USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=28 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 -136:sc= -4.01 (180deg=-7.81!) USER MOD Set 1.2: A1018 LYS NZ :NH3+ -162:sc= 1.67 (180deg=1.4) USER MOD Set 2.1: A 928 ASN : amide:sc= -3.99! C(o=-2.7!,f=-6.4!) USER MOD Set 2.2: A 968 THR OG1 : rot 152:sc= 1.25 USER MOD Set 3.1: A 954 MET CE :methyl 157:sc= -0.36 (180deg=-0.651) USER MOD Set 3.2: A1021 MET CE :methyl 161:sc= -0.112 (180deg=-1.24) USER MOD Single : A 924 LYS NZ :NH3+ 164:sc= -0.075 (180deg=-0.475) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 46:sc= 0.468 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot -54:sc= 1.25 USER MOD Single : A 951 TYR OH : rot 30:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ -167:sc= 1.07 (180deg=0.538) USER MOD Single : A 964 THR OG1 : rot 98:sc= 1.19 USER MOD Single : A 972 SER OG : rot 78:sc= 1.34 USER MOD Single : A 980 THR OG1 : rot 28:sc= 0.203 USER MOD Single : A 981 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.38) USER MOD Single : A 986 MET CE :methyl -163:sc= -0.0813 (180deg=-0.489) USER MOD Single : A 988 GLN :FLIP amide:sc= -0.842 F(o=-6.6!,f=-0.84) 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=-0.094) USER MOD Single : A 993 SER OG : rot 180:sc= 0.0339 USER MOD Single : A1000 ASN : amide:sc= 1.16 K(o=1.2,f=-0.14) USER MOD Single : A1001 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.06) USER MOD Single : A1003 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A1006 GLN : amide:sc= 0.596 K(o=0.6,f=-1.3) USER MOD Single : A1007 GLN : amide:sc= -2.34! C(o=-2.3!,f=-3.4!) 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 180:sc= -0.402 USER MOD Single : A1012 SER OG : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -0.19 F(o=-1.2!,f=-0.19) USER MOD Single : A1015 GLN : amide:sc= -0.142 K(o=-0.14,f=-3.9!) USER MOD Single : A1017 TYR OH : rot 180:sc= -0.511 USER MOD Single : A1019 LYS NZ :NH3+ 170:sc=-0.00335 (180deg=-0.119) USER MOD Single : A1020 GLN :FLIP amide:sc= -0.0295 F(o=-0.72,f=-0.03) USER MOD Single : A1023 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A1026 HIS : no HD1:sc=-0.000175 X(o=-0.00017,f=-0.0042) USER MOD Single : A1033 LYS NZ :NH3+ -161:sc= 0.916 (180deg=0.715) USER MOD Single : A1034 ASN : amide:sc= 1.02 K(o=1,f=-0.28) USER MOD Single : A1041 GLN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.721 -8.952 -3.287 1.00 0.00 N ATOM 180 CA LYS A 924 -9.141 -7.750 -2.576 1.00 0.00 C ATOM 181 C LYS A 924 -7.955 -6.865 -2.216 1.00 0.00 C ATOM 182 O LYS A 924 -8.107 -5.651 -2.136 1.00 0.00 O ATOM 183 CB LYS A 924 -9.853 -8.135 -1.292 1.00 0.00 C ATOM 184 CG LYS A 924 -11.135 -8.914 -1.494 1.00 0.00 C ATOM 185 CD LYS A 924 -12.229 -8.047 -2.095 1.00 0.00 C ATOM 186 CE LYS A 924 -13.524 -8.827 -2.247 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.949 -9.451 -0.965 1.00 0.00 N ATOM 0 HA LYS A 924 -9.807 -7.197 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -9.175 -8.729 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -10.078 -7.228 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -10.945 -9.765 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -11.472 -9.315 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -12.397 -7.177 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.909 -7.675 -3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -14.309 -8.161 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.395 -9.602 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.947 -9.737 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -13.361 -10.287 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.837 -8.765 -0.191 1.00 0.00 H new ATOM 201 N VAL A 925 -6.777 -7.454 -2.038 1.00 0.00 N ATOM 202 CA VAL A 925 -5.571 -6.668 -1.779 1.00 0.00 C ATOM 203 C VAL A 925 -5.359 -5.629 -2.885 1.00 0.00 C ATOM 204 O VAL A 925 -4.891 -4.529 -2.634 1.00 0.00 O ATOM 205 