.438 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.902 5.588 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 61 0.177 7.790 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.244 5.722 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.529 6.004 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.049 7.316 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.579 7.892 1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.356 6.161 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.004 3.653 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.260 4.405 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.551 4.119 -0.488 1.00 0.00 H new ATOM 927 N ASN A 62 -2.003 8.860 -1.310 1.00 0.00 N ATOM 928 CA ASN A 62 -2.886 10.020 -1.330 1.00 0.00 C ATOM 929 C ASN A 62 -4.085 9.775 -2.242 1.00 0.00 C ATOM 930 O ASN A 62 -5.205 10.186 -1.938 1.00 0.00 O ATOM 931 CB ASN A 62 -2.122 11.261 -1.795 1.00 0.00 C ATOM 932 CG ASN A 62 -1.131 11.753 -0.758 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.404 11.719 0.442 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.027 12.212 -1.217 1.00 0.00 N ATOM 0 H ASN A 62 -1.026 9.070 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.251 10.185 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.592 11.033 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.831 12.057 -2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.734 12.555 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.210 12.221 -2.220 1.00 0.00 H new ATOM 941 N PHE A 63 -3.841 9.103 -3.363 1.00 0.00 N ATOM 942 CA PHE A 63 -4.900 8.804 -4.320 1.00 0.00 C ATOM 943 C PHE A 63 -6.139 8.267 -3.610 1.00 0.00 C ATOM 944 O PHE A 63 -7.251 8.748 -3.831 1.00 0.00 O ATOM 945 CB PHE A 63 -4.410 7.787 -5.353 1.00 0.00 C ATOM 946 CG PHE A 63 -5.518 7.006 -5.998 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.340 7.596 -6.945 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.739 5.681 -5.657 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.361 6.879 -7.540 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.758 4.959 -6.249 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.571 5.559 -7.191 1.00 0.00 C ATOM 0 H PHE A 63 -2.920 8.756 -3.630 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.167 9.730 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.847 8.309 -6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.721 7.094 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.181 8.628 -7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.108 5.207 -4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.994 7.350 -8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.919 3.927 -5.975 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.369 4.997 -7.654 1.00 0.00 H new ATOM 961 N ILE A 64 -5.939 7.267 -2.758 1.00 0.00 N ATOM 962 CA ILE A 64 -7.039 6.665 -2.015 1.00 0.00 C ATOM 963 C ILE A 64 -7.606 7.639 -0.987 1.00 0.00 C ATOM 964 O ILE A 64 -8.795 7.601 -0.671 1.00 0.00 O ATOM 965 CB ILE A 64 -6.596 5.378 -1.296 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.834 4.466 -2.261 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.801 4.653 -0.715 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.238 3.245 -1.595 1.00 0.00 C ATOM 0 H ILE A 64 -5.025 6.857 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.812 6.417 -2.742 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.930 5.648 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.509 4.144 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.036 5.038 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.471 3.745 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.307 5.302 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.490 4.391 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.713 2.645 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.537 3.558 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.034 2.651 -1.145 1.00 0.00 H new ATOM 980 N ARG A 65 -6.747 8.510 -0.469 1.00 0.00 N ATOM 981 CA ARG A 65 -7.162 9.495 0.523 1.00 0.00 C ATOM 982 C ARG A 65 -8.135 10.501 -0.083 1.00 0.00 C ATOM 983 O ARG A 65 -9.089 10.929 0.568 1.00 0.00 O ATOM 984 CB ARG A 65 -5.943 10.225 1.089 1.00 0.00 C ATOM 985 CG ARG A 65 -4.840 9.293 1.563 1.00 0.00 C ATOM 986 CD ARG A 65 -5.230 8.573 2.844 1.00 0.00 C ATOM 987 NE ARG A 65 -4.068 8.251 3.667 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.132 7.528 4.780 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.297 7.054 5.199 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.030 7.278 5.474 1.00 0.00 N ATOM 0 H ARG A 65 -5.759 8.554 -0.720 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.669 8.968 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.541 10.890 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.260 10.852 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.622 8.561 0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.926 9.864 1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.917 9.197 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.764 7.656 2.596 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.156 8.600 3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.146 7.244 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.344 6.499 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.132 7.641 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.080 6.723 6.328 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.888 10.876 -1.334 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.742 11.832 -2.029 1.00 0.00 C ATOM 1006 C LEU A 66 -9.929 11.130 -2.679 1.00 0.00 C ATOM 1007 O LEU A 66 -11.084 11.455 -2.404 1.00 0.00 O ATOM 1008 CB LEU A 66 -7.938 12.587 -3.089 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.556 13.890 -3.599 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.469 14.874 -4.003 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.491 13.615 -4.767 1.00 0.00 C ATOM 0 H LEU A 66 -7.103 10.532 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.122 12.543 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.954 