USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 891 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: A1002 MET CE :methyl 140:sc= -3.56! (180deg=-2.38!) USER MOD Set 1.2: A1021 MET CE :methyl 158:sc= -2.98! (180deg=-5.87!) USER MOD Set 2.1: A 951 TYR OH : rot 171:sc= -0.428 USER MOD Set 2.2: A1014 GLN :FLIP amide:sc= -8.35! C(o=-12!,f=-10!) USER MOD Set 2.3: A1018 LYS NZ :NH3+ -163:sc= -1.61! (180deg=-2.06!) USER MOD Set 3.1: A 928 ASN : amide:sc= -4.5! C(o=-4!,f=-12!) USER MOD Set 3.2: A 968 THR OG1 : rot -129:sc= 0.476 USER MOD Single : A 924 LYS NZ :NH3+ -151:sc= 0.64 (180deg=0.199!) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 934 LYS NZ :NH3+ -131:sc= 1.25 (180deg=-0.29) USER MOD Single : A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -59:sc= 1.27 USER MOD Single : A 954 MET CE :methyl 157:sc= -0.694 (180deg=-3.19) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 972 SER OG : rot 98:sc= 1.26 USER MOD Single : A 980 THR OG1 : rot 180:sc= 0 USER MOD Single : A 981 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.011) USER MOD Single : A 986 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 988 GLN :FLIP amide:sc= -1.26 F(o=-8.1!,f=-1.3) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.66) USER MOD Single : A1001 LYS NZ :NH3+ -113:sc= 1.23 (180deg=0.677) USER MOD Single : A1003 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.105) USER MOD Single : A1006 GLN :FLIP amide:sc= -0.0106 F(o=-1.2,f=-0.011) USER MOD Single : A1007 GLN :FLIP amide:sc= -2.53! C(o=-4.3!,f=-2.5!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1011 THR OG1 : rot -21:sc= 0.595 USER MOD Single : A1012 SER OG : rot 180:sc= 0.178 USER MOD Single : A1015 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1019 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.079) USER MOD Single : A1020 GLN :FLIP amide:sc= -0.0798 F(o=-0.91,f=-0.08) USER MOD Single : A1023 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A1026 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=-0.0018) USER MOD Single : A1033 LYS NZ :NH3+ -163:sc= -0.0846 (180deg=-0.402) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A1041 GLN : amide:sc= 1.09 K(o=1.1,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.416 -8.719 -3.911 1.00 0.00 N ATOM 180 CA LYS A 924 -9.065 -7.739 -3.035 1.00 0.00 C ATOM 181 C LYS A 924 -8.056 -6.757 -2.436 1.00 0.00 C ATOM 182 O LYS A 924 -8.386 -5.596 -2.213 1.00 0.00 O ATOM 183 CB LYS A 924 -9.809 -8.467 -1.920 1.00 0.00 C ATOM 184 CG LYS A 924 -11.035 -7.726 -1.405 1.00 0.00 C ATOM 185 CD LYS A 924 -11.999 -7.406 -2.539 1.00 0.00 C ATOM 186 CE LYS A 924 -13.390 -7.053 -2.034 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.386 -5.891 -1.106 1.00 0.00 N ATOM 0 HA LYS A 924 -9.768 -7.162 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -10.116 -9.448 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -9.123 -8.635 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -11.541 -8.332 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -10.726 -6.803 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -11.605 -6.574 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -12.065 -8.263 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.035 -6.832 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.818 -7.917 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.177 -5.979 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -12.488 -5.869 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.490 -5.011 -1.651 1.00 0.00 H new ATOM 201 N VAL A 925 -6.833 -7.209 -2.212 1.00 0.00 N ATOM 202 CA VAL A 925 -5.760 -6.326 -1.748 1.00 0.00 C ATOM 203 C VAL A 925 -5.487 -5.205 -2.774 1.00 0.00 C ATOM 204 O VAL A 925 -5.160 -4.075 -2.414 1.00 0.00 O ATOM 205 CB VAL A 925 -4.472 -7.135 -1.477 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.234 -8.145 -2.586 1.00 0.00 C ATOM 207 CG2 VAL A 925 -3.281 -6.209 -1.293 1.00 0.00 C ATOM 0 H VAL A 925 -6.552 -8.181 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 925 -6.082 -5.863 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 925 -4.598 -7.690 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.323 -8.706 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -5.078 -8.832 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -4.130 -7.623 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -2.386 -6.801 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -3.139 -5.615 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -3.463 -5.546 -0.447 1.00 0.00 H new ATOM 217 N TYR A 926 -5.688 -5.528 -4.048 1.00 0.00 N ATOM 218 CA TYR A 926 -5.522 -4.585 -5.161 1.00 0.00 C ATOM 219 C TYR A 926 -6.565 -3.483 -5.129 1.00 0.00 C ATOM 220 O TYR A 926 -6.238 -2.348 -5.454 1.00 0.00 O ATOM 221 CB TYR A 926 -5.580 -5.316 -6.519 1.00 0.00 C ATOM 222 CG TYR A 926 -6.757 -4.908 -7.395 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.000 -5.509 -7.243 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.632 -3.904 -8.344 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.081 -5.137 -8.003 1.00 0.00 C ATOM 226 CE2 TYR A 926 -7.712 -3.517 -9.114 1.00 0.00 C ATOM 227 CZ TYR A 926 -8.937 -4.135 -8.940 1.00 0.00 C ATOM 228 OH TYR A 926 -10.013 -3.752 -9.709 1.00 0.00 O ATOM 0 H TYR A 926 -5.974 -6.461 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.540 -4.128 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.654 -5.126 -7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -5.630 -6.390 -6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.119 -6.290 -6.507 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -5.677 -3.418 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.035 -5.624 -7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -7.600 -2.734 -9.850 1.00 0.00 H new ATOM 0 HH TYR A 926 -9.741 -3.034 -10.318 1.00 0.00 H new ATOM 238 N GLU A 927 -7.790 -3.757 -4.744 1.00 0.00 N ATOM 239 CA GLU A 927 -8.772 -2.679 -4.738 1.00 0.00 C ATOM 240 C GLU A 927 -8.527 -1.750 -3.553 1.00 0.00 C ATOM 241 O GLU A 927 -8.917 -0.581 -3.591 1.00 0.00 O ATOM 242 CB GLU A 927 -10.206 -3.156 -4.761 1.00 0.00 C ATOM 243 CG GLU A 927 -10.609 -3.768 -3.456 1.00 0.00 C ATOM 244 CD GLU A 927 -12.109 -3.874 -3.293 1.00 0.00 C ATOM 245 OE1 GLU A 927 -12.794 -4.246 -4.267 1.00 0.00 O ATOM 246 OE2 GLU A 927 -12.609 -3.601 -2.183 1.00 0.00 O ATOM 0 H GLU A 927 -8.128 -4.671 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.631 -2.131 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.864 -2.317 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.333 -3.887 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.169 -4.762 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.201 -3.172 -2.640 1.00 0.00 H new ATOM 253 N ASN A 928 -7.875 -2.243 -2.508 1.00 0.00 N ATOM 254 CA ASN A 928 -7.485 -1.388 -1.392 1.00 0.00 C ATOM 255 C ASN A 928 -6.388 -0.440 -1.876 1.00 0.00 C ATOM 256 O ASN A 928 -6.273 0.698 -1.428 1.00 0.00 O ATOM 257 CB ASN A 928 -6.980 -2.231 -0.212 1.00 0.00 C ATOM 258 CG ASN A 928 -7.783 -3.509 -0.012 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.245 -4.529 0.410 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.076 -3.470 -0.304 1.00 0.00 N ATOM 0 H ASN A 928 -7.606 -3.222 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.347 -0.818 -1.045 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.933 -2.487 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.023 -1.634 0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.652 -4.302 -0.180 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.494 -2.608 -0.653 1.00 0.00 H new ATOM 267 N VAL A 929 -5.602 -0.936 -2.824 1.00 0.00 N ATOM 268 CA VAL A 929 -4.562 -0.161 -3.501 1.00 0.00 C ATOM 269 C VAL A 929 -5.178 0.692 -4.608 1.00 0.00 C ATOM 270 O VAL A 929 -4.659 1.766 -4.911 1.00 0.00 O ATOM 271 CB VAL A 929 -3.428 -1.044 -4.069 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.339 -0.190 -4.686 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.862 -1.946 -2.987 1.00 0.00 C ATOM 0 H VAL A 929 -5.668 -1.900 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.108 0.486 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.845 -1.675 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.551 -0.833 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.759 0.406 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -1.922 0.472 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.065 -2.560 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.463 -1.336 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.652 -2.590 -2.601 1.00 0.00 H new ATOM 283 N THR A 930 -6.270 0.259 -5.192 1.00 0.00 N ATOM 284 CA THR A 930 -7.065 1.154 -6.014 1.00 0.00 C ATOM 285 C THR A 930 -7.454 2.389 -5.189 1.00 0.00 C ATOM 286 O THR A 930 -7.368 3.523 -5.660 1.00 0.00 O ATOM 287 CB THR A 930 -8.326 0.430 -6.540 1.00 0.00 C ATOM 288 OG1 THR A 930 -7.947 -0.567 -7.501 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.319 1.398 -7.163 1.00 0.00 C ATOM 0 H THR A 930 -6.629 -0.693 -5.118 1.00 0.00 H new ATOM 0 HA THR A 930 -6.477 1.470 -6.875 1.00 0.00 H new ATOM 0 HB THR A 930 -8.817 -0.043 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.748 -1.025 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.190 0.847 -7.519 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.632 2.128 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.848 1.913 -8.000 1.00 0.00 H new ATOM 297 N GLY A 931 -7.851 2.140 -3.947 1.00 0.00 N ATOM 298 CA GLY A 931 -8.208 3.215 -3.042 1.00 0.00 C ATOM 299 C GLY A 931 -7.020 4.048 -2.564 1.00 0.00 C ATOM 300 O GLY A 931 -7.035 5.274 -2.702 1.00 0.00 O ATOM 0 H GLY A 931 -7.932 1.205 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.922 3.872 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.714 2.792 -2.174 1.00 0.00 H new ATOM 304 N LEU A 932 -5.988 3.396 -2.019 1.00 0.00 N ATOM 305 CA LEU A 932 -4.833 4.124 -1.469 1.00 0.00 C ATOM 306 C LEU A 932 -4.089 4.944 -2.532 1.00 0.00 C ATOM 307 O LEU A 932 -3.801 6.122 -2.324 1.00 0.00 O ATOM 308 CB LEU A 932 -3.869 3.161 -0.738 1.00 0.00 C ATOM 309 CG LEU A 932 -2.967 2.255 -1.580 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.618 2.918 -1.829 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.774 0.921 -0.878 1.00 0.00 C ATOM 0 H LEU A 932 -5.925 2.381 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.228 4.836 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.227 3.761 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.467 2.522 -0.088 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.448 2.086 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.993 2.257 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.767 3.858 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.128 3.114 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -2.131 0.281 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.311 1.085 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.742 0.438 -0.742 1.00 0.00 H new ATOM 323 N VAL A 933 -3.794 4.322 -3.677 1.00 0.00 N ATOM 324 CA VAL A 933 -3.020 4.978 -4.735 1.00 0.00 C ATOM 325 C VAL A 933 -3.785 6.152 -5.315 1.00 0.00 C ATOM 326 O VAL A 933 -3.201 7.181 -5.670 1.00 0.00 O ATOM 327 CB VAL A 933 -2.661 4.002 -5.876 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.012 4.729 -7.047 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.740 2.915 -5.369 1.00 0.00 C ATOM 0 H VAL A 933 -4.079 3.367 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.097 5.330 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.588 3.551 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.772 4.012 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.701 5.478 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.098 5.218 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.496 2.235 -6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.824 3.364 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.235 2.361 -4.571 1.00 0.00 H new ATOM 339 N LYS A 934 -5.095 5.986 -5.405 1.00 0.00 N ATOM 340 CA LYS A 934 -5.949 7.032 -5.943 1.00 0.00 C ATOM 341 C LYS A 934 -5.730 8.330 -5.167 1.00 0.00 C ATOM 342 O LYS A 934 -5.572 9.396 -5.762 1.00 0.00 O ATOM 343 CB LYS A 934 -7.421 6.575 -5.919 1.00 0.00 C ATOM 344 CG LYS A 934 -8.464 7.637 -6.288 1.00 0.00 C ATOM 345 CD LYS A 934 -8.708 8.670 -5.180 1.00 0.00 C ATOM 346 CE LYS A 934 -9.202 8.044 -3.885 1.00 0.00 C ATOM 347 NZ LYS A 934 -9.576 9.086 -2.887 1.00 0.00 N ATOM 0 H LYS A 934 -5.588 5.142 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.688 7.226 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.530 5.734 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.649 6.203 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.139 8.155 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -9.406 7.142 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -7.783 9.212 -4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -9.439 9.401 -5.526 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.064 7.409 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -8.425 7.402 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -9.133 8.866 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -9.247 10.016 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -10.610 