CB VAL A 925 -4.316 -7.563 -1.643 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.385 -8.381 -0.369 1.00 0.00 C ATOM 207 CG2 VAL A 925 -4.176 -8.487 -2.845 1.00 0.00 C ATOM 0 H VAL A 925 -6.630 -8.463 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 925 -5.717 -6.155 -0.828 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.442 -6.913 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.495 -9.005 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.438 -7.712 0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.272 -9.015 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.287 -9.106 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.056 -9.126 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.085 -7.891 -3.753 1.00 0.00 H new ATOM 217 N TYR A 926 -5.775 -5.973 -4.092 1.00 0.00 N ATOM 218 CA TYR A 926 -5.702 -5.075 -5.243 1.00 0.00 C ATOM 219 C TYR A 926 -6.807 -4.061 -5.192 1.00 0.00 C ATOM 220 O TYR A 926 -6.617 -2.928 -5.626 1.00 0.00 O ATOM 221 CB TYR A 926 -5.740 -5.860 -6.569 1.00 0.00 C ATOM 222 CG TYR A 926 -6.976 -5.589 -7.392 1.00 0.00 C ATOM 223 CD1 TYR A 926 -8.162 -6.251 -7.128 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.962 -4.642 -8.404 1.00 0.00 C ATOM 225 CE1 TYR A 926 -9.304 -5.981 -7.838 1.00 0.00 C ATOM 226 CE2 TYR A 926 -8.098 -4.365 -9.127 1.00 0.00 C ATOM 227 CZ TYR A 926 -9.272 -5.036 -8.842 1.00 0.00 C ATOM 228 OH TYR A 926 -10.412 -4.759 -9.559 1.00 0.00 O ATOM 0 H TYR A 926 -6.175 -6.886 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.749 -4.548 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -4.858 -5.607 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -5.684 -6.927 -6.353 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -8.189 -6.996 -6.346 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.046 -4.115 -8.628 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -10.221 -6.504 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -8.073 -3.626 -9.914 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.218 -4.069 -10.228 1.00 0.00 H new ATOM 238 N GLU A 927 -7.943 -4.418 -4.670 1.00 0.00 N ATOM 239 CA GLU A 927 -8.990 -3.438 -4.584 1.00 0.00 C ATOM 240 C GLU A 927 -8.778 -2.464 -3.439 1.00 0.00 C ATOM 241 O GLU A 927 -9.263 -1.332 -3.499 1.00 0.00 O ATOM 242 CB GLU A 927 -10.373 -4.032 -4.603 1.00 0.00 C ATOM 243 CG GLU A 927 -11.151 -3.368 -5.690 1.00 0.00 C ATOM 244 CD GLU A 927 -12.648 -3.524 -5.556 1.00 0.00 C ATOM 245 OE1 GLU A 927 -13.249 -2.849 -4.695 1.00 0.00 O ATOM 246 OE2 GLU A 927 -13.236 -4.311 -6.329 1.00 0.00 O ATOM 0 H GLU A 927 -8.167 -5.345 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.922 -2.853 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.323 -5.107 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.863 -3.885 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.906 -2.306 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.838 -3.778 -6.650 1.00 0.00 H new ATOM 253 N ASN A 928 -8.037 -2.851 -2.423 1.00 0.00 N ATOM 254 CA ASN A 928 -7.656 -1.903 -1.388 1.00 0.00 C ATOM 255 C ASN A 928 -6.604 -0.947 -1.956 1.00 0.00 C ATOM 256 O ASN A 928 -6.523 0.224 -1.586 1.00 0.00 O ATOM 257 CB ASN A 928 -7.107 -2.635 -0.163 1.00 0.00 C ATOM 258 CG ASN A 928 -7.905 -3.876 0.204 1.00 0.00 C ATOM 259 OD1 ASN A 928 -7.337 -4.867 0.653 1.00 0.00 O ATOM 260 ND2 ASN A 928 -9.220 -3.843 0.028 1.00 0.00 N ATOM 0 H ASN A 928 -7.689 -3.800 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.533 -1.337 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.072 -2.920 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.099 -1.952 0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.787 -4.656 0.268 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -9.663 -3.005 -0.347 1.00 0.00 H new ATOM 267 N VAL A 929 -5.827 -1.473 -2.896 1.00 0.00 N ATOM 268 CA VAL A 929 -4.800 -0.721 -3.620 1.00 0.00 C ATOM 269 C VAL A 929 -5.434 0.114 -4.723 1.00 0.00 C ATOM 270 O VAL A 929 -4.899 1.173 -5.063 1.00 0.00 O ATOM 271 CB VAL A 929 -3.704 -1.636 -4.221 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.719 -0.842 -5.059 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.968 -2.385 -3.126 1.00 0.00 C ATOM 0 H VAL A 929 -5.891 -2.449 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.317 -0.068 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.200 -2.358 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.963 -1.514 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.248 -0.353 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.237 -0.088 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.203 -3.021 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.498 -1.671 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.674 -3.001 -2.569 1.00 0.00 H new ATOM 283 N THR A 930 -6.552 -0.300 -5.274 1.00 0.00 N ATOM 284 CA THR A 930 -7.279 0.582 -6.168 1.00 0.00 C ATOM 285 C THR A 930 -7.616 1.875 -5.419 1.00 0.00 C ATOM 286 O THR A 930 -7.343 2.974 -5.888 1.00 0.00 O ATOM 287 CB THR A 930 -8.573 -0.075 -6.687 1.00 0.00 C ATOM 288 OG1 THR A 930 -8.270 -1.334 -7.311 1.00 0.00 O ATOM 289 CG2 THR A 930 -9.285 0.832 -7.682 1.00 0.00 C ATOM 0 H THR A 930 -6.973 -1.218 -5.127 1.00 0.00 H new ATOM 0 HA THR A 930 -6.650 0.796 -7.033 1.00 0.00 H new ATOM 0 HB THR A 930 -9.234 -0.240 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.649 -1.839 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.195 0.344 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.542 1.774 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 930 -8.629 1.028 -8.530 1.00 0.00 H new ATOM 297 N GLY A 931 -8.169 1.712 -4.226 1.00 0.00 N ATOM 298 CA GLY A 931 -8.490 2.853 -3.387 1.00 0.00 C ATOM 299 C GLY A 931 -7.264 3.645 -2.944 1.00 0.00 C ATOM 300 O GLY A 931 -7.215 4.864 -3.118 1.00 0.00 O ATOM 0 H GLY A 931 -8.403 0.806 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -9.164 3.515 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -9.027 2.506 -2.504 1.00 0.00 H new ATOM 304 N LEU A 932 -6.270 2.955 -2.387 1.00 0.00 N ATOM 305 CA LEU A 932 -5.080 3.619 -1.842 1.00 0.00 C ATOM 306 C LEU A 932 -4.288 4.390 -2.910 1.00 0.00 C ATOM 307 O LEU A 932 -3.950 5.557 -2.713 1.00 0.00 O ATOM 308 CB LEU A 932 -4.189 2.587 -1.107 1.00 0.00 C ATOM 309 CG LEU A 932 -3.004 1.977 -1.864 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.777 2.882 -1.787 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.678 0.608 -1.294 1.00 0.00 C ATOM 0 H LEU A 932 -6.262 1.939 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.419 4.367 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.798 3.066 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.830 1.769 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.284 1.875 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.952 2.424 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.011 3.851 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.491 3.019 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -1.835 0.180 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.420 0.705 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.545 -0.045 -1.397 1.00 0.00 H new ATOM 323 N VAL A 933 -4.003 3.744 -4.044 1.00 0.00 N ATOM 324 CA VAL A 933 -3.148 4.338 -5.074 1.00 0.00 C ATOM 325 C VAL A 933 -3.842 5.498 -5.772 1.00 0.00 C ATOM 326 O VAL A 933 -3.212 6.515 -6.098 1.00 0.00 O ATOM 327 CB VAL A 933 -2.718 3.292 -6.126 1.00 0.00 C ATOM 328 CG1 VAL A 933 -2.030 3.948 -7.314 1.00 0.00 C ATOM 329 CG2 VAL A 933 -1.793 2.266 -5.499 1.00 0.00 C ATOM 0 H VAL A 933 -4.351 2.812 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.260 4.712 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.619 2.795 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.741 3.183 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.714 4.652 