12.812 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.784 11.924 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.137 14.335 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.927 15.795 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.840 15.095 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.860 14.438 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.922 14.553 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.933 13.147 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.290 12.947 -4.444 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.638 10.164 -3.543 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.681 9.412 -4.231 1.00 0.00 C ATOM 1025 C LYS A 67 -11.478 8.562 -3.247 1.00 0.00 C ATOM 1026 O LYS A 67 -12.695 8.704 -3.135 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.066 8.518 -5.311 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.512 9.290 -6.496 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.607 9.652 -7.486 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.034 9.972 -8.858 1.00 0.00 C ATOM 1031 NZ LYS A 67 -9.948 8.760 -9.719 1.00 0.00 N ATOM 0 H LYS A 67 -8.688 9.883 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.359 10.125 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.266 7.925 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.822 7.818 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.024 10.199 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.750 8.693 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.312 8.825 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.166 10.511 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.657 10.721 -9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.042 10.408 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.217 8.901 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.700 7.936 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.866 8.595 -10.179 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.784 7.680 -2.535 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.428 6.809 -1.560 1.00 0.00 C ATOM 1047 C ASN A 68 -12.213 5.701 -2.255 1.00 0.00 C ATOM 1048 O ASN A 68 -13.361 5.413 -1.916 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.360 7.620 -0.657 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.480 7.025 0.733 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -12.599 7.749 1.722 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -12.450 5.700 0.814 1.00 0.00 N ATOM 0 H ASN A 68 -9.776 7.550 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.650 6.351 -0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.989 8.642 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.348 7.673 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.527 5.243 1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.350 5.139 -0.032 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.581 5.063 -3.251 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.201 3.976 -4.014 1.00 0.00 C ATOM 1061 C PRO A 69 -12.375 2.709 -3.182 1.00 0.00 C ATOM 1062 O PRO A 69 -12.254 2.737 -1.957 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.210 3.733 -5.155 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.899 4.203 -4.625 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.212 5.354 -3.708 1.00 0.00 C ATOM 0 HA PRO A 69 -13.205 4.236 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.171 2.678 -5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.495 4.284 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.386 3.405 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.240 4.517 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.512 5.405 -2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.157 6.310 -4.229 1.00 0.00 H new ATOM 1073 N THR A 70 -12.659 1.599 -3.855 1.00 0.00 N ATOM 1074 CA THR A 70 -12.850 0.322 -3.178 1.00 0.00 C ATOM 1075 C THR A 70 -11.837 -0.711 -3.657 1.00 0.00 C ATOM 1076 O THR A 70 -11.380 -0.664 -4.799 1.00 0.00 O ATOM 1077 CB THR A 70 -14.272 -0.226 -3.404 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.453 -1.437 -2.662 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.522 -0.488 -4.882 1.00 0.00 C ATOM 0 H THR A 70 -12.762 1.558 -4.869 1.00 0.00 H new ATOM 0 HA THR A 70 -12.703 0.503 -2.113 1.00 0.00 H new ATOM 0 HB THR A 70 -14.986 0.522 -3.058 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.360 -1.778 -2.809 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.532 -0.874 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.411 0.442 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.802 -1.219 -5.249 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.490 -1.645 -2.777 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.532 -2.692 -3.111 1.00 0.00 C ATOM 1089 C VAL A 71 -10.780 -3.238 -4.513 1.00 0.00 C ATOM 1090 O VAL A 71 -9.883 -3.243 -5.355 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.595 -3.853 -2.101 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.682 -4.990 -2.536 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.228 -3.367 -0.707 1.00 0.00 C ATOM 0 H VAL A 71 -11.858 -1.698 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.541 -2.239 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.617 -4.231 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.740 -5.801 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.996 -5.355 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.655 -4.629 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.278 -4.200 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.216 -2.962 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.927 -2.590 -0.397 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.004 -3.696 -4.755 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.370 -4.244 -6.056 1.00 0.00 C ATOM 1105 C GLU A 72 -11.758 -3.421 -7.185 1.00 0.00 C ATOM 1106 O GLU A 72 -11.137 -3.965 -8.099 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.892 -4.285 -6.207 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.525 -5.553 -5.658 1.00 0.00 C ATOM 1109 CD GLU A 72 -16.023 -5.603 -5.883 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.690 -4.570 -5.663 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.529 -6.673 -6.279 1.00 0.00 O ATOM 0 H GLU A 72 -12.758 -3.699 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.979 -5.259 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.323 -3.424 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.147 -4.190 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.062 -6.419 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.319 -5.624 -4.590 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.938 -2.106 -7.115 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.407 -1.207 -8.133 1.00 0.00 C ATOM 1120 C TYR A 73 -9.883 -1.269 -8.172 1.00 0.00 C ATOM 1121 O TYR A 73 -9.287 -1.510 -9.222 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.863 0.228 -7.864 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.282 1.238 -8.827 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -11.834 1.422 -10.089 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.183 2.011 -8.474 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -11.306 2.344 -10.972 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -9.649 2.936 -9.350 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.214 3.098 -10.598 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.686 4.019 -11.474 1.00 0.00 O ATOM 0 H TYR A 73 -12.447 -1.640 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.791 -1.528 -9.101 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.951 0.271 -7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.583 0.505 -6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.690 0.834 -10.385 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.738 1.887 -7.498 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.746 2.473 -11.950 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.794 3.529 -9.060 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.872 4.924 -11.148 1.00 0.00 H new ATOM 1139 N MET A 74 -9.258 -1.050 -7.020 1.00 0.00 N ATOM 1140 CA MET A 74 -7.804 -1.082 -6.921 1.00 0.00 C ATOM 1141 C MET A 74 -7.230 -2.243 -7.726 1.00 0.00 C ATOM 1142 O MET A 74 -6.141 -2.141 -8.290 1.00 0.00 O ATOM 1143 CB MET A 74 -7.373 -1.199 -5.458 1.00 0.00 C ATOM 1144 CG MET A 74 -7.949 -0.111 -4.566 1.00 0.00 C ATOM 1145 SD MET A 74 -7.623 1.547 -5.195 1.00 0.00 S ATOM 1146 CE MET A 74 -5.855 1.463 -5.472 1.00 0.00 C ATOM 0 H MET A 74 -9.736 -0.848 -6.142 1.00 0.00 H new ATOM 0 HA MET A 74 -7.417 -0.150 -7.333 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.679 -2.172 -5.074 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.285 -1.163 -5.404 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.025 -0.255 -4.473 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.527 -0.205 -3.565 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.421 2.456 -5.356 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.405 0.784 -4.748 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.662 1.098 -6.481 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.969 -3.346 -7.776 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.533 -4.527 -8.512 1.00 0.00 C ATOM 1158 C ASN A 75 -7.753 -4.346 -10.010 1.00 0.00 C ATOM 1159 O ASN A 75 -6.973 -4.836 -10.827 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.284 -5.767 -8.021 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.951 -6.111 -6.582 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.802 -6.000 -6.155 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.959 -6.533 -5.827 1.00 0.00 N ATOM 0 H ASN A 75 -8.873 -3.447 -7.315 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.466 -4.662 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.357 -5.599 -8.113 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.038 -6.615 -8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.796 -6.780 -4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.896 -6.610 -6.223 1.00 0.00 H new ATOM 1170 N SER A 76 -8.822 -3.639 -10.365 1.00 0.00 N ATOM 1171 CA SER A 76 -9.147 -3.396 -11.765 1.00 0.00 C ATOM 1172 C SER A 76 -8.687 -2.006 -12.196 1.00 0.00 C ATOM 1173 O SER A 76 -9.505 -1.121 -12.449 1.00 0.00 O ATOM 1174 CB SER A 76 -10.653 -3.541 -11.994 1.00 0.00 C ATOM 1175 OG SER A 76 -11.009 -4.897 -12.197 1.00 0.00 O ATOM 0 H SER A 76 -9.477 -3.225 -9.702 1.00 0.00 H new ATOM 0 HA SER A 76 -8.622 -4.137 -12.368 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.195 -3.144 -11.135 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.951 -2.950 -12.860 1.00 0.00 H new ATOM 0 HG SER A 76 -11.976 -4.963 -12.339 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.374 -1.823 -12.278 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.805 -0.543 -12.679 1.00 0.00 C ATOM 1183 C ILE A 77 -6.054 -0.665 -14.001 1.00 0.00 C ATOM 1184 O ILE A 77 -5.399 -1.673 -14.264 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.847 0.008 -11.606 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.572 0.147 -10.266 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.273 1.347 -12.046 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.718 1.134 -10.299 1.00 0.00 C ATOM 0 H ILE A 77 -6.684 -2.545 -12.072 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.639 0.149 -12.800 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.023 -0.695 -11.480 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.952 -0.829 -9.965 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.856 0.459 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.598 1.724 -11.278 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.725 1.219 -12.979 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.085 2.059 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.186 1.181 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.341 2.120 -10.569 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.454 0.812 -11.036 1.00 0.00 H new ATOM 1200 N TYR A 78 -6.153 0.370 -14.828 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.484 