9.104 -2.775 1.00 0.00 H new ATOM 361 N ALA A 935 -5.692 8.231 -3.846 1.00 0.00 N ATOM 362 CA ALA A 935 -5.490 9.408 -3.007 1.00 0.00 C ATOM 363 C ALA A 935 -4.121 10.051 -3.256 1.00 0.00 C ATOM 364 O ALA A 935 -3.990 11.270 -3.201 1.00 0.00 O ATOM 365 CB ALA A 935 -5.657 9.050 -1.542 1.00 0.00 C ATOM 0 H ALA A 935 -5.797 7.356 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.250 10.142 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.503 9.939 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.662 8.664 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.926 8.290 -1.268 1.00 0.00 H new ATOM 371 N VAL A 936 -3.121 9.224 -3.549 1.00 0.00 N ATOM 372 CA VAL A 936 -1.751 9.689 -3.800 1.00 0.00 C ATOM 373 C VAL A 936 -1.696 10.766 -4.892 1.00 0.00 C ATOM 374 O VAL A 936 -1.543 11.953 -4.607 1.00 0.00 O ATOM 375 CB VAL A 936 -0.846 8.514 -4.223 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.580 8.981 -4.465 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.889 7.408 -3.180 1.00 0.00 C ATOM 0 H VAL A 936 -3.233 8.213 -3.620 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.395 10.121 -2.865 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.225 8.113 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.196 8.132 -4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.588 9.730 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.980 9.417 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.245 6.587 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.541 7.797 -2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.912 7.047 -3.074 1.00 0.00 H new ATOM 387 N ILE A 937 -1.829 10.338 -6.137 1.00 0.00 N ATOM 388 CA ILE A 937 -1.698 11.223 -7.297 1.00 0.00 C ATOM 389 C ILE A 937 -2.845 12.231 -7.400 1.00 0.00 C ATOM 390 O ILE A 937 -2.626 13.401 -7.743 1.00 0.00 O ATOM 391 CB ILE A 937 -1.617 10.407 -8.606 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.781 9.410 -8.692 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.279 9.686 -8.693 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.807 8.603 -9.973 1.00 0.00 C ATOM 0 H ILE A 937 -2.031 9.368 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.773 11.781 -7.152 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.695 11.091 -9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.724 8.726 -7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.720 9.955 -8.599 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.233 9.114 -9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.530 10.417 -8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.174 9.010 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.658 7.922 -9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.897 9.276 -10.825 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.885 8.029 -10.060 1.00 0.00 H new ATOM 406 N GLU A 938 -4.050 11.809 -7.088 1.00 0.00 N ATOM 407 CA GLU A 938 -5.202 12.687 -7.265 1.00 0.00 C ATOM 408 C GLU A 938 -5.118 13.868 -6.307 1.00 0.00 C ATOM 409 O GLU A 938 -5.157 15.040 -6.714 1.00 0.00 O ATOM 410 CB GLU A 938 -6.509 11.923 -7.056 1.00 0.00 C ATOM 411 CG GLU A 938 -7.745 12.721 -7.430 1.00 0.00 C ATOM 412 CD GLU A 938 -9.023 11.937 -7.232 1.00 0.00 C ATOM 413 OE1 GLU A 938 -9.263 10.977 -7.995 1.00 0.00 O ATOM 414 OE2 GLU A 938 -9.799 12.283 -6.320 1.00 0.00 O ATOM 0 H GLU A 938 -4.264 10.883 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.190 13.063 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.484 11.008 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -6.582 11.624 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -7.783 13.629 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.671 13.032 -8.472 1.00 0.00 H new ATOM 421 N MET A 939 -4.932 13.573 -5.034 1.00 0.00 N ATOM 422 CA MET A 939 -4.862 14.635 -4.059 1.00 0.00 C ATOM 423 C MET A 939 -3.573 15.415 -4.260 1.00 0.00 C ATOM 424 O MET A 939 -3.485 16.587 -3.903 1.00 0.00 O ATOM 425 CB MET A 939 -4.972 14.105 -2.631 1.00 0.00 C ATOM 426 CG MET A 939 -6.350 13.575 -2.266 1.00 0.00 C ATOM 427 SD MET A 939 -7.634 14.842 -2.351 1.00 0.00 S ATOM 428 CE MET A 939 -9.053 13.929 -1.747 1.00 0.00 C ATOM 0 H MET A 939 -4.829 12.629 -4.661 1.00 0.00 H new ATOM 0 HA MET A 939 -5.712 15.301 -4.208 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.241 13.308 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.707 14.903 -1.938 1.00 0.00 H new ATOM 0 HG2 MET A 939 -6.609 12.757 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 939 -6.320 13.162 -1.258 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.928 14.579 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.240 13.075 -2.398 1.00 0.00 H new ATOM 0 HE3 MET A 939 -8.855 13.577 -0.735 1.00 0.00 H new ATOM 438 N SER A 940 -2.569 14.755 -4.859 1.00 0.00 N ATOM 439 CA SER A 940 -1.254 15.357 -5.026 1.00 0.00 C ATOM 440 C SER A 940 -1.383 16.708 -5.716 1.00 0.00 C ATOM 441 O SER A 940 -0.683 17.660 -5.385 1.00 0.00 O ATOM 442 CB SER A 940 -0.321 14.449 -5.842 1.00 0.00 C ATOM 443 OG SER A 940 -0.451 14.659 -7.238 1.00 0.00 O ATOM 0 H SER A 940 -2.651 13.809 -5.231 1.00 0.00 H new ATOM 0 HA SER A 940 -0.820 15.490 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 940 0.712 14.631 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.540 13.406 -5.612 1.00 0.00 H new ATOM 0 HG SER A 940 -1.374 14.478 -7.511 1.00 0.00 H new ATOM 600 N TYR A 951 -3.481 16.570 4.928 1.00 0.00 N ATOM 601 CA TYR A 951 -2.849 15.253 4.777 1.00 0.00 C ATOM 602 C TYR A 951 -3.346 14.149 5.723 1.00 0.00 C ATOM 603 O TYR A 951 -3.725 13.087 5.248 1.00 0.00 O ATOM 604 CB TYR A 951 -1.332 15.446 4.764 1.00 0.00 C ATOM 605 CG TYR A 951 -0.985 16.313 3.574 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.523 15.992 2.346 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.214 17.473 3.668 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.316 16.780 1.252 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.012 18.269 2.562 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.555 17.912 1.357 1.00 0.00 C ATOM 611 OH TYR A 951 -0.376 18.688 0.246 1.00 0.00 O ATOM 0 HA TYR A 951 -3.170 14.842 3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.999 15.917 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.825 14.483 4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.121 15.098 2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.212 17.752 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -1.753 16.510 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.623 19.156 2.640 1.00 0.00 H new ATOM 0 HH TYR A 951 0.061 19.528 0.500 1.00 0.00 H new ATOM 621 N VAL A 952 -3.368 14.390 7.023 1.00 0.00 N ATOM 622 CA VAL A 952 -3.931 13.446 7.989 1.00 0.00 C ATOM 623 C VAL A 952 -5.337 12.969 7.579 1.00 0.00 C ATOM 624 O VAL A 952 -5.632 11.780 7.672 1.00 0.00 O ATOM 625 CB VAL A 952 -3.992 14.061 9.406 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.484 13.040 10.424 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.632 14.607 9.809 1.00 0.00 C ATOM 0 H VAL A 952 -2.998 15.242 7.444 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.264 12.584 8.000 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.704 14.886 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.517 13.499 11.412 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.483 12.702 10.147 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.805 12.188 10.442 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.694 15.036 10.809 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.900 13.799 9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.325 15.378 9.102 1.00 0.00 H new ATOM 637 N PRO A 953 -6.243 13.878 7.153 1.00 0.00 N ATOM 638 CA PRO A 953 -7.558 13.483 6.628 1.00 0.00 C ATOM 639 C PRO A 953 -7.468 12.392 5.548 1.00 0.00 C ATOM 640 O PRO A 953 -8.221 11.416 5.553 1.00 0.00 O ATOM 641 CB PRO A 953 -8.080 14.795 6.046 1.00 0.00 C ATOM 642 CG PRO A 953 -7.533 15.812 6.972 1.00 0.00 C ATOM 643 CD PRO A 953 -6.135 15.347 7.266 1.00 0.00 C ATOM 0 HA PRO A 953 -8.200 13.043 7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.732 14.950 5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.169 14.819 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.533 16.803 6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.128 15.879 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.416 15.755 6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.809 15.652 8.260 1.00 0.00 H new ATOM 651 N MET A 954 -6.528 12.563 4.626 1.00 0.00 N ATOM 652 CA MET A 954 -6.313 11.582 3.572 1.00 0.00 C ATOM 653 C MET A 954 -5.592 10.365 4.149 1.00 0.00 C ATOM 654 O MET A 954 -5.747 9.254 3.674 1.00 0.00 O ATOM 655 CB MET A 954 -5.541 12.193 2.392 1.00 0.00 C ATOM 656 CG MET A 954 -4.032 12.038 2.460 1.00 0.00 C ATOM 657 SD MET A 954 -3.221 12.625 0.966 1.00 0.00 S ATOM 658 CE MET A 954 -3.977 14.234 0.796 1.00 0.00 C ATOM 0 H MET A 954 -5.905 13.370 4.588 1.00 0.00 H new ATOM 0 HA MET A 954 -7.279 11.261 3.182 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.897 11.735 1.469 1.00 0.00 H new ATOM 0 HB3 MET A 954 -5.779 13.255 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.650 12.589 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 954 -3.783 10.989 2.618 1.00 0.00 H new ATOM 0 HE1 MET A 954 -3.330 14.879 0.201 1.00 0.00 H new ATOM 0 HE2 MET A 954 -4.942 14.132 0.300 1.00 0.00 H new ATOM 0 HE3 MET A 954 -4.121 14.675 1.783 1.00 0.00 H new ATOM 668 N VAL A 955 -4.786 10.599 5.175 1.00 0.00 N ATOM 669 CA VAL A 955 -4.221 9.508 5.978 1.00 0.00 C ATOM 670 C VAL A 955 -5.336 8.613 6.506 1.00 0.00 C ATOM 671 O VAL A 955 -5.180 7.402 6.600 1.00 0.00 O ATOM 672 CB VAL A 955 -3.391 10.028 7.166 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.889 8.882 8.032 1.00 0.00 C ATOM 674 CG2 VAL A 955 -2.236 10.853 6.658 1.00 0.00 C ATOM 0 H VAL A 955 -4.505 11.532 5.476 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.559 8.942 5.323 1.00 0.00 H new ATOM 0 HB VAL A 955 -4.032 10.654 7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.307 9.281 8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.739 8.321 8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.262 8.221 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.651 11.219 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.603 10.238 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.617 11.699 6.086 1.00 0.00 H new ATOM 684 N LYS A 956 -6.460 9.214 6.854 1.00 0.00 N ATOM 685 CA LYS A 956 -7.648 8.455 7.199 1.00 0.00 C ATOM 686 C LYS A 956 -8.082 7.564 6.036 1.00 0.00 C ATOM 687 O LYS A 956 -8.404 6.400 6.252 1.00 0.00 O ATOM 688 CB LYS A 956 -8.787 9.389 7.613 1.00 0.00 C ATOM 689 CG LYS A 956 -10.119 8.682 7.820 1.00 0.00 C ATOM 690 CD LYS A 956 -11.299 9.621 7.616 1.00 0.00 C ATOM 691 CE LYS A 956 -11.408 10.083 6.168 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.679 10.806 5.907 1.00 0.00 N ATOM 0 H LYS A 956 -6.575 10.226 6.905 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.404 7.815 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.509 9.898 8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.909 10.158 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -10.197 7.845 7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.156 8.266 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -12.220 9.116 7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -11.191 10.488 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -10.566 10.733 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -11.340 9.220 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -12.712 11.102 4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -13.483 10.178 6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.733 11.645 6.519 1.00 0.00 H new ATOM 706 N GLU A 957 -8.072 8.074 4.810 1.00 0.00 N ATOM 707 CA GLU A 957 -8.521 7.259 3.681 1.00 0.00 C ATOM 708 C GLU A 957 -7.437 6.275 3.211 1.00 0.00 C ATOM 709 O GLU A 957 -7.729 5.109 2.954 1.00 0.00 O ATOM 710 CB GLU A 957 -9.029 8.127 2.524 1.00 0.00 C ATOM 711 CG GLU A 957 -7.976 8.972 1.834 1.00 0.00 C ATOM 712 CD GLU A 957 -8.583 9.860 0.771 1.00 0.00 C ATOM 713 OE1 GLU A 957 -8.972 9.332 -0.295 1.00 0.00 O ATOM 714 OE2 GLU A 957 -8.695 11.081 1.003 1.00 0.00 O ATOM 0 H GLU A 957 -7.768 9.018 4.573 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.361 6.663 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -9.493 7.478 1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -9.809 8.787 2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -7.461 9.587 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -7.226 8.323 1.382 1.00 0.00 H new ATOM 721 N VAL A 958 -6.189 6.734 3.115 1.00 0.00 N ATOM 722 CA VAL A 958 -5.089 5.875 2.655 1.00 0.00 C ATOM 723 C VAL A 958 -4.654 4.923 3.748 1.00 0.00 C ATOM 724 O VAL A 958 -4.246 3.796 3.473 1.00 0.00 O ATOM 725 CB VAL A 958 -3.856 6.674 2.171 1.00 0.00 C ATOM 726 CG1 VAL A 958 -4.259 7.661 1.106 1.00 0.00 C ATOM 727 CG2 VAL A 958 -3.155 7.389 3.318 1.00 0.00 C ATOM 0 H VAL A 958 -5.912 7.688 3.347 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.484 5.319 1.805 1.00 0.00 H new ATOM 0 HB VAL A 958 -3.148 5.961 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -3.382 8.217 