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.142 4.479 -6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.497 1.535 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -0.906 2.766 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.310 1.759 -4.684 1.00 0.00 H new ATOM 339 N LYS A 934 -5.136 5.344 -5.998 1.00 0.00 N ATOM 340 CA LYS A 934 -5.914 6.390 -6.643 1.00 0.00 C ATOM 341 C LYS A 934 -5.844 7.682 -5.836 1.00 0.00 C ATOM 342 O LYS A 934 -5.764 8.768 -6.402 1.00 0.00 O ATOM 343 CB LYS A 934 -7.364 5.947 -6.833 1.00 0.00 C ATOM 344 CG LYS A 934 -7.690 5.415 -8.227 1.00 0.00 C ATOM 345 CD LYS A 934 -6.927 4.141 -8.561 1.00 0.00 C ATOM 346 CE LYS A 934 -5.613 4.422 -9.276 1.00 0.00 C ATOM 347 NZ LYS A 934 -4.949 3.164 -9.711 1.00 0.00 N ATOM 0 H LYS A 934 -5.668 4.511 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.487 6.578 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.592 5.173 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -8.019 6.791 -6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.760 5.222 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -7.455 6.179 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -6.727 3.589 -7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -7.549 3.502 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -5.798 5.056 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -4.948 4.975 -8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -4.057 3.392 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -4.751 2.571 -8.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -5.574 2.649 -10.363 1.00 0.00 H new ATOM 361 N ALA A 935 -5.839 7.558 -4.515 1.00 0.00 N ATOM 362 CA ALA A 935 -5.720 8.722 -3.647 1.00 0.00 C ATOM 363 C ALA A 935 -4.371 9.413 -3.837 1.00 0.00 C ATOM 364 O ALA A 935 -4.300 10.639 -3.901 1.00 0.00 O ATOM 365 CB ALA A 935 -5.910 8.327 -2.190 1.00 0.00 C ATOM 0 H ALA A 935 -5.916 6.668 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.505 9.426 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.817 9.211 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.899 7.889 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.150 7.598 -1.908 1.00 0.00 H new ATOM 371 N VAL A 936 -3.314 8.609 -3.946 1.00 0.00 N ATOM 372 CA VAL A 936 -1.943 9.109 -4.093 1.00 0.00 C ATOM 373 C VAL A 936 -1.841 10.198 -5.157 1.00 0.00 C ATOM 374 O VAL A 936 -1.633 11.363 -4.838 1.00 0.00 O ATOM 375 CB VAL A 936 -0.978 7.962 -4.465 1.00 0.00 C ATOM 376 CG1 VAL A 936 0.430 8.485 -4.703 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.987 6.886 -3.391 1.00 0.00 C ATOM 0 H VAL A 936 -3.382 7.591 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 936 -1.663 9.534 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 936 -1.326 7.516 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 936 1.087 7.655 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 936 0.417 9.207 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 936 0.797 8.968 -3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.301 6.087 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -0.672 7.318 -2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -1.994 6.481 -3.290 1.00 0.00 H new ATOM 387 N ILE A 937 -2.004 9.810 -6.407 1.00 0.00 N ATOM 388 CA ILE A 937 -1.856 10.727 -7.536 1.00 0.00 C ATOM 389 C ILE A 937 -3.013 11.726 -7.635 1.00 0.00 C ATOM 390 O ILE A 937 -2.799 12.919 -7.907 1.00 0.00 O ATOM 391 CB ILE A 937 -1.726 9.952 -8.866 1.00 0.00 C ATOM 392 CG1 ILE A 937 -2.903 8.985 -9.052 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.402 9.201 -8.904 1.00 0.00 C ATOM 394 CD1 ILE A 937 -2.871 8.229 -10.364 1.00 0.00 C ATOM 0 H ILE A 937 -2.242 8.855 -6.675 1.00 0.00 H new ATOM 0 HA ILE A 937 -0.941 11.292 -7.354 1.00 0.00 H new ATOM 0 HB ILE A 937 -1.747 10.667 -9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -2.906 8.269 -8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -3.835 9.546 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.319 8.657 -9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 937 0.421 9.911 -8.821 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.359 8.497 -8.073 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.734 7.566 -10.423 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -2.900 8.937 -11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -1.956 7.640 -10.422 1.00 0.00 H new ATOM 406 N GLU A 938 -4.219 11.282 -7.386 1.00 0.00 N ATOM 407 CA GLU A 938 -5.369 12.148 -7.613 1.00 0.00 C ATOM 408 C GLU A 938 -5.453 13.245 -6.562 1.00 0.00 C ATOM 409 O GLU A 938 -5.508 14.436 -6.892 1.00 0.00 O ATOM 410 CB GLU A 938 -6.666 11.349 -7.677 1.00 0.00 C ATOM 411 CG GLU A 938 -6.755 10.463 -8.908 1.00 0.00 C ATOM 412 CD GLU A 938 -8.138 9.892 -9.118 1.00 0.00 C ATOM 413 OE1 GLU A 938 -9.109 10.677 -9.115 1.00 0.00 O ATOM 414 OE2 GLU A 938 -8.264 8.668 -9.321 1.00 0.00 O ATOM 0 H GLU A 938 -4.437 10.350 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 938 -5.228 12.627 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.750 10.730 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.511 12.037 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -6.467 11.040 -9.787 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -6.040 9.646 -8.815 1.00 0.00 H new ATOM 421 N MET A 939 -5.412 12.865 -5.296 1.00 0.00 N ATOM 422 CA MET A 939 -5.507 13.849 -4.234 1.00 0.00 C ATOM 423 C MET A 939 -4.252 14.707 -4.221 1.00 0.00 C ATOM 424 O MET A 939 -4.275 15.846 -3.757 1.00 0.00 O ATOM 425 CB MET A 939 -5.735 13.204 -2.867 1.00 0.00 C ATOM 426 CG MET A 939 -7.173 12.767 -2.608 1.00 0.00 C ATOM 427 SD MET A 939 -7.774 11.548 -3.799 1.00 0.00 S ATOM 428 CE MET A 939 -9.406 11.205 -3.137 1.00 0.00 C ATOM 0 H MET A 939 -5.315 11.899 -4.983 1.00 0.00 H new ATOM 0 HA MET A 939 -6.376 14.476 -4.434 1.00 0.00 H new ATOM 0 HB2 MET A 939 -5.082 12.336 -2.775 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.438 13.910 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.243 12.349 -1.604 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.822 13.642 -2.635 1.00 0.00 H new ATOM 0 HE1 MET A 939 -9.906 10.467 -3.765 1.00 0.00 H new ATOM 0 HE2 MET A 939 -9.313 10.815 -2.123 1.00 0.00 H new ATOM 0 HE3 MET A 939 -9.992 12.124 -3.120 1.00 0.00 H new ATOM 438 N SER A 940 -3.154 14.144 -4.743 1.00 0.00 N ATOM 439 CA SER A 940 -1.881 14.846 -4.776 1.00 0.00 C ATOM 440 C SER A 940 -2.045 16.199 -5.448 1.00 0.00 C ATOM 441 O SER A 940 -1.447 17.187 -5.044 1.00 0.00 O ATOM 442 CB SER A 940 -0.823 14.042 -5.539 1.00 0.00 C ATOM 443 OG SER A 940 -0.890 14.265 -6.936 1.00 0.00 O ATOM 0 H SER A 940 -3.130 13.207 -5.145 1.00 0.00 H new ATOM 0 HA SER A 940 -1.552 14.978 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 940 0.169 14.312 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 940 -0.958 12.980 -5.335 1.00 0.00 H new ATOM 0 HG SER A 940 -1.799 14.082 -7.253 1.00 0.00 H new ATOM 600 N TYR A 951 -3.652 17.090 4.977 1.00 0.00 N ATOM 601 CA TYR A 951 -2.998 15.824 4.634 1.00 0.00 C ATOM 602 C TYR A 951 -3.402 14.630 5.516 1.00 0.00 C ATOM 603 O TYR A 951 -3.706 13.569 4.994 1.00 0.00 O ATOM 604 CB TYR A 951 -1.486 16.039 4.560 1.00 0.00 C ATOM 605 CG TYR A 951 -1.139 17.065 3.496 1.00 0.00 C ATOM 606 CD1 TYR A 951 -1.848 17.099 2.305 1.00 0.00 C ATOM 607 CD2 TYR A 951 -0.164 18.033 3.694 1.00 0.00 C ATOM 608 CE1 TYR A 951 -1.585 18.052 1.342 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.094 18.995 2.733 1.00 0.00 C ATOM 610 CZ TYR A 951 -0.620 19.001 1.564 1.00 0.00 C ATOM 611 OH TYR A 951 -0.363 19.960 0.614 1.00 0.00 O ATOM 0 HA TYR A 951 -3.361 15.528 3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -1.114 16.373 5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.990 15.094 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.621 