0.379 -16.124 1.00 0.00 C ATOM 1202 C TYR A 78 -4.716 1.681 -16.331 1.00 0.00 C ATOM 1203 O TYR A 78 -4.955 2.671 -15.642 1.00 0.00 O ATOM 1204 CB TYR A 78 -6.503 0.190 -17.249 1.00 0.00 C ATOM 1205 CG TYR A 78 -7.240 -1.128 -17.182 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -6.574 -2.331 -17.382 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -8.604 -1.171 -16.918 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -7.244 -3.538 -17.323 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -9.282 -2.373 -16.856 1.00 0.00 C ATOM 1210 CZ TYR A 78 -8.598 -3.553 -17.060 1.00 0.00 C ATOM 1211 OH TYR A 78 -9.269 -4.753 -16.998 1.00 0.00 O ATOM 0 H TYR A 78 -6.690 1.213 -14.624 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.774 -0.448 -16.144 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.227 1.004 -17.213 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.990 0.262 -18.208 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.514 -2.322 -17.587 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.143 -0.249 -16.759 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.711 -4.464 -17.482 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.342 -2.389 -16.649 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.215 -4.589 -16.803 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.793 1.670 -17.287 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.989 2.849 -17.587 1.00 0.00 C ATOM 1223 C ASN A 79 -3.669 3.717 -18.642 1.00 0.00 C ATOM 1224 O ASN A 79 -4.247 3.223 -19.610 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.598 2.434 -18.072 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.694 3.626 -18.322 1.00 0.00 C ATOM 1227 OD1 ASN A 79 0.088 4.019 -17.456 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.798 4.207 -19.512 1.00 0.00 N ATOM 0 H ASN A 79 -3.583 0.858 -17.867 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.889 3.432 -16.671 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.137 1.781 -17.331 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.694 1.855 -18.991 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.216 5.013 -19.739 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.460 3.847 -20.199 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.599 5.043 -18.451 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.914 5.643 -17.303 1.00 0.00 C ATOM 1237 C PRO A 80 -3.654 5.395 -15.993 1.00 0.00 C ATOM 1238 O PRO A 80 -4.883 5.441 -15.944 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.903 7.137 -17.636 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.065 7.330 -18.548 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.183 6.059 -19.343 1.00 0.00 C ATOM 0 HA PRO A 80 -1.921 5.219 -17.154 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.001 7.744 -16.736 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.969 7.429 -18.117 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.977 7.523 -17.983 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.909 8.187 -19.203 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.221 5.832 -19.586 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.642 6.124 -20.287 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.898 5.134 -14.931 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.482 4.881 -13.619 1.00 0.00 C ATOM 1251 C VAL A 81 -4.229 6.107 -13.105 1.00 0.00 C ATOM 1252 O VAL A 81 -3.910 7.246 -13.443 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.406 4.481 -12.593 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.609 3.286 -13.093 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.489 5.658 -12.297 1.00 0.00 C ATOM 0 H VAL A 81 -1.879 5.092 -14.954 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.183 4.055 -13.738 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.902 4.194 -11.666 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.853 3.018 -12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.280 2.441 -13.249 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.122 3.541 -14.034 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.735 5.358 -11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.999 5.978 -13.217 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.075 6.483 -11.892 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.249 5.869 -12.267 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.063 6.941 -11.686 1.00 0.00 C ATOM 1267 C PRO A 82 -5.289 7.769 -10.666 1.00 0.00 C ATOM 1268 O PRO A 82 -5.831 8.696 -10.065 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.208 6.188 -11.005 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.651 4.839 -10.708 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.686 4.536 -11.821 1.00 0.00 C ATOM 0 HA PRO A 82 -6.393 7.656 -12.440 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.528 6.694 -10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.080 6.122 -11.655 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.148 4.829 -9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.443 4.091 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.847 3.934 -11.472 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.164 3.980 -12.627 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.019 7.429 -10.477 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.170 8.142 -9.529 1.00 0.00 C ATOM 1281 C TRP A 83 -1.952 8.735 -10.228 1.00 0.00 C ATOM 1282 O TRP A 83 -0.908 8.936 -9.609 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.723 7.203 -8.407 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.862 6.074 -8.885 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.526 6.123 -9.165 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.278 4.728 -9.142 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.086 4.890 -9.580 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.141 4.016 -9.574 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.498 4.055 -9.047 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.193 2.666 -9.910 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.548 2.715 -9.382 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.401 2.032 -9.809 1.00 0.00 C ATOM 0 H TRP A 83 -3.555 6.665 -10.967 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.752 8.958 -9.100 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.175 7.777 -7.659 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.604 6.794 -7.912 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.094 7.003 -9.073 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.871 4.662 -9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.387 4.573 -8.