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -4.692 7.127 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -4.995 8.354 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -2.295 7.938 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -3.848 8.085 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -2.819 6.657 4.052 1.00 0.00 H new ATOM 737 N GLY A 959 -4.746 5.377 4.984 1.00 0.00 N ATOM 738 CA GLY A 959 -4.440 4.524 6.098 1.00 0.00 C ATOM 739 C GLY A 959 -5.479 3.444 6.235 1.00 0.00 C ATOM 740 O GLY A 959 -5.171 2.306 6.589 1.00 0.00 O ATOM 0 H GLY A 959 -5.028 6.325 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.456 4.075 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.396 5.113 7.014 1.00 0.00 H new ATOM 744 N LEU A 960 -6.723 3.807 5.935 1.00 0.00 N ATOM 745 CA LEU A 960 -7.802 2.842 5.869 1.00 0.00 C ATOM 746 C LEU A 960 -7.555 1.880 4.718 1.00 0.00 C ATOM 747 O LEU A 960 -7.796 0.690 4.840 1.00 0.00 O ATOM 748 CB LEU A 960 -9.150 3.534 5.672 1.00 0.00 C ATOM 749 CG LEU A 960 -10.371 2.631 5.873 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.596 2.353 7.350 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.609 3.254 5.246 1.00 0.00 C ATOM 0 H LEU A 960 -7.003 4.767 5.734 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.830 2.297 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.217 4.372 6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.185 3.950 4.665 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.179 1.681 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.468 1.710 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.719 1.856 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.763 3.293 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.465 2.597 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.805 4.220 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.445 3.392 4.177 1.00 0.00 H new ATOM 763 N ALA A 961 -7.041 2.397 3.611 1.00 0.00 N ATOM 764 CA ALA A 961 -6.804 1.576 2.433 1.00 0.00 C ATOM 765 C ALA A 961 -5.680 0.576 2.688 1.00 0.00 C ATOM 766 O ALA A 961 -5.884 -0.623 2.547 1.00 0.00 O ATOM 767 CB ALA A 961 -6.494 2.452 1.236 1.00 0.00 C ATOM 0 H ALA A 961 -6.781 3.378 3.504 1.00 0.00 H new ATOM 0 HA ALA A 961 -7.710 1.010 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.319 1.825 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.337 3.116 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -5.603 3.046 1.441 1.00 0.00 H new ATOM 773 N LEU A 962 -4.493 1.075 3.032 1.00 0.00 N ATOM 774 CA LEU A 962 -3.417 0.226 3.559 1.00 0.00 C ATOM 775 C LEU A 962 -3.915 -0.784 4.591 1.00 0.00 C ATOM 776 O LEU A 962 -3.580 -1.946 4.476 1.00 0.00 O ATOM 777 CB LEU A 962 -2.281 1.052 4.171 1.00 0.00 C ATOM 778 CG LEU A 962 -1.713 0.474 5.472 1.00 0.00 C ATOM 779 CD1 LEU A 962 -0.570 -0.490 5.190 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.268 1.580 6.410 1.00 0.00 C ATOM 0 H LEU A 962 -4.249 2.063 2.956 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.035 -0.322 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.475 1.137 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.644 2.062 4.363 1.00 0.00 H new ATOM 0 HG LEU A 962 -2.510 -0.085 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -0.186 -0.885 6.131 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -0.931 -1.312 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 962 0.228 0.035 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -0.869 1.142 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.495 2.178 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.120 2.216 6.653 1.00 0.00 H new ATOM 792 N ARG A 963 -4.674 -0.387 5.604 1.00 0.00 N ATOM 793 CA ARG A 963 -5.117 -1.382 6.584 1.00 0.00 C ATOM 794 C ARG A 963 -6.112 -2.353 5.958 1.00 0.00 C ATOM 795 O ARG A 963 -6.183 -3.509 6.362 1.00 0.00 O ATOM 796 CB ARG A 963 -5.729 -0.760 7.831 1.00 0.00 C ATOM 797 CG ARG A 963 -7.091 -0.153 7.576 1.00 0.00 C ATOM 798 CD ARG A 963 -7.940 -0.127 8.827 1.00 0.00 C ATOM 799 NE ARG A 963 -7.353 0.704 9.878 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.837 0.796 11.114 1.00 0.00 C ATOM 801 NH1 ARG A 963 -8.882 0.061 11.477 1.00 0.00 N ATOM 802 NH2 ARG A 963 -7.266 1.612 11.994 1.00 0.00 N ATOM 0 H ARG A 963 -4.987 0.570 5.770 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.221 -1.919 6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.815 -1.521 8.606 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -5.059 0.010 8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.971 0.862 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.603 -0.723 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.933 0.249 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.067 -1.144 9.199 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.520 1.247 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -9.315 -0.575 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -9.252 0.133 12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -6.456 2.169 11.722 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -7.638 1.682 12.941 1.00 0.00 H new ATOM 816 N THR A 964 -6.861 -1.896 4.963 1.00 0.00 N ATOM 817 CA THR A 964 -7.749 -2.787 4.235 1.00 0.00 C ATOM 818 C THR A 964 -6.901 -3.767 3.432 1.00 0.00 C ATOM 819 O THR A 964 -7.208 -4.956 3.339 1.00 0.00 O ATOM 820 CB THR A 964 -8.720 -2.021 3.298 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.445 -1.037 4.048 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.720 -2.975 2.670 1.00 0.00 C ATOM 0 H THR A 964 -6.871 -0.927 4.646 1.00 0.00 H new ATOM 0 HA THR A 964 -8.369 -3.319 4.957 1.00 0.00 H new ATOM 0 HB THR A 964 -8.130 -1.543 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 964 -8.900 -0.228 4.139 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.392 -2.419 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.189 -3.728 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.298 -3.464 3.454 1.00 0.00 H new ATOM 830 N LEU A 965 -5.804 -3.244 2.900 1.00 0.00 N ATOM 831 CA LEU A 965 -4.802 -4.037 2.198 1.00 0.00 C ATOM 832 C LEU A 965 -4.117 -4.984 3.161 1.00 0.00 C ATOM 833 O LEU A 965 -3.840 -6.141 2.848 1.00 0.00 O ATOM 834 CB LEU A 965 -3.762 -3.104 1.568 1.00 0.00 C ATOM 835 CG LEU A 965 -2.354 -3.688 1.403 1.00 0.00 C ATOM 836 CD1 LEU A 965 -1.842 -3.427 -0.001 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.401 -3.080 2.423 1.00 0.00 C ATOM 0 H LEU A 965 -5.582 -2.249 2.944 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.292 -4.619 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.124 -2.797 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.692 -2.204 2.179 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.405 -4.764 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.841 -3.846 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.510 -3.895 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -1.807 -2.353 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.407 -3.506 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.355 -2.000 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.758 -3.297 3.430 1.00 0.00 H new ATOM 849 N LEU A 966 -3.856 -4.471 4.347 1.00 0.00 N ATOM 850 CA LEU A 966 -3.129 -5.202 5.347 1.00 0.00 C ATOM 851 C LEU A 966 -3.988 -6.362 5.807 1.00 0.00 C ATOM 852 O LEU A 966 -3.511 -7.469 5.981 1.00 0.00 O ATOM 853 CB LEU A 966 -2.773 -4.270 6.518 1.00 0.00 C ATOM 854 CG LEU A 966 -1.879 -4.865 7.614 1.00 0.00 C ATOM 855 CD1 LEU A 966 -1.058 -3.768 8.273 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.713 -5.586 8.665 1.00 0.00 C ATOM 0 H LEU A 966 -4.144 -3.537 4.637 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.196 -5.589 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -2.277 -3.387 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.701 -3.931 6.980 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.208 -5.588 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.427 -4.202 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -0.431 -3.283 7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.726 -3.031 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -2.056 -5.999 9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.408 -4.882 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.273 -6.394 8.194 1.00 0.00 H new ATOM 868 N ALA A 967 -5.277 -6.075 5.974 1.00 0.00 N ATOM 869 CA ALA A 967 -6.249 -7.060 6.421 1.00 0.00 C ATOM 870 C ALA A 967 -6.568 -8.081 5.336 1.00 0.00 C ATOM 871 O ALA A 967 -6.714 -9.252 5.641 1.00 0.00 O ATOM 872 CB ALA A 967 -7.520 -6.378 6.909 1.00 0.00 C ATOM 0 H ALA A 967 -5.674 -5.151 5.802 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.801 -7.602 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.234 -7.133 7.239 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.281 -5.716 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.956 -5.797 6.097 1.00 0.00 H new ATOM 878 N THR A 968 -6.665 -7.665 4.079 1.00 0.00 N ATOM 879 CA THR A 968 -6.908 -8.623 3.004 1.00 0.00 C ATOM 880 C THR A 968 -5.757 -9.626 2.917 1.00 0.00 C ATOM 881 O THR A 968 -5.973 -10.823 2.744 1.00 0.00 O ATOM 882 CB THR A 968 -7.116 -7.927 1.640 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.145 -6.894 1.457 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.518 -7.341 1.543 1.00 0.00 C ATOM 0 H THR A 968 -6.582 -6.693 3.781 1.00 0.00 H new ATOM 0 HA THR A 968 -7.830 -9.153 3.243 1.00 0.00 H new ATOM 0 HB THR A 968 -6.995 -8.674 0.855 1.00 0.00 H new ATOM 0 HG1 THR A 968 -6.596 -6.064 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.643 -6.856 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.254 -8.139 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.662 -6.609 2.337 1.00 0.00 H new ATOM 892 N VAL A 969 -4.542 -9.123 3.069 1.00 0.00 N ATOM 893 CA VAL A 969 -3.347 -9.965 3.130 1.00 0.00 C ATOM 894 C VAL A 969 -3.240 -10.707 4.478 1.00 0.00 C ATOM 895 O VAL A 969 -2.894 -11.892 4.521 1.00 0.00 O ATOM 896 CB VAL A 969 -2.071 -9.133 2.876 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.826 -10.003 2.950 1.00 0.00 C ATOM 898 CG2 VAL A 969 -2.153 -8.441 1.525 1.00 0.00 C ATOM 0 H VAL A 969 -4.352 -8.124 3.154 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.440 -10.712 2.342 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.000 -8.376 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.057 -9.391 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.756 -10.455 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.885 -10.788 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.247 -7.858 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.252 -9.189 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -3.019 -7.779 1.507 1.00 0.00 H new ATOM 908 N ASP A 970 -3.601 -10.042 5.564 1.00 0.00 N ATOM 909 CA ASP A 970 -3.489 -10.644 6.896 1.00 0.00 C ATOM 910 C ASP A 970 -4.480 -11.786 7.023 1.00 0.00 C ATOM 911 O ASP A 970 -4.156 -12.879 7.497 1.00 0.00 O ATOM 912 CB ASP A 970 -3.752 -9.605 7.989 1.00 0.00 C ATOM 913 CG ASP A 970 -3.772 -10.200 9.383 1.00 0.00 C ATOM 914 OD1 ASP A 970 -2.705 -10.266 10.021 1.00 0.00 O ATOM 915 OD2 ASP A 970 -4.864 -10.579 9.855 1.00 0.00 O ATOM 0 H ASP A 970 -3.972 -9.092 5.557 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.475 -11.023 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -2.984 -8.833 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.707 -9.116 7.795 1.00 0.00 H new ATOM 920 N GLU A 971 -5.684 -11.523 6.559 1.00 0.00 N ATOM 921 CA GLU A 971 -6.745 -12.503 6.546 1.00 0.00 C ATOM 922 C GLU A 971 -6.354 -13.656 5.626 1.00 0.00 C ATOM 923 O GLU A 971 -6.683 -14.806 5.876 1.00 0.00 O ATOM 924 CB GLU A 971 -8.020 -11.818 6.069 1.00 0.00 C ATOM 925 CG GLU A 971 -9.290 -12.256 6.780 1.00 0.00 C ATOM 926 CD GLU A 971 -9.695 -13.677 6.460 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.336 -13.891 5.408 1.00 0.00 O ATOM 928 OE2 GLU A 971 -9.394 -14.576 7.269 1.00 0.00 O ATOM 0 H GLU A 971 -5.954 -10.616 6.178 1.00 0.00 H new ATOM 0 HA GLU A 971 -6.914 -12.912 7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -7.905 -10.741 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -8.137 -12.004 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.147 -12.160 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -10.102 -11.583 6.505 1.00 0.00 H new ATOM 935 N SER A 972 -5.603 -13.328 4.577 1.00 0.00 N ATOM 936 CA SER A 972 -5.067 -14.328 3.662 1.00 0.00 C ATOM 937 C SER A 972 -4.060 -15.239 4.356 1.00 0.00 C ATOM 938 O SER A 972 -3.773 -16.332 3.864 1.00 0.00 O ATOM 939 CB SER A 972 -4.423 -13.659 2.444 1.00 0.00 C ATOM 940 OG SER A 972 -5.409 -13.100 1.596 1.00 0.00 O ATOM 0 H SER A 972 -5.351 -12.368 4.340 1.00 0.00 H new ATOM 0 HA SER A 972 -5.902 -14.943 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.736 -12.879 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.834 -14.391 1.891 1.00 0.00 H new ATOM 0 HG SER A 972 -5.495 -12.141 1.781 1.00 0.00 H new ATOM 946 N LEU A 973 -3.534 -14.815 5.505 1.00 0.00 N ATOM 947 CA LEU A 973 -2.552 -15.623 6.216 1.00 0.00 C ATOM 948 C LEU A 973 -3.220 -16.874 6.795 1.00 0.00 C ATOM 949 O LEU A 973 -2.746 -17.983 6.558 1.00 0.00 O ATOM 950 CB LEU A 973 -1.843 -14.796 7.307 1.00 0.00 C ATOM 951 CG LEU A 973 -0.659 -15.475 8.015 