16.366 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.403 18.036 4.613 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.138 18.050 0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.857 19.740 2.905 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.182 20.148 0.109 1.00 0.00 H new ATOM 621 N VAL A 952 -3.421 14.803 6.826 1.00 0.00 N ATOM 622 CA VAL A 952 -3.919 13.792 7.750 1.00 0.00 C ATOM 623 C VAL A 952 -5.312 13.282 7.339 1.00 0.00 C ATOM 624 O VAL A 952 -5.574 12.085 7.420 1.00 0.00 O ATOM 625 CB VAL A 952 -3.967 14.334 9.197 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.404 13.251 10.175 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.613 14.899 9.594 1.00 0.00 C ATOM 0 H VAL A 952 -3.090 15.652 7.284 1.00 0.00 H new ATOM 0 HA VAL A 952 -3.222 12.955 7.709 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.705 15.135 9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.429 13.661 11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.398 12.895 9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.699 12.421 10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.662 15.277 10.615 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.859 14.114 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.346 15.712 8.919 1.00 0.00 H new ATOM 637 N PRO A 953 -6.247 14.170 6.930 1.00 0.00 N ATOM 638 CA PRO A 953 -7.533 13.742 6.366 1.00 0.00 C ATOM 639 C PRO A 953 -7.377 12.683 5.258 1.00 0.00 C ATOM 640 O PRO A 953 -8.106 11.695 5.211 1.00 0.00 O ATOM 641 CB PRO A 953 -8.095 15.057 5.824 1.00 0.00 C ATOM 642 CG PRO A 953 -7.627 16.049 6.813 1.00 0.00 C ATOM 643 CD PRO A 953 -6.211 15.639 7.107 1.00 0.00 C ATOM 0 HA PRO A 953 -8.178 13.251 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.719 15.275 4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -9.183 15.035 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.673 17.062 6.413 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -8.241 16.033 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.504 16.111 6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.912 15.917 8.118 1.00 0.00 H new ATOM 651 N MET A 954 -6.401 12.896 4.376 1.00 0.00 N ATOM 652 CA MET A 954 -6.082 11.938 3.317 1.00 0.00 C ATOM 653 C MET A 954 -5.311 10.749 3.884 1.00 0.00 C ATOM 654 O MET A 954 -5.409 9.635 3.378 1.00 0.00 O ATOM 655 CB MET A 954 -5.287 12.605 2.196 1.00 0.00 C ATOM 656 CG MET A 954 -4.802 11.626 1.135 1.00 0.00 C ATOM 657 SD MET A 954 -3.698 12.372 -0.083 1.00 0.00 S ATOM 658 CE MET A 954 -3.142 10.912 -0.955 1.00 0.00 C ATOM 0 H MET A 954 -5.813 13.730 4.374 1.00 0.00 H new ATOM 0 HA MET A 954 -7.020 11.575 2.897 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.908 13.365 1.722 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.427 13.119 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 954 -4.286 10.800 1.623 1.00 0.00 H new ATOM 0 HG3 MET A 954 -5.665 11.203 0.621 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.802 11.191 -1.952 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.320 10.452 -0.407 1.00 0.00 H new ATOM 0 HE3 MET A 954 -3.965 10.202 -1.038 1.00 0.00 H new ATOM 668 N VAL A 955 -4.528 11.001 4.928 1.00 0.00 N ATOM 669 CA VAL A 955 -3.943 9.920 5.730 1.00 0.00 C ATOM 670 C VAL A 955 -5.052 8.975 6.184 1.00 0.00 C ATOM 671 O VAL A 955 -4.862 7.762 6.257 1.00 0.00 O ATOM 672 CB VAL A 955 -3.191 10.452 6.979 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.755 9.312 7.889 1.00 0.00 C ATOM 674 CG2 VAL A 955 -1.987 11.280 6.576 1.00 0.00 C ATOM 0 H VAL A 955 -4.281 11.940 5.242 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.219 9.400 5.102 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.885 11.087 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -2.231 9.717 8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -3.632 8.757 8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -2.089 