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.310 2.138 -10.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.487 2.185 -9.314 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.472 0.985 -10.063 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.094 9.012 -11.520 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.003 9.582 -12.302 1.00 0.00 C ATOM 1305 C GLU A 84 -1.104 11.104 -12.349 1.00 0.00 C ATOM 1306 O GLU A 84 -0.749 11.731 -13.348 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.014 9.015 -13.724 1.00 0.00 C ATOM 1308 CG GLU A 84 0.013 7.919 -13.950 1.00 0.00 C ATOM 1309 CD GLU A 84 1.403 8.466 -14.213 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.508 9.548 -14.828 1.00 0.00 O ATOM 1311 OE2 GLU A 84 2.385 7.812 -13.803 1.00 0.00 O ATOM 0 H GLU A 84 -2.952 8.851 -12.047 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.064 9.312 -11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.007 8.621 -13.941 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.830 9.825 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.042 7.268 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.297 7.304 -14.795 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.591 11.692 -11.262 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.740 13.140 -11.177 1.00 0.00 C ATOM 1320 C LYS A 85 -0.718 13.736 -10.214 1.00 0.00 C ATOM 1321 O LYS A 85 -0.377 13.126 -9.200 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.155 13.503 -10.723 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.246 12.810 -11.522 1.00 0.00 C ATOM 1324 CD LYS A 85 -5.510 13.651 -11.584 1.00 0.00 C ATOM 1325 CE LYS A 85 -6.541 13.039 -12.521 1.00 0.00 C ATOM 1326 NZ LYS A 85 -7.650 13.987 -12.820 1.00 0.00 N ATOM 0 H LYS A 85 -1.889 11.188 -10.427 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.566 13.556 -12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.267 13.245 -9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.288 14.582 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.889 12.613 -12.533 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.472 11.844 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.935 13.745 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.262 14.658 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.056 12.743 -13.451 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.948 12.134 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.331 13.533 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.129 14.251 -11.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.265 14.840 -13.272 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.233 14.930 -10.537 1.00 0.00 N ATOM 1341 CA ASP A 86 0.748 15.609 -9.699 1.00 0.00 C ATOM 1342 C ASP A 86 0.121 16.059 -8.383 1.00 0.00 C ATOM 1343 O ASP A 86 0.663 15.808 -7.308 1.00 0.00 O ATOM 1344 CB ASP A 86 1.335 16.813 -10.437 1.00 0.00 C ATOM 1345 CG ASP A 86 1.771 17.915 -9.492 1.00 0.00 C ATOM 1346 OD1 ASP A 86 2.932 17.878 -9.033 1.00 0.00 O ATOM 1347 OD2 ASP A 86 0.953 18.815 -9.212 1.00 0.00 O ATOM 0 H ASP A 86 -0.503 15.448 -11.373 1.00 0.00 H new ATOM 0 HA ASP A 86 1.549 14.904 -9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.189 16.490 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.593 17.207 -11.132 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.025 16.727 -8.478 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.725 17.214 -7.295 1.00 0.00 C ATOM 1354 C GLU A 87 -1.706 16.169 -6.183 1.00 0.00 C ATOM 1355 O GLU A 87 -1.743 16.505 -4.999 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.169 17.578 -7.643 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.846 16.573 -8.560 1.00 0.00 C ATOM 1358 CD GLU A 87 -4.645 15.534 -7.798 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -5.732 15.879 -7.289 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -4.185 14.377 -7.711 1.00 0.00 O ATOM 0 H GLU A 87 -1.488 16.943 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.209 18.106 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.746 17.663 -6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.183 18.558 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.506 17.101 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.090 16.073 -9.165 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.648 14.900 -6.573 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.627 13.805 -5.611 1.00 0.00 C ATOM 1369 C TYR A 88 -0.325 13.803 -4.816 1.00 0.00 C ATOM 1370 O TYR A 88 -0.326 13.605 -3.600 1.00 0.00 O ATOM 1371 CB TYR A 88 -1.803 12.465 -6.327 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.237 12.159 -6.695 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.266 12.359 -5.783 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.563 11.668 -7.953 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.578 12.080 -6.114 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.872 11.387 -8.293 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.876 11.595 -7.370 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.181 11.315 -7.705 1.00 0.00 O ATOM 0 H TYR A 88 -1.615 14.605 -7.549 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.455 13.949 -4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.196 12.464 -7.232 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.423 11.668 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.036 12.739 -4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.779 11.503 -8.678 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.366 