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.287 -14.429 8.581 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.140 -16.387 9.134 1.00 0.00 C ATOM 0 H LEU A 973 -3.769 -13.930 5.955 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.786 -15.946 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.487 -13.870 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.580 -14.521 8.061 1.00 0.00 H new ATOM 0 HG LEU A 973 -0.131 -16.079 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.120 -14.924 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.667 -13.806 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.247 -13.806 9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.282 -16.854 9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -1.695 -15.802 9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.788 -17.160 8.720 1.00 0.00 H new ATOM 965 N PRO A 974 -4.327 -16.741 7.565 1.00 0.00 N ATOM 966 CA PRO A 974 -5.099 -17.907 8.011 1.00 0.00 C ATOM 967 C PRO A 974 -6.051 -18.445 6.937 1.00 0.00 C ATOM 968 O PRO A 974 -6.744 -19.437 7.161 1.00 0.00 O ATOM 969 CB PRO A 974 -5.892 -17.391 9.222 1.00 0.00 C ATOM 970 CG PRO A 974 -5.413 -15.995 9.459 1.00 0.00 C ATOM 971 CD PRO A 974 -4.871 -15.516 8.146 1.00 0.00 C ATOM 0 HA PRO A 974 -4.442 -18.745 8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.964 -17.408 9.023 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -5.720 -18.017 10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.227 -15.356 9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -4.643 -15.972 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.650 -15.080 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.104 -14.753 8.277 1.00 0.00 H new ATOM 979 N VAL A 975 -6.101 -17.792 5.781 1.00 0.00 N ATOM 980 CA VAL A 975 -6.873 -18.313 4.657 1.00 0.00 C ATOM 981 C VAL A 975 -6.054 -19.343 3.893 1.00 0.00 C ATOM 982 O VAL A 975 -6.520 -20.456 3.638 1.00 0.00 O ATOM 983 CB VAL A 975 -7.351 -17.199 3.693 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.745 -17.771 2.335 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.532 -16.459 4.297 1.00 0.00 C ATOM 0 H VAL A 975 -5.622 -16.910 5.598 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.764 -18.782 5.074 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.522 -16.507 3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -8.076 -16.963 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -6.886 -18.271 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.555 -18.488 2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.861 -15.678 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.350 -17.158 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -8.234 -16.009 5.244 1.00 0.00 H new ATOM 1049 N THR A 980 2.558 -19.296 3.104 1.00 0.00 N ATOM 1050 CA THR A 980 2.783 -17.918 2.686 1.00 0.00 C ATOM 1051 C THR A 980 2.741 -16.958 3.864 1.00 0.00 C ATOM 1052 O THR A 980 2.771 -15.740 3.682 1.00 0.00 O ATOM 1053 CB THR A 980 1.755 -17.462 1.631 1.00 0.00 C ATOM 1054 OG1 THR A 980 0.448 -17.367 2.184 1.00 0.00 O ATOM 1055 CG2 THR A 980 1.723 -18.427 0.468 1.00 0.00 C ATOM 0 HA THR A 980 3.779 -17.897 2.243 1.00 0.00 H new ATOM 0 HB THR A 980 2.066 -16.476 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 980 -0.180 -17.074 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 980 0.992 -18.088 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 980 2.709 -18.471 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.446 -19.419 0.826 1.00 0.00 H new ATOM 1063 N HIS A 981 2.702 -17.507 5.072 1.00 0.00 N ATOM 1064 CA HIS A 981 2.630 -16.687 6.279 1.00 0.00 C ATOM 1065 C HIS A 981 3.779 -15.680 6.337 1.00 0.00 C ATOM 1066 O HIS A 981 3.582 -14.558 6.772 1.00 0.00 O ATOM 1067 CB HIS A 981 2.577 -17.543 7.563 1.00 0.00 C ATOM 1068 CG HIS A 981 3.837 -18.285 7.914 1.00 0.00 C ATOM 1069 ND1 HIS A 981 4.243 -18.481 9.213 1.00 0.00 N ATOM 1070 CD2 HIS A 981 4.751 -18.914 7.141 1.00 0.00 C ATOM 1071 CE1 HIS A 981 5.352 -19.194 9.227 1.00 0.00 C ATOM 1072 NE2 HIS A 981 5.682 -19.471 7.979 1.00 0.00 N ATOM 0 H HIS A 981 2.719 -18.512 5.244 1.00 0.00 H new ATOM 0 HA HIS A 981 1.695 -16.129 6.226 1.00 0.00 H new ATOM 0 HB2 HIS A 981 2.317 -16.893 8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 981 1.769 -18.268 7.460 1.00 0.00 H new ATOM 0 HD2 HIS A 981 4.748 -18.968 6.062 1.00 0.00 H new ATOM 0 HE1 HIS A 981 5.897 -19.499 10.108 1.00 0.00 H new ATOM 0 HE2 HIS A 981 6.496 -20.011 7.686 1.00 0.00 H new ATOM 1081 N ARG A 982 4.953 -16.054 5.836 1.00 0.00 N ATOM 1082 CA ARG A 982 6.107 -15.159 5.885 1.00 0.00 C ATOM 1083 C ARG A 982 6.108 -14.182 4.709 1.00 0.00 C ATOM 1084 O ARG A 982 6.755 -13.139 4.776 1.00 0.00 O ATOM 1085 CB ARG A 982 7.436 -15.908 5.997 1.00 0.00 C ATOM 1086 CG ARG A 982 7.673 -16.936 4.907 1.00 0.00 C ATOM 1087 CD ARG A 982 9.098 -17.459 4.951 1.00 0.00 C ATOM 1088 NE ARG A 982 9.430 -18.074 6.235 1.00 0.00 N ATOM 1089 CZ ARG A 982 10.484 -17.726 6.975 1.00 0.00 C ATOM 1090 NH1 ARG A 982 11.276 -16.735 6.584 1.00 0.00 N ATOM 1091 NH2 ARG A 982 10.743 -18.365 8.108 1.00 0.00 N ATOM 0 H ARG A 982 5.130 -16.957 5.397 1.00 0.00 H new ATOM 0 HA ARG A 982 6.007 -14.577 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.250 -15.183 5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.476 -16.408 6.965 1.00 0.00 H new ATOM 0 HG2 ARG A 982 6.974 -17.764 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.476 -16.490 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.238 -18.190 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.789 -16.639 4.755 1.00 0.00 H new ATOM 0 HE ARG A 982 8.820 -18.812 6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 982 11.079 -16.237 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 982 12.081 -16.471 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 982 10.136 -19.125 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 982 11.550 -18.097 8.672 1.00 0.00 H new ATOM 1105 N GLU A 983 5.373 -14.489 3.649 1.00 0.00 N ATOM 1106 CA GLU A 983 5.203 -13.528 2.565 1.00 0.00 C ATOM 1107 C GLU A 983 4.255 -12.446 3.040 1.00 0.00 C ATOM 1108 O GLU A 983 4.447 -11.258 2.786 1.00 0.00 O ATOM 1109 CB GLU A 983 4.603 -14.185 1.325 1.00 0.00 C ATOM 1110 CG GLU A 983 5.520 -14.181 0.109 1.00 0.00 C ATOM 1111 CD GLU A 983 6.679 -15.145 0.227 1.00 0.00 C ATOM 1112 OE1 GLU A 983 6.441 -16.337 0.495 1.00 0.00 O ATOM 1113 OE2 GLU A 983 7.836 -14.724 0.010 1.00 0.00 O ATOM 0 H GLU A 983 4.892 -15.379 3.516 1.00 0.00 H new ATOM 0 HA GLU A 983 6.179 -13.122 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.341 -15.216 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.676 -13.672 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 983 4.937 -14.432 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.909 -13.174 -0.040 1.00 0.00 H new ATOM 1120 N ILE A 984 3.253 -12.889 3.778 1.00 0.00 N ATOM 1121 CA ILE A 984 2.243 -12.020 4.342 1.00 0.00 C ATOM 1122 C ILE A 984 2.852 -11.217 5.475 1.00 0.00 C ATOM 1123 O ILE A 984 2.476 -10.072 5.704 1.00 0.00 O ATOM 1124 CB ILE A 984 1.036 -12.852 4.827 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.358 -13.506 3.618 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.055 -11.995 5.615 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.518 -14.681 3.961 1.00 0.00 C ATOM 0 H ILE A 984 3.119 -13.875 4.004 1.00 0.00 H new ATOM 0 HA ILE A 984 1.882 -11.328 3.581 1.00 0.00 H new ATOM 0 HB ILE A 984 1.388 -13.631 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.244 -12.757 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 984 1.127 -13.833 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.784 -12.610 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.558 -11.574 6.485 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.313 -11.187 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.959 -15.085 3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 984 0.081 -15.452 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.311 -14.359 4.636 1.00 0.00 H new ATOM 1139 N GLU A 985 3.841 -11.793 6.129 1.00 0.00 N ATOM 1140 CA GLU A 985 4.580 -11.078 7.143 1.00 0.00 C ATOM 1141 C GLU A 985 5.340 -9.921 6.527 1.00 0.00 C ATOM 1142 O GLU A 985 5.232 -8.777 6.966 1.00 0.00 O ATOM 1143 CB GLU A 985 5.578 -12.000 7.840 1.00 0.00 C ATOM 1144 CG GLU A 985 4.920 -12.984 8.783 1.00 0.00 C ATOM 1145 CD GLU A 985 5.895 -13.572 9.776 1.00 0.00 C ATOM 1146 OE1 GLU A 985 6.223 -12.880 10.762 1.00 0.00 O ATOM 1147 OE2 GLU A 985 6.326 -14.729 9.590 1.00 0.00 O ATOM 0 H GLU A 985 4.149 -12.753 5.975 1.00 0.00 H new ATOM 0 HA GLU A 985 3.861 -10.703 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 985 6.143 -12.550 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 985 6.294 -11.396 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 985 4.115 -12.484 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 985 4.465 -13.788 8.205 1.00 0.00 H new ATOM 1154 N MET A 986 6.093 -10.245 5.484 1.00 0.00 N ATOM 1155 CA MET A 986 7.038 -9.315 4.891 1.00 0.00 C ATOM 1156 C MET A 986 6.320 -8.185 4.162 1.00 0.00 C ATOM 1157 O MET A 986 6.682 -7.015 4.276 1.00 0.00 O ATOM 1158 CB MET A 986 7.947 -10.078 3.920 1.00 0.00 C ATOM 1159 CG MET A 986 8.942 -9.196 3.180 1.00 0.00 C ATOM 1160 SD MET A 986 9.952 -10.125 2.008 1.00 0.00 S ATOM 1161 CE MET A 986 10.970 -8.814 1.330 1.00 0.00 C ATOM 0 H MET A 986 6.064 -11.157 5.028 1.00 0.00 H new ATOM 0 HA MET A 986 7.635 -8.867 5.685 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.495 -10.840 4.474 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.326 -10.599 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.402 -8.412 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.592 -8.702 3.902 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.651 -9.229 0.587 1.00 0.00 H new ATOM 0 HE2 MET A 986 10.333 -8.065 0.860 1.00 0.00 H new ATOM 0 HE3 MET A 986 11.546 -8.350 2.130 1.00 0.00 H new ATOM 1171 N ALA A 987 5.289 -8.561 3.422 1.00 0.00 N ATOM 1172 CA ALA A 987 4.602 -7.656 2.514 1.00 0.00 C ATOM 1173 C ALA A 987 3.711 -6.655 3.239 1.00 0.00 C ATOM 1174 O ALA A 987 3.792 -5.455 2.978 1.00 0.00 O ATOM 1175 CB ALA A 987 3.790 -8.455 1.514 1.00 0.00 C ATOM 0 H ALA A 987 4.904 -9.505 3.434 1.00 0.00 H new ATOM 0 HA ALA A 987 5.365 -7.076 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.277 -7.774 0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.453 -9.105 0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.055 -9.062 2.044 1.00 0.00 H new ATOM 1181 N GLN A 988 2.846 -7.134 4.135 1.00 0.00 N ATOM 1182 CA GLN A 988 1.974 -6.214 4.870 1.00 0.00 C ATOM 1183 C GLN A 988 2.812 -5.311 5.772 1.00 0.00 C ATOM 1184 O GLN A 988 2.401 -4.211 6.129 1.00 0.00 O ATOM 1185 CB GLN A 988 0.880 -6.955 5.658 1.00 0.00 C ATOM 1186 CG GLN A 988 1.337 -7.635 6.940 1.00 0.00 C ATOM 1187 CD GLN A 988 0.241 -8.499 7.547 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -1.008 -8.114 7.321 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 0.515 -9.496 8.216 1.00 0.00 N flip ATOM 0 H GLN A 988 2.731 -8.121 4.365 1.00 0.00 H new ATOM 0 HA GLN A 988 1.452 -5.589 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.092 -6.244 5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.436 -7.708 5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.212 -8.251 6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.645 -6.879 7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 988 1.489 -9.758 8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.232 -10.060 8.620 1.00 0.00 H new ATOM 1198 N LYS A 989 4.003 -5.792 6.100 1.00 0.00 N ATOM 1199 CA LYS A 989 5.015 -5.015 6.805 1.00 0.00 C ATOM 1200 C LYS A 989 5.668 -3.984 5.882 1.00 0.00 C ATOM 1201 O LYS A 989 5.981 -2.867 6.292 1.00 0.00 O ATOM 1202 CB LYS A 989 6.068 -5.984 7.334 1.00 0.00 C ATOM 1203 CG LYS A 989 7.491 -5.451 7.364 1.00 0.00 C ATOM 1204 CD LYS A 989 8.486 -6.572 7.630 1.00 0.00 C ATOM 1205 CE LYS A 989 9.892 -6.044 7.872 1.00 0.00 C ATOM 1206 NZ LYS A 989 10.075 -5.573 9.271 1.00 0.00 N ATOM 0 H LYS A 989 4.298 -6.744 5.882 1.00 0.00 H new ATOM 0 HA LYS A 989 4.547 -4.468 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.788 -6.281 8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.049 -6.885 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.724 -4.971 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.582 -4.688 8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.161 -7.147 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 989 8.497 -7.255 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 989 10.617 -6.829 7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.095 -5.224 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 11.046 -5.221 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 9.401 -4.806 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 9.906 -6.362 9.928 1.00 0.00 H new ATOM 1220 N LEU A 990 5.930 -4.401 4.649 1.00 0.00 N ATOM 1221 CA LEU A 990 6.522 -3.526 3.654 1.00 0.00 C ATOM 1222 C LEU A 990 5.753 -2.207 3.511 1.00 0.00 C ATOM 1223 O LEU A 990 6.307 -1.134 3.752 1.00 0.00 O ATOM 1224 CB LEU A 990 6.584 -4.252 2.322 1.00 0.00 C ATOM 1225 CG LEU A 990 6.939 -3.371 1.144 1.00 0.00 C ATOM 1226 CD1 LEU A 990 8.396 -2.934 1.220 1.00 0.00 C ATOM 1227 CD2 LEU A 990 6.650 -4.101 -0.160 1.00 0.00 C ATOM 0 H LEU A 990 5.739 -5.346 4.317 1.00 0.00 H new ATOM 0 HA LEU A 990 7.529 -3.270 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.318 -5.055 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 990 5.618 -4.720 2.132 1.00 0.00 H new ATOM 0 HG LEU A 990 6.322 -2.473 1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 990 8.631 -2.301 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.560 -2.374 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.041 -3.813 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 990 6.909 -3.459 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.243 -5.014 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.591 -4.354 -0.209 1.00 0.00 H new ATOM 1239 N LEU A 991 4.478 -2.284 3.152 1.00 0.00 N ATOM 1240 CA LEU A 991 3.658 -1.080 3.010 1.00 0.00 C ATOM 1241 C LEU A 991 3.477 -0.419 4.364 1.00 0.00 C ATOM 1242 O LEU A 991 3.328 0.797 4.471 1.00 0.00 O ATOM 1243 CB LEU A 991 2.291 -1.437 2.435 1.00 0.00 C ATOM 1244 CG LEU A 991 1.680 -0.409 1.477 1.00 0.00 C ATOM 1245 CD1 LEU A 991 1.080 0.765 2.233 1.00 0.00 C ATOM 1246 CD2 LEU A 991 2.729 0.075 0.492 1.00 0.00 C ATOM 0 H LEU A 991 3.989 -3.157 2.955 1.00 0.00 H new ATOM 0 HA LEU A 991 4.162 -0.392 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 991 2.376 -2.389 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 991 1.599 -1.590 3.263 1.00 0.00 H new ATOM 0 HG LEU A 991 0.874 -0.896 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 991 0.655 1.476 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 991 0.297 0.406 2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 991 1.857 1.257 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.284 0.805 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 991 3.552 0.538 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.105 -0.771 -0.084 1.00 0.00 H new ATOM 1258 N ASN A 992 3.514 -1.253 5.389 1.00 0.00 N ATOM 1259 CA ASN A 992 3.367 -0.827 6.771 1.00 0.00 C ATOM 1260 C ASN A 992 4.333 0.307 7.113 1.00 0.00 C ATOM 1261 O ASN A 992 3.915 1.393 7.520 1.00 0.00 O ATOM 1262 CB ASN A 992 3.649 -2.036 7.649 1.00 0.00 C ATOM 1263 CG ASN A 992 3.594 -1.752 9.134 1.00 0.00 C ATOM 1264 OD1 ASN A 992 4.570 -1.300 9.731 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.468 -2.073 9.750 1.00 0.00 N ATOM 0 H ASN A 992 3.649 -2.259 5.284 1.00 0.00 H new ATOM 0 HA ASN A 992 2.359 -0.447 6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 992 2.927 -2.818 7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.636 -2.428 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.385 -1.948 10.759 1.00 0.00 H new ATOM 0 HD22 ASN A 992 1.683 -2.445 9.216 1.00 0.00 H new ATOM 1272 N SER A 993 5.619 0.072 6.910 1.00 0.00 N ATOM 1273 CA SER A 993 6.627 1.073 7.235 1.00 0.00 C ATOM 1274 C SER A 993 6.698 2.173 6.173 1.00 0.00 C ATOM 1275 O SER A 993 6.968 3.328 6.495 1.00 0.00 O ATOM 1276 CB SER A 993 7.996 0.407 7.425 1.00 0.00 C ATOM 1277 OG SER A 993 8.986 1.348 7.816 1.00 0.00 O ATOM 0 H SER A 993 5.990 -0.796 6.524 1.00 0.00 H new ATOM 0 HA SER A 993 6.335 1.548 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 993 7.919 -0.376 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.299 -0.075 6.496 1.00 0.00 H new ATOM 0 HG SER A 993 9.845 0.891 7.930 1.00 0.00 H new ATOM 1283 N ASP A 994 6.470 1.827 4.918 1.00 0.00 N ATOM 1284 CA ASP A 994 6.527 2.832 3.856 1.00 0.00 C ATOM 1285 C ASP A 994 5.403 3.865 3.971 1.00 0.00 C ATOM 1286 O ASP A 994 5.607 5.040 3.682 1.00 0.00 O ATOM 1287 CB ASP A 994 6.559 2.184 2.475 1.00 0.00 C ATOM 1288 CG ASP A 994 7.982 1.929 2.026 1.00 0.00 C ATOM 1289 OD1 ASP A 994 8.645 1.039 2.604 1.00 0.00 O ATOM 1290 OD2 ASP A 994 8.458 2.638 1.117 1.00 0.00 O ATOM 0 H ASP A 994 6.248 0.881 4.607 1.00 0.00 H new ATOM 0 HA ASP A 994 7.463 3.375 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.008 1.244 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 994 6.057 2.830 1.755 1.00 0.00 H new ATOM 1295 N LEU A 995 4.220 3.432 4.391 1.00 0.00 N ATOM 1296 CA LEU A 995 3.126 4.362 4.678 1.00 0.00 C ATOM 1297 C LEU A 995 3.395 5.104 5.982 1.00 0.00 C ATOM 1298 O LEU A 995 2.833 6.170 6.211 1.00 0.00 O ATOM 1299 CB LEU A 995 1.758 3.662 4.690 1.00 0.00 C ATOM 1300 CG LEU A 995 0.542 4.588 4.849 1.00 0.00 C ATOM 1301 CD1 LEU A 995 -0.624 4.082 4.021 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.129 4.694 6.310 1.00 0.00 C ATOM 0 H LEU A 995 3.991 2.449 4.541 1.00 0.00 H new ATOM 0 HA LEU A 995 3.086 5.093 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.648 3.103 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.748 2.936 5.503 1.00 0.00 H new ATOM 0 HG LEU A 995 0.826 5.579 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -1.476 4.750 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 995 -0.338 4.052 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.897 3.080 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -0.734 5.355 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -0.132 3.705 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 995 0.956 5.098 6.894 1.00 0.00 H new ATOM 1314 N ALA A 996 4.294 4.599 6.803 1.00 0.00 N ATOM 1315 CA ALA A 996 4.781 5.398 7.927 1.00 0.00 C ATOM 1316 C ALA A 996 5.757 6.468 7.419 1.00 0.00 C ATOM 1317 O ALA A 996 5.871 7.540 8.006 1.00 0.00 O ATOM 1318 CB ALA A 996 5.414 4.527 9.003 1.00 0.00 C ATOM 0 H ALA A 996 4.698 3.666 6.724 1.00 0.00 H new ATOM 0 HA ALA A 996 3.930 5.897 8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.764 5.156 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.675 3.819 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.257 3.981 8.580 1.00 0.00 H new ATOM 1324 N GLU A 997 6.405 6.195 6.292 1.00 0.00 N ATOM 1325 CA GLU A 997 7.253 7.181 5.615 1.00 0.00 C ATOM 1326 C GLU A 997 6.389 8.222 4.916 1.00 0.00 C ATOM 1327 O GLU A 997 6.695 9.419 4.954 1.00 0.00 O ATOM 1328 CB GLU A 997 8.152 6.497 4.580 1.00 0.00 C ATOM 1329 CG GLU A 997 9.018 7.463 3.789 1.00 0.00 C ATOM 1330 CD GLU A 997 10.178 8.016 4.585 1.00 0.00 C ATOM 1331 OE1 GLU A 997 9.978 8.426 5.746 1.00 0.00 O ATOM 1332 OE2 GLU A 997 11.296 8.063 4.035 1.00 0.00 O ATOM 0 H GLU A 997 6.361 5.291 5.821 1.00 0.00 H new ATOM 0 HA GLU A 997 7.877 7.667 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.795 5.779 5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.529 5.931 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.403 6.955 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.400 8.290 3.438 1.00 0.00 H new ATOM 1339 N LEU A 998 5.306 7.771 4.297 1.00 0.00 N ATOM 1340 CA LEU A 998 4.385 8.676 3.632 1.00 0.00 C ATOM 1341 C LEU A 998 3.883 9.737 4.596 1.00 0.00 C ATOM 1342 O LEU A 998 3.911 10.930 4.297 1.00 0.00 O ATOM 1343 CB LEU A 998 3.180 7.915 3.081 1.00 0.00 C ATOM 1344 CG LEU A 998 1.900 8.750 2.971 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.940 9.602 1.722 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.661 7.870 2.990 1.00 0.00 C ATOM 0 H LEU A 998 5.046 6.786 4.243 1.00 0.00 H new ATOM 0 HA LEU A 998 4.928 9.149 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.431 7.526 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.984 7.055 3.722 1.00 0.00 H new ATOM 0 HG LEU A 998 1.845 9.407 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.025 10.191 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.800 10.270 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.024 8.959 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.229 8.494 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.695 7.176 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.628 7.308 3.923 1.00 0.00 H new ATOM 1358 N ILE A 999 3.477 9.286 5.776 1.00 0.00 N ATOM 1359 CA ILE A 999 2.794 10.147 6.734 1.00 0.00 C ATOM 1360 C ILE A 999 3.724 11.213 7.304 1.00 0.00 C ATOM 1361 O ILE A 999 3.315 12.353 7.492 1.00 0.00 O ATOM 1362 CB ILE A 999 2.172 9.326 7.887 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.091 8.386 7.343 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.581 10.247 8.948 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.486 7.489 8.403 1.00 0.00 C ATOM 0 H ILE A 999 3.609 8.326 6.094 1.00 0.00 H new ATOM 0 HA ILE A 999 1.995 10.647 6.187 1.00 0.00 H new ATOM 0 HB ILE A 999 2.960 8.731 8.349 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.300 8.980 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.521 7.767 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 999 1.149 9.648 9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.366 10.885 9.354 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.805 10.867 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.272 6.850 7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.267 6.869 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.027 8.101 9.179 1.00 0.00 H new ATOM 1377 N ASN A1000 4.972 10.850 7.558 1.00 0.00 N ATOM 1378 CA ASN A1000 5.934 11.782 8.148 1.00 0.00 C ATOM 1379 C ASN A1000 6.145 13.001 7.252 1.00 0.00 C ATOM 1380 O ASN A1000 6.102 14.148 7.705 1.00 0.00 O ATOM 1381 CB ASN A1000 7.278 11.081 8.388 1.00 0.00 C ATOM 1382 CG ASN A1000 7.186 9.968 9.412 1.00 0.00 C ATOM 1383 OD1 ASN A1000 6.385 10.028 10.343 1.00 0.00 O ATOM 1384 ND2 ASN A1000 8.005 8.942 9.244 1.00 0.00 N ATOM 0 H ASN A1000 5.346 9.921 7.367 1.00 0.00 H new ATOM 0 HA ASN A1000 5.526 12.120 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.642 10.672 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A1000 8.011 11.815 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A1000 7.986 8.162 9.901 1.00 0.00 H new ATOM 0 HD22 ASN A1000 8.655 8.932 8.458 1.00 0.00 H new ATOM 1391 N LYS A1001 6.341 12.746 5.977 1.00 0.00 N ATOM 1392 CA LYS A1001 6.700 13.796 5.037 1.00 0.00 C ATOM 1393 C LYS A1001 5.459 14.517 4.525 1.00 0.00 C ATOM 1394 O LYS A1001 5.470 15.731 4.304 1.00 0.00 O ATOM 1395 CB LYS A1001 7.561 13.208 3.915 1.00 0.00 C ATOM 1396 CG LYS A1001 8.937 12.799 4.429 1.00 0.00 C ATOM 1397 CD LYS A1001 9.704 11.907 3.469 1.00 0.00 C ATOM 1398 CE LYS A1001 11.083 11.590 4.033 1.00 0.00 C ATOM 1399 NZ LYS A1001 11.818 10.583 3.225 1.00 0.00 N ATOM 0 H LYS A1001 6.258 11.818 5.562 1.00 0.00 H new ATOM 0 HA LYS A1001 7.298 14.554 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A1001 7.059 12.342 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.672 13.942 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A1001 9.524 13.696 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A1001 8.821 12.280 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A1001 9.151 10.983 3.299 1.00 0.00 H new ATOM 0 HD3 LYS A1001 9.803 12.401 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A1001 11.670 12.507 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.977 11.223 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 11.930 9.709 3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 11.284 10.378 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 12.756 10.956 2.974 1.00 0.00 H new ATOM 1413 N MET A1002 4.365 13.786 4.427 1.00 0.00 N ATOM 1414 CA MET A1002 3.090 14.384 4.088 1.00 0.00 C ATOM 1415 C MET A1002 2.694 15.341 5.202 1.00 0.00 C ATOM 1416 O MET A1002 2.016 16.344 4.991 1.00 0.00 O ATOM 1417 CB MET A1002 2.017 13.299 3.923 1.00 0.00 C ATOM 1418 CG MET A1002 1.389 12.792 5.201 1.00 0.00 C ATOM 1419 SD MET A1002 0.368 11.341 4.911 1.00 0.00 S ATOM 1420 CE MET A1002 -0.709 11.935 3.609 1.00 0.00 C ATOM 0 H MET A1002 4.335 12.778 4.577 1.00 0.00 H new ATOM 0 HA MET A1002 3.177 14.923 3.145 1.00 0.00 H new ATOM 0 HB2 MET A1002 1.226 13.691 3.283 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.461 12.453 3.399 1.00 0.00 H new ATOM 0 HG2 MET A1002 2.172 12.548 5.919 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.782 13.581 5.646 1.00 0.00 H new ATOM 0 HE1 MET A1002 -0.860 11.145 2.873 1.00 0.00 H new ATOM 0 HE2 MET A1002 -1.670 12.223 4.035 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.253 12.799 3.125 1.00 0.00 H new ATOM 1430 N LYS A1003 3.188 15.020 6.398 1.00 0.00 N ATOM 1431 CA LYS A1003 2.786 15.687 7.616 1.00 0.00 C ATOM 1432 C LYS A1003 3.261 17.128 7.610 1.00 0.00 C ATOM 1433 O LYS A1003 2.475 18.063 7.769 1.00 0.00 O ATOM 1434 CB LYS A1003 3.391 14.971 8.829 1.00 0.00 C ATOM 1435 CG LYS A1003 2.494 14.935 10.055 1.00 0.00 C ATOM 1436 CD LYS A1003 1.244 14.113 9.793 1.00 0.00 C ATOM 1437 CE LYS A1003 0.549 13.709 11.085 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.333 14.864 11.994 1.00 0.00 N ATOM 0 H LYS A1003 3.881 14.285 6.540 1.00 0.00 H new ATOM 0 HA LYS A1003 1.698 15.663 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.637 13.948 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.327 15.462 9.094 1.00 0.00 H new ATOM 0 HG2 LYS A1003 3.041 14.512 10.898 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.213 15.951 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.555 14.688 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.509 13.219 9.229 1.00 0.00 H new ATOM 0 HE2 LYS A1003 -0.411 13.250 10.850 1.00 0.00 H new ATOM 0 HE3 LYS A1003 1.147 12.954 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 -0.288 14.578 12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.247 15.182 