12.241 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.108 11.007 -9.276 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.388 11.713 -8.576 1.00 0.00 H new ATOM 1388 N LEU A 89 0.785 14.025 -5.511 1.00 0.00 N ATOM 1389 CA LEU A 89 2.096 14.050 -4.872 1.00 0.00 C ATOM 1390 C LEU A 89 2.016 14.687 -3.489 1.00 0.00 C ATOM 1391 O LEU A 89 2.715 14.277 -2.562 1.00 0.00 O ATOM 1392 CB LEU A 89 3.095 14.816 -5.742 1.00 0.00 C ATOM 1393 CG LEU A 89 3.510 14.135 -7.046 1.00 0.00 C ATOM 1394 CD1 LEU A 89 4.154 15.138 -7.990 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.457 12.978 -6.766 1.00 0.00 C ATOM 0 H LEU A 89 0.803 14.190 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 89 2.437 13.021 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.665 15.788 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.992 15.003 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 89 2.616 13.737 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.443 14.635 -8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.443 15.933 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.038 15.566 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.742 12.505 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.349 13.351 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.960 12.247 -6.128 1.00 0.00 H new ATOM 1407 N LYS A 90 1.156 15.691 -3.355 1.00 0.00 N ATOM 1408 CA LYS A 90 0.980 16.384 -2.084 1.00 0.00 C ATOM 1409 C LYS A 90 0.278 15.488 -1.068 1.00 0.00 C ATOM 1410 O LYS A 90 -0.612 14.707 -1.405 1.00 0.00 O ATOM 1411 CB LYS A 90 0.176 17.670 -2.287 1.00 0.00 C ATOM 1412 CG LYS A 90 0.986 18.805 -2.889 1.00 0.00 C ATOM 1413 CD LYS A 90 0.117 20.017 -3.181 1.00 0.00 C ATOM 1414 CE LYS A 90 0.953 21.211 -3.615 1.00 0.00 C ATOM 1415 NZ LYS A 90 1.767 21.756 -2.493 1.00 0.00 N ATOM 0 H LYS A 90 0.570 16.043 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 90 1.967 16.637 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.675 17.458 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.227 17.992 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.785 19.086 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.460 18.466 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.601 19.771 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.457 20.277 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.612 20.915 -4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.298 21.992 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.147 22.686 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.170 21.856 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.553 21.107 -2.287 1.00 0.00 H new ATOM 1429 N PRO A 91 0.685 15.603 0.205 1.00 0.00 N ATOM 1430 CA PRO A 91 0.106 14.812 1.295 1.00 0.00 C ATOM 1431 C PRO A 91 -1.327 15.225 1.613 1.00 0.00 C ATOM 1432 O PRO A 91 -1.562 16.265 2.228 1.00 0.00 O ATOM 1433 CB PRO A 91 1.026 15.116 2.480 1.00 0.00 C ATOM 1434 CG PRO A 91 1.610 16.452 2.174 1.00 0.00 C ATOM 1435 CD PRO A 91 1.741 16.513 0.678 1.00 0.00 C ATOM 0 HA PRO A 91 0.047 13.753 1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.471 15.132 3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.803 14.358 2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.968 17.252 2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.580 16.574 2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.596 17.526 0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.728 16.189 0.348 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.282 14.403 1.191 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.693 14.682 1.433 1.00 0.00 C ATOM 1445 C VAL A 92 -3.950 14.976 2.906 1.00 0.00 C ATOM 1446 O VAL A 92 -4.827 15.770 3.249 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.582 13.504 0.992 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.049 13.818 1.245 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.343 13.176 -0.474 1.00 0.00 C ATOM 0 H VAL A 92 -2.105 13.538 0.680 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.948 15.561 0.841 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.316 12.629 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.662 12.974 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.204 13.999 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.334 14.706 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.979 12.341 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.581 14.047 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.298 12.904 -0.620 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.181 14.330 3.776 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.325 14.521 5.215 1.00 0.00 C ATOM 1461 C LEU A 93 -2.084 15.187 5.802 1.00 0.00 C ATOM 1462 O LEU A 93 -1.167 15.564 5.073 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.573 13.180 5.905 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.425 12.173 5.130 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.543 11.267 4.285 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.279 11.351 6.084 1.00 0.00 C ATOM 0 H LEU A 93 -2.451 13.669 3.510 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.181 15.174 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.608 12.720 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.055 13.371 6.864 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.089 12.724 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.166 10.557 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.976 11.870 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.854 10.724 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.878 10.640 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.634 10.810 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.938 12.014 6.645 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.063 15.325 7.124 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.933 15.943 7.809 1.00 0.00 C ATOM 1480 C GLU A 94 -0.148 14.907 8.608 1.00 0.00 C ATOM 1481 O GLU A 94 -0.729 14.048 9.271 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.419 17.058 8.737 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.412 18.181 8.919 1.00 0.00 C ATOM 1484 CD GLU A 94 -1.036 19.437 9.495 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.811 19.323 10.467 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.749 20.534 8.973 1.00 0.00 O ATOM 0 H GLU A 94 -2.814 15.018 7.742 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.273 16.370 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.345 17.473 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.654 16.631 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.388 17.843 9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.044 18.415 7.957 1.00 0.00 H new ATOM 1493 N ASP A 95 1.176 14.995 8.539 1.00 0.00 N ATOM 1494 CA ASP A 95 2.042 14.066 9.256 1.00 0.00 C ATOM 1495 C ASP A 95 1.784 12.630 8.812 1.00 0.00 C ATOM 1496 O ASP A 95 1.634 11.731 9.639 1.00 0.00 O ATOM 1497 CB ASP A 95 1.824 14.193 10.765 1.00 0.00 C ATOM 1498 CG ASP A 95 2.979 13.625 11.566 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.128 13.691 11.081 1.00 0.00 O ATOM 1500 OD2 ASP A 95 2.734 13.116 12.680 1.00 0.00 O ATOM 0 H ASP A 95 1.673 15.700 7.994 1.00 0.00 H new ATOM 0 HA ASP A 95 3.076 14.319 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.689 15.243 11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.905 13.676 11.041 1.00 0.00 H new ATOM 1505 N ASP A 96 1.734 12.422 7.501 1.00 0.00 N ATOM 1506 CA ASP A 96 1.495 11.094 6.946 1.00 0.00 C ATOM 1507 C ASP A 96 2.688 10.177 7.197 1.00 0.00 C ATOM 1508 O ASP A 96 3.834 10.545 6.934 1.00 0.00 O ATOM 1509 CB ASP A 96 1.216 11.189 5.445 1.00 0.00 C ATOM 1510 CG ASP A 96 0.325 12.364 5.095 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.756 13.517 5.302 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.804 12.131 4.614 1.00 0.00 O ATOM 0 H ASP A 96 1.856 13.155 6.803 1.00 0.00 H new ATOM 0 HA ASP A 96 0.623 10.670 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.160 11.280 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.745 10.266 5.107 1.00 0.00 H new ATOM 1517 N LEU A 97 2.411 8.983 7.708 1.00 0.00 N ATOM 1518 CA LEU A 97 3.462 8.012 7.996 1.00 0.00 C ATOM 1519 C LEU A 97 3.704 7.100 6.798 1.00 0.00 C ATOM 1520 O LEU A 97 4.814 6.605 6.595 1.00 0.00 O ATOM 1521 CB LEU A 97 3.088 7.175 9.221 1.00 0.00 C ATOM 1522 CG LEU A 97 2.796 7.956 10.503 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.293 7.022 11.593 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.039 8.701 10.969 1.00 0.00 C ATOM 0 H LEU A 97 1.469 8.663 7.932 1.00 0.00 H new ATOM 0 HA LEU A 97 4.381 8.559 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.210 6.579 8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.901 6.477 9.421 1.00 0.00 H new ATOM 0 HG LEU A 97 2.017 8.688 10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.090 7.595 12.498 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.377 6.534 11.260 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.051 6.267 11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.812 9.251 11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.839 7.987 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.357 9.399 10.194 1.00 0.00 H new ATOM 1536 N LEU A 98 2.661 6.883 6.005 1.00 0.00 N ATOM 1537 CA LEU A 98 2.760 6.032 4.825 1.00 0.00 C ATOM 1538 C LEU A 98 3.618 6.691 3.749 1.00 0.00 C ATOM 1539 O LEU A 98 4.333 6.015 3.009 1.00 0.00 O ATOM 1540 CB LEU A 98 1.367 5.733 4.269 1.00 0.00 C ATOM 1541 CG LEU A 98 0.393 5.050 5.230 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.024 5.103 4.682 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.816 3.610 5.484 1.00 0.00 C ATOM 0 H LEU A 98 1.736 7.285 6.158 1.00 0.00 H new ATOM 0 HA LEU A 98 3.235 5.097 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.921 6.671 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.477 5.103 3.387 1.00 0.00 H new ATOM 0 HG LEU A 98 0.413 5.586 6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.703 4.612 5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.326 6.142 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.061 4.593 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.112 3.139 6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.826 3.062 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.814 3.596 5.922 1.00 0.00 H new ATOM 1555 N LEU A 99 3.544 8.015 3.670 1.00 0.00 N ATOM 1556 CA LEU A 99 4.316 8.767 2.686 1.00 0.00 C ATOM 1557 C LEU A 99 5.804 8.733 3.020 1.00 0.00 C ATOM 1558 O LEU A 99 6.646 8.618 2.130 1.00 0.00 O ATOM 1559 CB LEU A 99 3.828 10.216 2.626 1.00 0.00 C ATOM 1560 CG LEU A 99 2.690 10.501 1.645 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.492 9.613 1.945 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.295 11.969 1.699 1.00 0.00 C ATOM 0 H LEU A 99 2.958 8.590 4.275 1.00 0.00 H new ATOM 0 HA LEU A 99 4.171 8.300 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.503 10.510 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.674 10.853 2.365 1.00 0.00 H new ATOM 0 HG LEU A 99 3.039 10.276 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.692 9.830 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.783 8.566 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.141 9.806 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.484 12.154 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.964 12.220 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.153 12.587 1.434 1.00 0.00 H new ATOM 1574 N GLN A 100 6.119 8.831 4.307 1.00 0.00 N ATOM 1575 CA GLN A 100 7.505 8.810 4.758 1.00 0.00 C ATOM 1576 C GLN A 100 8.023 7.379 4.858 1.00 0.00 C ATOM 1577 O GLN A 100 9.046 7.121 5.493 1.00 0.00 O ATOM 1578 CB GLN A 100 7.634 9.507 6.113 1.00 0.00 C ATOM 1579 CG GLN A 100 7.266 8.620 7.292 1.00 0.00 C ATOM 1580 CD GLN A 100 7.317 9.356 8.616 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.275 9.220 9.378 1.00 0.00 O ATOM 1582 NE2 GLN A 100 6.285 10.143 8.897 1.00 0.00 N ATOM 0 H GLN A 100 5.433 8.926 5.056 1.00 0.00 H new ATOM 0 HA GLN A 100 8.107 9.345 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.660 