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 -0.112 15.642 11.467 1.00 0.00 H new ATOM 1452 N LEU A1004 4.560 17.292 7.396 1.00 0.00 N ATOM 1453 CA LEU A1004 5.177 18.608 7.388 1.00 0.00 C ATOM 1454 C LEU A1004 4.776 19.401 6.154 1.00 0.00 C ATOM 1455 O LEU A1004 4.957 20.614 6.112 1.00 0.00 O ATOM 1456 CB LEU A1004 6.705 18.509 7.484 1.00 0.00 C ATOM 1457 CG LEU A1004 7.269 18.175 8.875 1.00 0.00 C ATOM 1458 CD1 LEU A1004 6.904 16.761 9.298 1.00 0.00 C ATOM 1459 CD2 LEU A1004 8.776 18.360 8.899 1.00 0.00 C ATOM 0 H LEU A1004 5.209 16.524 7.225 1.00 0.00 H new ATOM 0 HA LEU A1004 4.813 19.139 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.045 17.747 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.133 19.457 7.158 1.00 0.00 H new ATOM 0 HG LEU A1004 6.819 18.865 9.588 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.318 16.558 10.286 1.00 0.00 H new ATOM 0 HD12 LEU A1004 5.819 16.660 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.312 16.050 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A1004 9.156 18.119 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.235 17.699 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.019 19.395 8.659 1.00 0.00 H new ATOM 1471 N ALA A1005 4.198 18.731 5.169 1.00 0.00 N ATOM 1472 CA ALA A1005 3.782 19.428 3.968 1.00 0.00 C ATOM 1473 C ALA A1005 2.600 20.349 4.272 1.00 0.00 C ATOM 1474 O ALA A1005 2.676 21.536 4.015 1.00 0.00 O ATOM 1475 CB ALA A1005 3.461 18.451 2.851 1.00 0.00 C ATOM 0 H ALA A1005 4.011 17.728 5.177 1.00 0.00 H new ATOM 0 HA ALA A1005 4.610 20.047 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.152 19.002 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.346 17.858 2.620 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.654 17.790 3.167 1.00 0.00 H new ATOM 1481 N GLN A1006 1.527 19.818 4.830 1.00 0.00 N ATOM 1482 CA GLN A1006 0.419 20.657 5.318 1.00 0.00 C ATOM 1483 C GLN A1006 0.841 21.571 6.466 1.00 0.00 C ATOM 1484 O GLN A1006 0.241 22.635 6.631 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.810 19.824 5.705 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.558 18.729 6.743 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.872 19.166 8.163 1.00 0.00 C ATOM 1488 OE1 GLN A1006 0.140 19.582 8.899 1.00 0.00 O flip ATOM 1489 NE2 GLN A1006 -2.019 19.088 8.607 1.00 0.00 N flip ATOM 0 H GLN A1006 1.388 18.816 4.961 1.00 0.00 H new ATOM 0 HA GLN A1006 0.136 21.296 4.481 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.577 20.496 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.213 19.362 4.804 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -1.164 17.857 6.496 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.485 18.418 6.688 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -2.777 18.762 8.007 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -2.210 19.350 9.574 1.00 0.00 H new ATOM 1498 N GLN A1007 1.881 21.208 7.218 1.00 0.00 N ATOM 1499 CA GLN A1007 2.386 22.098 8.270 1.00 0.00 C ATOM 1500 C GLN A1007 2.649 23.483 7.700 1.00 0.00 C ATOM 1501 O GLN A1007 2.205 24.495 8.236 1.00 0.00 O ATOM 1502 CB GLN A1007 3.671 21.565 8.897 1.00 0.00 C ATOM 1503 CG GLN A1007 3.463 20.335 9.764 1.00 0.00 C ATOM 1504 CD GLN A1007 4.627 20.071 10.699 1.00 0.00 C ATOM 1505 OE1 GLN A1007 5.813 20.519 10.317 1.00 0.00 O flip ATOM 1506 NE2 GLN A1007 4.459 19.484 11.768 1.00 0.00 N flip ATOM 0 H GLN A1007 2.382 20.325 7.124 1.00 0.00 H new ATOM 0 HA GLN A1007 1.622 22.149 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A1007 4.379 21.324 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A1007 4.124 22.352 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A1007 2.553 20.459 10.351 1.00 0.00 H new ATOM 0 HG3 GLN A1007 3.313 19.466 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A1007 3.530 19.153 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A1007 5.249 19.328 12.394 1.00 0.00 H new ATOM 1515 N TYR A1008 3.374 23.521 6.597 1.00 0.00 N ATOM 1516 CA TYR A1008 3.549 24.759 5.878 1.00 0.00 C ATOM 1517 C TYR A1008 3.120 24.575 4.436 1.00 0.00 C ATOM 1518 O TYR A1008 3.848 24.910 3.497 1.00 0.00 O ATOM 1519 CB TYR A1008 4.979 25.282 5.996 1.00 0.00 C ATOM 1520 CG TYR A1008 5.281 25.841 7.366 1.00 0.00 C ATOM 1521 CD1 TYR A1008 5.011 27.167 7.663 1.00 0.00 C ATOM 1522 CD2 TYR A1008 5.815 25.041 8.367 1.00 0.00 C ATOM 1523 CE1 TYR A1008 5.267 27.682 8.917 1.00 0.00 C ATOM 1524 CE2 TYR A1008 6.070 25.547 9.627 1.00 0.00 C ATOM 1525 CZ TYR A1008 5.795 26.868 9.895 1.00 0.00 C ATOM 1526 OH TYR A1008 6.046 27.378 11.148 1.00 0.00 O ATOM 0 H TYR A1008 3.845 22.715 6.187 1.00 0.00 H new ATOM 0 HA TYR A1008 2.913 25.521 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.677 24.474 5.775 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.141 26.057 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A1008 4.593 27.808 6.901 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.035 24.005 8.157 1.00 0.00 H new ATOM 0 HE1 TYR A1008 5.054 28.719 9.131 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.482 24.910 10.396 1.00 0.00 H new ATOM 0 HH TYR A1008 6.416 26.673 11.720 1.00 0.00 H new ATOM 1536 N VAL A1009 1.918 24.010 4.291 1.00 0.00 N ATOM 1537 CA VAL A1009 1.225 23.912 3.006 1.00 0.00 C ATOM 1538 C VAL A1009 1.091 25.293 2.391 1.00 0.00 C ATOM 1539 O VAL A1009 0.856 25.438 1.189 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.182 23.299 3.180 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.997 24.188 4.101 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.879 23.114 1.836 1.00 0.00 C ATOM 0 H VAL A1009 1.396 23.605 5.068 1.00 0.00 H new ATOM 0 HA VAL A1009 1.811 23.265 2.353 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.086 22.309 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.992 23.763 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.504 24.257 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.081 25.184 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.866 22.681 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.982 24.081 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.287 22.448 1.208 1.00 0.00 H new ATOM 1552 N MET A1010 1.230 26.295 3.250 1.00 0.00 N ATOM 1553 CA MET A1010 1.305 27.684 2.830 1.00 0.00 C ATOM 1554 C MET A1010 2.147 27.819 1.562 1.00 0.00 C ATOM 1555 O MET A1010 1.691 28.402 0.575 1.00 0.00 O ATOM 1556 CB MET A1010 1.894 28.534 3.958 1.00 0.00 C ATOM 1557 CG MET A1010 1.068 28.497 5.235 1.00 0.00 C ATOM 1558 SD MET A1010 1.822 29.415 6.591 1.00 0.00 S ATOM 1559 CE MET A1010 0.609 29.153 7.884 1.00 0.00 C ATOM 0 H MET A1010 1.294 26.164 4.260 1.00 0.00 H new ATOM 0 HA MET A1010 0.299 28.039 2.607 1.00 0.00 H new ATOM 0 HB2 MET A1010 2.903 28.186 4.177 1.00 0.00 H new ATOM 0 HB3 MET A1010 1.979 29.566 3.619 1.00 0.00 H new ATOM 0 HG2 MET A1010 0.078 28.907 5.033 1.00 0.00 H new ATOM 0 HG3 MET A1010 0.927 27.460 5.540 1.00 0.00 H new ATOM 0 HE1 MET A1010 0.931 29.661 8.793 1.00 0.00 H new ATOM 0 HE2 MET A1010 -0.354 29.554 7.566 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.511 28.085 8.080 1.00 0.00 H new ATOM 1569 N THR A1011 3.360 27.250 1.578 1.00 0.00 N ATOM 1570 CA THR A1011 4.214 27.240 0.387 1.00 0.00 C ATOM 1571 C THR A1011 5.339 26.195 0.483 1.00 0.00 C ATOM 1572 O THR A1011 5.263 25.116 -0.121 1.00 0.00 O ATOM 1573 CB THR A1011 4.866 28.624 0.127 1.00 0.00 C ATOM 1574 OG1 THR A1011 3.874 29.654 0.057 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.659 28.614 -1.171 1.00 0.00 C ATOM 0 H THR A1011 3.767 26.795 2.395 1.00 0.00 H new ATOM 0 HA THR A1011 3.550 26.984 -0.439 1.00 0.00 H new ATOM 0 HB THR A1011 5.538 28.827 0.961 1.00 0.00 H new ATOM 0 HG1 THR A1011 3.001 29.255 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A1011 6.106 29.595 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A1011 6.446 27.862 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A1011 4.994 28.378 -2.002 1.00 0.00 H new ATOM 1583 N SER A1012 6.353 26.525 1.282 1.00 0.00 N ATOM 1584 CA SER A1012 7.653 25.851 1.243 1.00 0.00 C ATOM 1585 C SER A1012 7.575 24.335 1.440 1.00 0.00 C ATOM 1586 O SER A1012 7.659 23.566 0.461 1.00 0.00 O ATOM 1587 CB SER A1012 8.577 26.477 2.290 1.00 0.00 C ATOM 1588 OG SER A1012 7.918 26.592 3.543 1.00 0.00 O ATOM 0 H SER A1012 6.297 27.269 1.977 1.00 0.00 H new ATOM 0 HA SER A1012 8.053 25.996 0.239 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.474 25.867 2.401 1.00 0.00 H new ATOM 0 HB3 SER A1012 8.901 27.462 1.953 1.00 0.00 H new ATOM 0 HG SER A1012 8.527 26.993 4.198 1.00 0.00 H new ATOM 1594 N LEU A1013 7.446 23.899 2.700 1.00 0.00 N ATOM 1595 CA LEU A1013 7.452 22.478 3.018 1.00 0.00 C ATOM 1596 C LEU A1013 6.532 21.714 2.123 1.00 0.00 C ATOM 1597 O LEU A1013 6.899 20.662 1.628 1.00 0.00 O ATOM 1598 CB LEU A1013 7.000 22.199 4.446 1.00 0.00 C ATOM 1599 CG LEU A1013 7.613 23.096 5.524 1.00 0.00 C ATOM 1600 CD1 LEU A1013 7.277 22.559 6.905 1.00 0.00 C ATOM 1601 CD2 LEU A1013 9.124 23.201 5.352 1.00 0.00 C ATOM 0 H LEU A1013 7.337 24.512 3.508 1.00 0.00 H new ATOM 0 HA LEU A1013 8.486 22.161 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A1013 5.915 22.299 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A1013 7.235 21.162 4.686 1.00 0.00 H new ATOM 0 HG LEU A1013 7.189 24.095 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A1013 7.718 23.205 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A1013 6.195 22.536 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A1013 7.677 21.550 7.010 1.00 0.00 H new ATOM 0 HD21 LEU A1013 9.535 23.844 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A1013 9.569 22.209 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A1013 9.350 23.626 4.374 1.00 0.00 H new ATOM 1613 N GLN A1014 5.358 22.272 1.886 1.00 0.00 N ATOM 1614 CA GLN A1014 4.290 21.508 1.303 1.00 0.00 C ATOM 1615 C GLN A1014 4.752 20.837 0.041 1.00 0.00 C ATOM 1616 O GLN A1014 4.768 19.627 -0.051 1.00 0.00 O ATOM 1617 CB GLN A1014 3.089 22.394 1.029 1.00 0.00 C ATOM 1618 CG GLN A1014 2.340 22.065 -0.239 1.00 0.00 C ATOM 1619 CD GLN A1014 1.867 20.658 -0.327 1.00 0.00 C ATOM 1620 OE1 GLN A1014 1.786 20.005 0.790 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 1.651 20.142 -1.415 1.00 0.00 N flip ATOM 0 H GLN A1014 5.129 23.245 2.089 1.00 0.00 H new ATOM 0 HA GLN A1014 3.991 20.736 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.401 22.321 1.871 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.423 23.430 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.480 22.730 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.986 22.272 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A1014 1.727 20.697 -2.267 1.00 0.00 H new ATOM 0 HE22 GLN A1014 1.394 19.156 -1.470 1.00 0.00 H new ATOM 1630 N GLN A1015 5.189 21.639 -0.899 1.00 0.00 N ATOM 1631 CA GLN A1015 5.439 21.141 -2.228 1.00 0.00 C ATOM 1632 C GLN A1015 6.595 20.146 -2.221 1.00 0.00 C ATOM 1633 O GLN A1015 6.556 19.125 -2.905 1.00 0.00 O ATOM 1634 CB GLN A1015 5.728 22.299 -3.181 1.00 0.00 C ATOM 1635 CG GLN A1015 4.546 23.238 -3.367 1.00 0.00 C ATOM 1636 CD GLN A1015 4.894 24.464 -4.189 1.00 0.00 C ATOM 1637 OE1 GLN A1015 5.859 24.321 -5.086 1.00 0.00 O flip ATOM 1638 NE2 GLN A1015 4.305 25.533 -4.017 1.00 0.00 N flip ATOM 0 H GLN A1015 5.378 22.633 -0.769 1.00 0.00 H new ATOM 0 HA GLN A1015 4.547 20.621 -2.577 1.00 0.00 H new ATOM 0 HB2 GLN A1015 6.578 22.867 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A1015 6.019 21.897 -4.151 1.00 0.00 H new ATOM 0 HG2 GLN A1015 3.733 22.699 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A1015 4.181 23.553 -2.390 1.00 0.00 H new ATOM 0 HE21 GLN A1015 3.567 25.602 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A1015 4.555 26.349 -4.576 1.00 0.00 H new ATOM 1647 N GLU A1016 7.607 20.430 -1.412 1.00 0.00 N ATOM 1648 CA GLU A1016 8.755 19.535 -1.286 1.00 0.00 C ATOM 1649 C GLU A1016 8.357 18.250 -0.562 1.00 0.00 C ATOM 1650 O GLU A1016 8.694 17.144 -0.984 1.00 0.00 O ATOM 1651 CB GLU A1016 9.859 20.234 -0.507 1.00 0.00 C ATOM 1652 CG GLU A1016 11.127 19.411 -0.375 1.00 0.00 C ATOM 1653 CD GLU A1016 12.160 20.086 0.496 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.804 21.047 0.024 1.00 0.00 O ATOM 1655 OE2 GLU A1016 12.328 19.670 1.660 1.00 0.00 O ATOM 0 H GLU A1016 7.659 21.269 -0.834 1.00 0.00 H new ATOM 0 HA GLU A1016 9.111 19.279 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A1016 10.098 21.177 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A1016 9.490 20.479 0.489 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.882 18.435 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A1016 11.548 19.235 -1.365 1.00 0.00 H new ATOM 1662 N TYR A1017 7.616 18.420 0.514 1.00 0.00 N ATOM 1663 CA TYR A1017 7.196 17.331 1.370 1.00 0.00 C ATOM 1664 C TYR A1017 6.136 16.471 0.707 1.00 0.00 C ATOM 1665 O TYR A1017 6.032 15.281 0.954 1.00 0.00 O ATOM 1666 CB TYR A1017 6.640 17.934 2.650 1.00 0.00 C ATOM 1667 CG TYR A1017 7.749 18.136 3.670 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.172 17.087 4.478 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.404 19.352 3.791 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.206 17.250 5.381 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.444 19.522 4.685 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.840 18.471 