9.855 6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.995 10.390 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.263 8.220 7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 100 7.946 7.769 7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.512 10.226 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.265 10.664 9.773 1.00 0.00 H new ATOM 1591 N PHE A 101 7.310 6.451 4.228 1.00 0.00 N ATOM 1592 CA PHE A 101 7.697 5.045 4.247 1.00 0.00 C ATOM 1593 C PHE A 101 8.780 4.765 3.209 1.00 0.00 C ATOM 1594 O PHE A 101 8.721 5.264 2.085 1.00 0.00 O ATOM 1595 CB PHE A 101 6.480 4.156 3.983 1.00 0.00 C ATOM 1596 CG PHE A 101 6.832 2.717 3.733 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.095 2.269 2.449 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.900 1.814 4.781 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.418 0.945 2.215 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.223 0.490 4.554 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.483 0.055 3.269 1.00 0.00 C ATOM 0 H PHE A 101 6.461 6.647 3.698 1.00 0.00 H new ATOM 0 HA PHE A 101 8.098 4.817 5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.806 4.214 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.937 4.544 3.121 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.047 2.961 1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.698 2.149 5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.619 0.607 1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.272 -0.204 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.737 -0.979 3.089 1.00 0.00 H new ATOM 1611 N ASP A 102 9.767 3.964 3.594 1.00 0.00 N ATOM 1612 CA ASP A 102 10.863 3.616 2.698 1.00 0.00 C ATOM 1613 C ASP A 102 10.409 2.605 1.651 1.00 0.00 C ATOM 1614 O ASP A 102 10.475 1.395 1.871 1.00 0.00 O ATOM 1615 CB ASP A 102 12.041 3.051 3.494 1.00 0.00 C ATOM 1616 CG ASP A 102 11.624 1.934 4.429 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.028 2.234 5.485 1.00 0.00 O ATOM 1618 OD2 ASP A 102 11.894 0.758 4.106 1.00 0.00 O ATOM 0 H ASP A 102 9.831 3.543 4.521 1.00 0.00 H new ATOM 0 HA ASP A 102 11.183 4.523 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.798 2.679 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.503 3.852 4.072 1.00 0.00 H new ATOM 1623 N VAL A 103 9.947 3.108 0.510 1.00 0.00 N ATOM 1624 CA VAL A 103 9.482 2.248 -0.572 1.00 0.00 C ATOM 1625 C VAL A 103 10.652 1.590 -1.293 1.00 0.00 C ATOM 1626 O VAL A 103 10.509 0.516 -1.876 1.00 0.00 O ATOM 1627 CB VAL A 103 8.642 3.038 -1.594 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.525 3.979 -2.398 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.888 2.087 -2.511 1.00 0.00 C ATOM 0 H VAL A 103 9.885 4.107 0.311 1.00 0.00 H new ATOM 0 HA VAL A 103 8.859 1.477 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 103 7.912 3.639 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.914 4.528 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.015 4.682 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.280 3.402 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.300 2.661 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.599 1.458 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.224 1.459 -1.917 1.00 0.00 H new ATOM 1639 N GLU A 104 11.810 2.242 -1.248 1.00 0.00 N ATOM 1640 CA GLU A 104 13.006 1.719 -1.898 1.00 0.00 C ATOM 1641 C GLU A 104 13.261 0.272 -1.485 1.00 0.00 C ATOM 1642 O GLU A 104 13.624 -0.566 -2.311 1.00 0.00 O ATOM 1643 CB GLU A 104 14.221 2.581 -1.551 1.00 0.00 C ATOM 1644 CG GLU A 104 14.074 4.035 -1.968 1.00 0.00 C ATOM 1645 CD GLU A 104 15.299 4.864 -1.634 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.384 5.362 -0.492 1.00 0.00 O ATOM 1647 OE2 GLU A 104 16.172 5.016 -2.514 1.00 0.00 O ATOM 0 H GLU A 104 11.945 3.132 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 104 12.845 1.749 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.393 2.536 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.104 2.161 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.888 4.084 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.203 4.465 -1.473 1.00 0.00 H new ATOM 1654 N ASP A 105 13.069 -0.013 -0.202 1.00 0.00 N ATOM 1655 CA ASP A 105 13.277 -1.358 0.322 1.00 0.00 C ATOM 1656 C ASP A 105 12.502 -2.386 -0.496 1.00 0.00 C ATOM 1657 O ASP A 105 12.909 -3.543 -0.605 1.00 0.00 O ATOM 1658 CB ASP A 105 12.851 -1.429 1.789 1.00 0.00 C ATOM 1659 CG ASP A 105 13.395 -2.657 2.491 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.594 -2.960 2.316 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.622 -3.316 3.218 1.00 0.00 O ATOM 0 H ASP A 105 12.770 0.669 0.495 1.00 0.00 H new ATOM 0 HA ASP A 105 14.340 -1.589 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.196 -0.535 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.763 -1.432 1.848 1.00 0.00 H new ATOM 1666 N LEU A 106 11.382 -1.957 -1.068 1.00 0.00 N ATOM 1667 CA LEU A 106 10.548 -2.840 -1.875 1.00 0.00 C ATOM 1668 C LEU A 106 11.288 -3.291 -3.130 1.00 0.00 C ATOM 1669 O LEU A 106 11.176 -4.443 -3.549 1.00 0.00 O ATOM 1670 CB LEU A 106 9.248 -2.133 -2.262 1.00 0.00 C ATOM 1671 CG LEU A 106 8.450 -1.518 -1.112 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.150 -0.919 -1.624 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.174 -2.560 -0.038 1.00 0.00 C ATOM 0 H LEU A 106 11.031 -1.003 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 106 10.311 -3.721 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.486 -1.344 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.609 -2.849 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 106 9.044 -0.718 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.596 -0.486 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.371 -0.142 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.550 -1.699 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.605 -2.105 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.600 -3.382 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.118 -2.941 0.351 1.00 0.00 H new