5.478 1.00 0.00 C ATOM 1673 OH TYR A1017 10.882 18.636 6.367 1.00 0.00 O ATOM 0 H TYR A1017 7.284 19.334 0.823 1.00 0.00 H new ATOM 0 HA TYR A1017 8.051 16.688 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.161 18.888 2.431 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.872 17.280 3.064 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.684 16.127 4.399 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.095 20.183 3.174 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.516 16.426 6.007 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.944 20.477 4.760 1.00 0.00 H new ATOM 0 HH TYR A1017 11.219 19.555 6.310 1.00 0.00 H new ATOM 1683 N LYS A1018 5.341 17.137 -0.142 1.00 0.00 N ATOM 1684 CA LYS A1018 4.204 16.543 -0.829 1.00 0.00 C ATOM 1685 C LYS A1018 4.682 15.731 -2.010 1.00 0.00 C ATOM 1686 O LYS A1018 4.090 14.718 -2.369 1.00 0.00 O ATOM 1687 CB LYS A1018 3.229 17.607 -1.326 1.00 0.00 C ATOM 1688 CG LYS A1018 1.969 17.035 -1.960 1.00 0.00 C ATOM 1689 CD LYS A1018 1.168 16.209 -0.964 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.057 15.583 -1.615 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.023 16.609 -2.098 1.00 0.00 N ATOM 0 H LYS A1018 5.480 18.122 -0.369 1.00 0.00 H new ATOM 0 HA LYS A1018 3.687 15.903 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.946 18.247 -0.490 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.736 18.240 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A1018 1.351 17.848 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A1018 2.240 16.414 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.801 15.425 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.856 16.842 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A1018 0.257 14.959 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.553 14.928 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -1.948 16.164 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.123 17.356 -1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -0.673 17.025 -2.985 1.00 0.00 H new ATOM 1705 N LYS A1019 5.749 16.194 -2.632 1.00 0.00 N ATOM 1706 CA LYS A1019 6.339 15.441 -3.722 1.00 0.00 C ATOM 1707 C LYS A1019 7.010 14.207 -3.152 1.00 0.00 C ATOM 1708 O LYS A1019 6.832 13.111 -3.665 1.00 0.00 O ATOM 1709 CB LYS A1019 7.304 16.295 -4.546 1.00 0.00 C ATOM 1710 CG LYS A1019 6.652 16.970 -5.746 1.00 0.00 C ATOM 1711 CD LYS A1019 5.367 17.691 -5.363 1.00 0.00 C ATOM 1712 CE LYS A1019 4.764 18.443 -6.543 1.00 0.00 C ATOM 1713 NZ LYS A1019 4.412 17.538 -7.668 1.00 0.00 N ATOM 0 H LYS A1019 6.218 17.071 -2.407 1.00 0.00 H new ATOM 0 HA LYS A1019 5.556 15.131 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A1019 7.739 17.059 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A1019 8.124 15.667 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A1019 7.350 17.682 -6.186 1.00 0.00 H new ATOM 0 HG3 LYS A1019 6.435 16.223 -6.509 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.644 16.968 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A1019 5.571 18.391 -4.553 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.871 18.975 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A1019 5.472 19.195 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 3.884 18.070 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 5.282 17.153 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.824 16.757 -7.314 1.00 0.00 H new ATOM 1727 N GLN A1020 7.743 14.386 -2.067 1.00 0.00 N ATOM 1728 CA GLN A1020 8.189 13.268 -1.242 1.00 0.00 C ATOM 1729 C GLN A1020 6.994 12.456 -0.739 1.00 0.00 C ATOM 1730 O GLN A1020 7.089 11.238 -0.600 1.00 0.00 O ATOM 1731 CB GLN A1020 9.001 13.785 -0.055 1.00 0.00 C ATOM 1732 CG GLN A1020 10.320 14.419 -0.457 1.00 0.00 C ATOM 1733 CD GLN A1020 11.106 14.929 0.732 1.00 0.00 C ATOM 1734 OE1 GLN A1020 10.899 16.187 1.086 1.00 0.00 O flip ATOM 1735 NE2 GLN A1020 11.895 14.196 1.327 1.00 0.00 N flip ATOM 0 H GLN A1020 8.046 15.301 -1.732 1.00 0.00 H new ATOM 0 HA GLN A1020 8.817 12.619 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A1020 8.406 14.517 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A1020 9.197 12.959 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A1020 10.920 13.688 -0.998 1.00 0.00 H new ATOM 0 HG3 GLN A1020 10.128 15.244 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A1020 12.025 13.232 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A1020 12.419 14.553 2.126 1.00 0.00 H new ATOM 1744 N MET A1021 5.874 13.121 -0.493 1.00 0.00 N ATOM 1745 CA MET A1021 4.672 12.449 -0.028 1.00 0.00 C ATOM 1746 C MET A1021 4.144 11.522 -1.096 1.00 0.00 C ATOM 1747 O MET A1021 3.936 10.344 -0.839 1.00 0.00 O ATOM 1748 CB MET A1021 3.599 13.469 0.378 1.00 0.00 C ATOM 1749 CG MET A1021 2.242 12.868 0.726 1.00 0.00 C ATOM 1750 SD MET A1021 1.227 12.545 -0.735 1.00 0.00 S ATOM 1751 CE MET A1021 -0.176 11.700 -0.017 1.00 0.00 C ATOM 0 H MET A1021 5.774 14.129 -0.609 1.00 0.00 H new ATOM 0 HA MET A1021 4.928 11.858 0.851 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.961 14.033 1.237 1.00 0.00 H new ATOM 0 HB3 MET A1021 3.467 14.180 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.391 11.937 1.273 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.708 13.547 1.391 1.00 0.00 H new ATOM 0 HE1 MET A1021 -1.033 11.784 -0.686 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.069 10.648 0.129 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.420 12.152 0.944 1.00 0.00 H new ATOM 1761 N LEU A1022 3.967 12.027 -2.312 1.00 0.00 N ATOM 1762 CA LEU A1022 3.376 11.204 -3.344 1.00 0.00 C ATOM 1763 C LEU A1022 4.436 10.288 -3.947 1.00 0.00 C ATOM 1764 O LEU A1022 4.122 9.397 -4.717 1.00 0.00 O ATOM 1765 CB LEU A1022 2.664 12.053 -4.415 1.00 0.00 C ATOM 1766 CG LEU A1022 3.227 11.935 -5.837 1.00 0.00 C ATOM 1767 CD1 LEU A1022 2.165 12.288 -6.864 1.00 0.00 C ATOM 1768 CD2 LEU A1022 4.444 12.834 -6.015 1.00 0.00 C ATOM 0 H LEU A1022 4.218 12.974 -2.596 1.00 0.00 H new ATOM 0 HA LEU A1022 2.605 10.580 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.611 11.771 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.708 13.099 -4.112 1.00 0.00 H new ATOM 0 HG LEU A1022 3.534 10.901 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.584 12.198 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.320 11.608 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.828 13.312 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.825 12.733 -7.031 1.00 0.00 H new ATOM 0 HD22 LEU A1022 4.160 13.871 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A1022 5.219 12.542 -5.306 1.00 0.00 H new ATOM 1780 N THR A1023 5.701 10.528 -3.594 1.00 0.00 N ATOM 1781 CA THR A1023 6.792 9.644 -3.995 1.00 0.00 C ATOM 1782 C THR A1023 6.864 8.450 -3.053 1.00 0.00 C ATOM 1783 O THR A1023 7.059 7.325 -3.491 1.00 0.00 O ATOM 1784 CB THR A1023 8.162 10.366 -4.023 1.00 0.00 C ATOM 1785 OG1 THR A1023 8.152 11.411 -5.005 1.00 0.00 O ATOM 1786 CG2 THR A1023 9.291 9.394 -4.338 1.00 0.00 C ATOM 0 H THR A1023 5.993 11.327 -3.032 1.00 0.00 H new ATOM 0 HA THR A1023 6.578 9.311 -5.010 1.00 0.00 H new ATOM 0 HB THR A1023 8.332 10.791 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.425 12.038 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A1023 10.240 9.930 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.324 8.616 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A1023 9.118 8.939 -5.313 1.00 0.00 H new ATOM 1794 N ALA A1024 6.687 8.696 -1.760 1.00 0.00 N ATOM 1795 CA ALA A1024 6.623 7.619 -0.789 1.00 0.00 C ATOM 1796 C ALA A1024 5.251 6.971 -0.828 1.00 0.00 C ATOM 1797 O ALA A1024 5.073 5.843 -0.396 1.00 0.00 O ATOM 1798 CB ALA A1024 6.942 8.130 0.608 1.00 0.00 C ATOM 0 H ALA A1024 6.586 9.631 -1.364 1.00 0.00 H new ATOM 0 HA ALA A1024 7.371 6.870 -1.046 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.888 7.305 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.946 8.554 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A1024 6.221 8.898 0.888 1.00 0.00 H new ATOM 1804 N ALA A1025 4.280 7.714 -1.326 1.00 0.00 N ATOM 1805 CA ALA A1025 2.967 7.171 -1.617 1.00 0.00 C ATOM 1806 C ALA A1025 2.951 6.547 -3.011 1.00 0.00 C ATOM 1807 O ALA A1025 2.108 5.706 -3.295 1.00 0.00 O ATOM 1808 CB ALA A1025 1.881 8.214 -1.448 1.00 0.00 C ATOM 0 H ALA A1025 4.379 8.707 -1.539 1.00 0.00 H new ATOM 0 HA ALA A1025 2.753 6.384 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.912 7.770 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.882 8.577 -0.420 1.00 0.00 H new ATOM 0 HB3 ALA A1025 2.067 9.046 -2.127 1.00 0.00 H new ATOM 1814 N HIS A1026 3.845 6.969 -3.894 1.00 0.00 N ATOM 1815 CA HIS A1026 4.109 6.188 -5.105 1.00 0.00 C ATOM 1816 C HIS A1026 4.963 4.978 -4.751 1.00 0.00 C ATOM 1817 O HIS A1026 4.906 3.971 -5.427 1.00 0.00 O ATOM 1818 CB HIS A1026 4.756 7.027 -6.217 1.00 0.00 C ATOM 1819 CG HIS A1026 5.060 6.258 -7.469 1.00 0.00 C ATOM 1820 ND1 HIS A1026 6.329 6.156 -7.997 1.00 0.00 N ATOM 1821 CD2 HIS A1026 4.252 5.558 -8.302 1.00 0.00 C ATOM 1822 CE1 HIS A1026 6.290 5.425 -9.094 1.00 0.00 C ATOM 1823 NE2 HIS A1026 5.043 5.050 -9.300 1.00 0.00 N ATOM 0 H HIS A1026 4.391 7.826 -3.804 1.00 0.00 H new ATOM 0 HA HIS A1026 3.153 5.849 -5.504 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.092 7.855 -6.465 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.681 7.462 -5.837 1.00 0.00 H new ATOM 0 HD2 HIS A1026 3.185 5.425 -8.199 1.00 0.00 H new ATOM 0 HE1 HIS A1026 7.136 5.176 -9.718 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.719 4.474 -10.077 1.00 0.00 H new ATOM 1832 N ALA A1027 5.732 5.083 -3.680 1.00 0.00 N ATOM 1833 CA ALA A1027 6.312 3.925 -3.003 1.00 0.00 C ATOM 1834 C ALA A1027 5.209 3.098 -2.380 1.00 0.00 C ATOM 1835 O ALA A1027 5.248 1.875 -2.444 1.00 0.00 O ATOM 1836 CB ALA A1027 7.293 4.380 -1.931 1.00 0.00 C ATOM 0 H ALA A1027 5.975 5.976 -3.250 1.00 0.00 H new ATOM 0 HA ALA A1027 6.849 3.317 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.718 3.508 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A1027 8.092 4.961 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.772 4.997 -1.199 1.00 0.00 H new ATOM 1842 N LEU A1028 4.219 3.744 -1.804 1.00 0.00 N ATOM 1843 CA LEU A1028 3.039 3.030 -1.370 1.00 0.00 C ATOM 1844 C LEU A1028 2.389 2.361 -2.571 1.00 0.00 C ATOM 1845 O LEU A1028 2.102 1.181 -2.536 1.00 0.00 O ATOM 1846 CB LEU A1028 2.054 3.962 -0.666 1.00 0.00 C ATOM 1847 CG LEU A1028 2.544 4.547 0.653 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.374 5.120 1.415 1.00 0.00 C ATOM 1849 CD2 LEU A1028 3.248 3.479 1.458 1.00 0.00 C ATOM 0 H LEU A1028 4.206 4.748 -1.627 1.00 0.00 H new ATOM 0 HA LEU A1028 3.333 2.268 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.810 4.783 -1.340 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.129 3.415 -0.481 1.00 0.00 H new ATOM 0 HG LEU A1028 3.256 5.349 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.724 5.539 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.903 5.904 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.649 4.331 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A1028 3.596 3.903 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.556 2.662 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A1028 4.100 3.101 0.894 1.00 0.00 H new ATOM 1861 N ALA A1029 2.192 3.112 -3.639 1.00 0.00 N ATOM 1862 CA ALA A1029 1.671 2.556 -4.881 1.00 0.00 C ATOM 1863 C ALA A1029 2.545 1.417 -5.400 1.00 0.00 C ATOM 1864 O ALA A1029 2.030 0.402 -5.866 1.00 0.00 O ATOM 1865 CB ALA A1029 1.551 3.647 -5.935 1.00 0.00 C ATOM 0 H ALA A1029 2.385 4.113 -3.674 1.00 0.00 H new ATOM 0 HA ALA A1029 0.683 2.147 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.161 3.219 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.873 4.423 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.533 4.081 -6.123 1.00 0.00 H new ATOM 1871 N VAL A1030 3.859 1.579 -5.312 1.00 0.00 N ATOM 1872 CA VAL A1030 4.781 0.593 -5.851 1.00 0.00 C ATOM 1873 C VAL A1030 4.782 -0.667 -5.000 1.00 0.00 C ATOM 1874 O VAL A1030 4.620 -1.779 -5.500 1.00 0.00 O ATOM 1875 CB VAL A1030 6.221 1.159 -5.920 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.252 0.040 -6.014 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.371 2.090 -7.112 1.00 0.00 C ATOM 0 H VAL A1030 4.308 2.383 -4.873 1.00 0.00 H new ATOM 0 HA VAL A1030 4.444 0.348 -6.858 1.00 0.00 H new ATOM 0 HB VAL A1030 6.398 1.717 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.252 0.470 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.174 -0.602 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.068 -0.550 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.389 2.478 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.162 1.542 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.669 2.919 -7.017 1.00 0.00 H new ATOM 1887 N ASP A1031 4.967 -0.468 -3.703 1.00 0.00 N ATOM 1888 CA ASP A1031 5.108 -1.569 -2.773 1.00 0.00 C ATOM 1889 C ASP A1031 3.769 -2.214 -2.450 1.00 0.00 C ATOM 1890 O ASP A1031 3.716 -3.393 -2.151 1.00 0.00 O ATOM 1891 CB ASP A1031 5.839 -1.120 -1.511 1.00 0.00 C ATOM 1892 CG ASP A1031 7.314 -0.880 -1.779 1.00 0.00 C ATOM 1893 OD1 ASP A1031 8.053 -1.865 -1.999 1.00 0.00 O ATOM 1894 OD2 ASP A1031 7.739 0.291 -1.806 1.00 0.00 O ATOM 0 H ASP A1031 5.023 0.455 -3.272 1.00 0.00 H new ATOM 0 HA ASP A1031 5.714 -2.335 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.383 -0.206 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.727 -1.878 -0.735 1.00 0.00 H new ATOM 1899 N ALA A1032 2.692 -1.441 -2.485 1.00 0.00 N ATOM 1900 CA ALA A1032 1.350 -2.008 -2.352 1.00 0.00 C ATOM 1901 C ALA A1032 0.992 -2.797 -3.604 1.00 0.00 C ATOM 1902 O ALA A1032 0.304 -3.814 -3.519 1.00 0.00 O ATOM 1903 CB ALA A1032 0.304 -0.948 -2.056 1.00 0.00 C ATOM 0 H ALA A1032 2.716 -0.428 -2.603 1.00 0.00 H new ATOM 0 HA ALA A1032 1.358 -2.684 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.675 -1.418 -1.966 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.551 -0.444 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.284 -0.220 -2.867 1.00 0.00 H new ATOM 1909 N LYS A1033 1.485 -2.358 -4.753 1.00 0.00 N ATOM 1910 CA LYS A1033 1.404 -3.159 -5.967 1.00 0.00 C ATOM 1911 C LYS A1033 2.194 -4.447 -5.776 1.00 0.00 C ATOM 1912 O LYS A1033 1.737 -5.542 -6.103 1.00 0.00 O ATOM 1913 CB LYS A1033 1.991 -2.394 -7.154 1.00 0.00 C ATOM 1914 CG LYS A1033 1.953 -3.181 -8.452 1.00 0.00 C ATOM 1915 CD LYS A1033 2.732 -2.490 -9.553 1.00 0.00 C ATOM 1916 CE LYS A1033 2.722 -3.310 -10.831 1.00 0.00 C ATOM 1917 NZ LYS A1033 3.299 -4.665 -10.627 1.00 0.00 N ATOM 0 H LYS A1033 1.944 -1.455 -4.871 1.00 0.00 H new ATOM 0 HA LYS A1033 0.356 -3.383 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.440 -1.462 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.023 -2.125 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.365 -4.176 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A1033 0.918 -3.313 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A1033 2.301 -1.507 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.760 -2.330 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A1033 1.699 -3.403 -11.194 1.00 0.00 H new ATOM 0 HE3 LYS A1033 3.288 -2.787 -11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.540 -5.082 -11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 4.157 -4.593 -10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 2.603 -5.270 -10.145 1.00 0.00 H new ATOM 1931 N ASN A1034 3.391 -4.279 -5.229 1.00 0.00 N ATOM 1932 CA ASN A1034 4.333 -5.369 -5.031 1.00 0.00 C ATOM 1933 C ASN A1034 3.843 -6.353 -3.980 1.00 0.00 C ATOM 1934 O ASN A1034 3.821 -7.546 -4.223 1.00 0.00 O ATOM 1935 CB ASN A1034 5.691 -4.815 -4.597 1.00 0.00 C ATOM 1936 CG ASN A1034 6.752 -5.892 -4.458 1.00 0.00 C ATOM 1937 OD1 ASN A1034 6.775 -6.866 -5.209 1.00 0.00 O ATOM 1938 ND2 ASN A1034 7.645 -5.723 -3.496 1.00 0.00 N ATOM 0 H ASN A1034 3.737 -3.375 -4.908 1.00 0.00 H new ATOM 0 HA ASN A1034 4.426 -5.895 -5.981 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.025 -4.075 -5.324 1.00 0.00 H new ATOM 0 HB3 ASN A1034 5.579 -4.298 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.383 -6.413 -3.359 1.00 0.00 H new ATOM 0 HD22 ASN A1034 7.595 -4.903 -2.892 1.00 0.00 H new ATOM 1945 N LEU A1035 3.446 -5.853 -2.819 1.00 0.00 N ATOM 1946 CA LEU A1035 3.125 -6.715 -1.694 1.00 0.00 C ATOM 1947 C LEU A1035 1.942 -7.627 -2.021 1.00 0.00 C ATOM 1948 O LEU A1035 1.969 -8.799 -1.647 1.00 0.00 O ATOM 1949 CB LEU A1035 2.889 -5.910 -0.410 1.00 0.00 C ATOM 1950 CG LEU A1035 1.522 -5.239 -0.268 1.00 0.00 C ATOM 1951 CD1 LEU A1035 0.533 -6.155 0.440 1.00 0.00 C ATOM 1952 CD2 LEU A1035 1.663 -3.936 0.483 1.00 0.00 C ATOM 0 H LEU A1035 3.339 -4.856 -2.633 1.00 0.00 H new ATOM 0 HA LEU A1035 3.989 -7.353 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A1035 3.033 -6.575 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A1035 3.656 -5.139 -0.345 1.00 0.00 H new ATOM 0 HG LEU A1035 1.134 -5.035 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A1035 -0.430 -5.652 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A1035 0.412 -7.073 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.908 -6.396 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A1035 0.685 -3.464 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.072 -4.130 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A1035 2.334 -3.272 -0.063 1.00 0.00 H new ATOM 1964 N LEU A1036 0.895 -7.131 -2.701 1.00 0.00 N ATOM 1965 CA LEU A1036 -0.183 -8.042 -3.036 1.00 0.00 C ATOM 1966 C LEU A1036 0.319 -9.085 -4.027 1.00 0.00 C ATOM 1967 O LEU A1036 0.028 -10.270 -3.915 1.00 0.00 O ATOM 1968 CB LEU A1036 -1.401 -7.289 -3.573 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.226 -6.558 -4.912 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.609 -7.455 -6.083 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -2.053 -5.284 -4.933 1.00 0.00 C ATOM 0 H LEU A1036 0.783 -6.165 -3.008 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.508 -8.554 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -2.221 -8.000 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.706 -6.558 -2.824 1.00 0.00 H new ATOM 0 HG LEU A1036 -0.173 -6.296 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.475 -6.910 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.974 -8.341 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.652 -7.756 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.918 -4.778 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.106 -5.532 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.730 -4.627 -4.126 1.00 0.00 H new ATOM 1983 N ASP A1037 1.095 -8.588 -4.990 1.00 0.00 N ATOM 1984 CA ASP A1037 1.764 -9.401 -5.995 1.00 0.00 C ATOM 1985 C ASP A1037 2.603 -10.474 -5.325 1.00 0.00 C ATOM 1986 O ASP A1037 2.690 -11.595 -5.787 1.00 0.00 O ATOM 1987 CB ASP A1037 2.669 -8.492 -6.828 1.00 0.00 C ATOM 1988 CG ASP A1037 3.335 -9.199 -7.987 1.00 0.00 C ATOM 1989 OD1 ASP A1037 2.702 -9.332 -9.051 1.00 0.00 O ATOM 1990 OD2 ASP A1037 4.508 -9.588 -7.853 1.00 0.00 O ATOM 0 H ASP A1037 1.277 -7.590 -5.092 1.00 0.00 H new ATOM 0 HA ASP A1037 1.022 -9.884 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.080 -7.659 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.438 -8.068 -6.182 1.00 0.00 H new ATOM 1995 N VAL A1038 3.219 -10.079 -4.224 1.00 0.00 N ATOM 1996 CA VAL A1038 4.026 -10.951 -3.384 1.00 0.00 C ATOM 1997 C VAL A1038 3.205 -12.068 -2.750 1.00 0.00 C ATOM 1998 O VAL A1038 3.707 -13.169 -2.617 1.00 0.00 O ATOM 1999 CB VAL A1038 4.766 -10.127 -2.294 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.309 -11.014 -1.184 1.00 0.00 C ATOM 2001 CG2 VAL A1038 5.903 -9.331 -2.913 1.00 0.00 C ATOM 0 H VAL A1038 3.171 -9.120 -3.880 1.00 0.00 H new ATOM 0 HA VAL A1038 4.764 -11.426 -4.030 1.00 0.00 H new ATOM 0 HB VAL A1038 4.038 -9.445 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.819 -10.398 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.486 -11.547 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.012 -11.733 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.412 -8.759 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.611 -10.013 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.503 -8.649 -3.663 1.00 0.00 H new ATOM 2011 N ILE A1039 1.964 -11.813 -2.361 1.00 0.00 N ATOM 2012 CA ILE A1039 1.130 -12.872 -1.801 1.00 0.00 C ATOM 2013 C ILE A1039 0.412 -13.637 -2.895 1.00 0.00 C ATOM 2014 O ILE A1039 0.191 -14.845 -2.785 1.00 0.00 O ATOM 2015 CB ILE A1039 0.142 -12.348 -0.733 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.868 -12.243 0.600 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.085 -13.241 -0.596 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.831 -11.082 0.688 1.00 0.00 C ATOM 0 H ILE A1039 1.516 -10.899 -2.420 1.00 0.00 H new ATOM 0 HA ILE A1039 1.799 -13.564 -1.289 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.214 -11.367 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.130 -12.150 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.415 -13.169 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.749 -12.832 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.611 -13.286 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.774 -14.245 -0.306 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.307 -11.078 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.593 -11.182 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.289 -10.148 0.544 1.00 0.00 H new ATOM 2030 N ASP A1040 0.081 -12.952 -3.958 1.00 0.00 N ATOM 2031 CA ASP A1040 -0.401 -13.616 -5.145 1.00 0.00 C ATOM 2032 C ASP A1040 0.703 -14.528 -5.698 1.00 0.00 C ATOM 2033 O ASP A1040 0.455 -15.680 -6.077 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.887 -12.572 -6.156 1.00 0.00 C ATOM 2035 CG ASP A1040 -2.351 -12.232 -5.952 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -3.188 -13.162 -6.021 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -2.673 -11.054 -5.704 1.00 0.00 O ATOM 0 H ASP A1040 0.135 -11.936 -4.028 1.00 0.00 H new ATOM 0 HA ASP A1040 -1.256 -14.252 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -0.287 -11.667 -6.062 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -0.739 -12.949 -7.168 1.00 0.00 H new ATOM 2042 N GLN A1041 1.931 -14.034 -5.682 1.00 0.00 N ATOM 2043 CA GLN A1041 3.094 -14.854 -5.976 1.00 0.00 C ATOM 2044 C GLN A1041 3.303 -15.874 -4.874 1.00 0.00 C ATOM 2045 O GLN A1041 3.630 -17.015 -5.148 1.00 0.00 O ATOM 2046 CB GLN A1041 4.357 -14.000 -6.098 1.00 0.00 C ATOM 2047 CG GLN A1041 4.726 -13.610 -7.516 1.00 0.00 C ATOM 2048 CD GLN A1041 6.101 -12.974 -7.587 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.109 -13.668 -7.717 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.159 -11.655 -7.505 1.00 0.00 N ATOM 0 H GLN A1041 2.148 -13.061 -5.467 1.00 0.00 H new ATOM 0 HA GLN A1041 2.912 -15.357 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.223 -13.092 -5.510 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.191 -14.545 -5.657 1.00 0.00 H new ATOM 0 HG2 GLN A1041 4.701 -14.494 -8.154 1.00 0.00 H new ATOM 0 HG3 GLN A1041 3.983 -12.914 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.302 -11.113 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.061 -11.180 -7.549 1.00 0.00 H new ATOM 2059 N ALA A1042 3.082 -15.451 -3.629 1.00 0.00 N ATOM 2060 CA ALA A1042 3.303 -16.282 -2.459 1.00 0.00 C ATOM 2061 C ALA A1042 2.537 -17.556 -2.563 1.00 0.00 C ATOM 2062 O ALA A1042 3.078 -18.638 -2.374 1.00 0.00 O ATOM 2063 CB ALA A1042 2.838 -15.561 -1.212 1.00 0.00 C ATOM 0 H ALA A1042 2.742 -14.515 -3.409 1.00 0.00 H new ATOM 0 HA ALA A1042 4.371 -16.494 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.009 -16.194 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.396 -14.631 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.774 -15.338 -1.296 1.00 0.00 H new ATOM 2069 N ARG A1043 1.268 -17.421 -2.894 1.00 0.00 N ATOM 2070 CA ARG A1043 0.391 -18.552 -2.905 1.00 0.00 C ATOM 2071 C ARG A1043 0.839 -19.526 -3.976 1.00 0.00 C ATOM 2072 O ARG A1043 0.750 -20.730 -3.800 1.00 0.00 O ATOM 2073 CB ARG A1043 -1.065 -18.112 -3.111 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.302 -17.262 -4.354 1.00 0.00 C ATOM 2075 CD ARG A1043 -1.469 -18.098 -5.615 1.00 0.00 C ATOM 2076 NE ARG A1043 -2.448 -19.168 -5.427 1.00 0.00 N ATOM 2077 CZ ARG A1043 -2.697 -20.127 -6.320 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -2.118 -20.102 -7.516 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -3.548 -21.102 -6.024 1.00 0.00 N ATOM 0 H ARG A1043 0.831 -16.537 -3.157 1.00 0.00 H new ATOM 0 HA ARG A1043 0.438 -19.055 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.694 -19.000 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -1.388 -17.549 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -2.193 -16.652 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -0.465 -16.577 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -1.784 -17.457 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -0.508 -18.529 -5.896 1.00 0.00 H new ATOM 0 HE ARG A1043 -2.976 -19.182 -4.554 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.478 -19.345 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -2.314 -20.839 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.010 -21.117 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.740 -21.836 -6.706 1.00 0.00 H new ATOM 2093 N LEU A1044 1.349 -18.992 -5.083 1.00 0.00 N ATOM 2094 CA LEU A1044 1.812 -19.841 -6.163 1.00 0.00 C ATOM 2095 C LEU A1044 3.191 -20.425 -5.822 1.00 0.00 C ATOM 2096 O LEU A1044 3.440 -21.622 -5.974 1.00 0.00 O ATOM 2097 CB LEU A1044 1.859 -19.050 -7.479 1.00 0.00 C ATOM 2098 CG LEU A1044 2.129 -19.869 -8.755 1.00 0.00 C ATOM 2099 CD1 LEU A1044 3.618 -20.131 -8.948 1.00 0.00 C ATOM 2100 CD2 LEU A1044 1.360 -21.185 -8.721 1.00 0.00 C ATOM 0 H LEU A1044 1.449 -17.991 -5.249 1.00 0.00 H new ATOM 0 HA LEU A1044 1.113 -20.668 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A1044 0.909 -18.530 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.632 -18.286 -7.392 1.00 0.00 H new ATOM 0 HG LEU A1044 1.781 -19.280 -9.603 1.00 0.00 H new ATOM 0 HD11 LEU A1044 3.770 -20.711 -9.858 1.00 0.00 H new ATOM 0 HD12 LEU A1044 4.147 -19.181 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A1044 4.003 -20.688 -8.094 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.564 -21.749 -9.631 1.00 0.00 H new ATOM 0 HD22 LEU A1044 1.674 -21.768 -7.855 1.00 0.00 H new ATOM 0 HD23 LEU A1044 0.292 -20.980 -8.653 1.00 0.00 H new