8.644 7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -1.478 11.641 7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.302 10.666 5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -2.314 12.130 5.977 1.00 0.00 H new ATOM 684 N LYS A 956 -6.212 9.536 6.474 1.00 0.00 N ATOM 685 CA LYS A 956 -7.395 8.745 6.769 1.00 0.00 C ATOM 686 C LYS A 956 -7.862 7.969 5.534 1.00 0.00 C ATOM 687 O LYS A 956 -8.300 6.827 5.643 1.00 0.00 O ATOM 688 CB LYS A 956 -8.505 9.663 7.310 1.00 0.00 C ATOM 689 CG LYS A 956 -9.901 9.057 7.306 1.00 0.00 C ATOM 690 CD LYS A 956 -10.628 9.330 5.996 1.00 0.00 C ATOM 691 CE LYS A 956 -11.938 8.563 5.921 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.681 8.846 4.667 1.00 0.00 N ATOM 0 H LYS A 956 -6.361 10.544 6.512 1.00 0.00 H new ATOM 0 HA LYS A 956 -7.148 8.008 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -8.253 9.950 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -8.521 10.577 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.831 7.981 7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -10.478 9.466 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.824 10.398 5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -9.990 9.048 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -11.736 7.494 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -12.560 8.824 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.653 8.485 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -12.706 9.873 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.206 8.379 3.869 1.00 0.00 H new ATOM 706 N GLU A 957 -7.732 8.581 4.360 1.00 0.00 N ATOM 707 CA GLU A 957 -8.249 7.992 3.123 1.00 0.00 C ATOM 708 C GLU A 957 -7.344 6.871 2.614 1.00 0.00 C ATOM 709 O GLU A 957 -7.811 5.778 2.292 1.00 0.00 O ATOM 710 CB GLU A 957 -8.373 9.066 2.038 1.00 0.00 C ATOM 711 CG GLU A 957 -9.347 10.179 2.380 1.00 0.00 C ATOM 712 CD GLU A 957 -10.794 9.731 2.342 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.068 8.548 2.634 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.669 10.570 2.047 1.00 0.00 O ATOM 0 H GLU A 957 -7.274 9.484 4.237 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.230 7.572 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.390 9.500 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -8.689 8.594 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.117 10.563 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.209 11.003 1.680 1.00 0.00 H new ATOM 721 N VAL A 958 -6.043 7.133 2.583 1.00 0.00 N ATOM 722 CA VAL A 958 -5.080 6.158 2.089 1.00 0.00 C ATOM 723 C VAL A 958 -4.683 5.207 3.204 1.00 0.00 C ATOM 724 O VAL A 958 -4.473 4.022 2.960 1.00 0.00 O ATOM 725 CB VAL A 958 -3.829 6.834 1.468 1.00 0.00 C ATOM 726 CG1 VAL A 958 -3.058 7.642 2.502 1.00 0.00 C ATOM 727 CG2 VAL A 958 -2.928 5.802 0.803 1.00 0.00 C ATOM 0 H VAL A 958 -5.631 8.013 2.894 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.561 5.591 1.292 1.00 0.00 H new ATOM 0 HB VAL A 958 -4.177 7.528 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.189 8.101 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.703 8.420 2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.730 6.984 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -2.058 6.300 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.601 5.073 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.480 5.293 0.013 1.00 0.00 H new ATOM 737 N GLY A 959 -4.637 5.710 4.433 1.00 0.00 N ATOM 738 CA GLY A 959 -4.351 4.855 5.565 1.00 0.00 C ATOM 739 C GLY A 959 -5.391 3.770 5.693 1.00 0.00 C ATOM 740 O GLY A 959 -5.062 2.609 5.914 1.00 0.00 O ATOM 0 H GLY A 959 -4.792 6.692 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.364 4.407 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.325 5.450 6.478 1.00 0.00 H new ATOM 744 N LEU A 960 -6.651 4.154 5.520 1.00 0.00 N ATOM 745 CA LEU A 960 -7.760 3.210 5.536 1.00 0.00 C ATOM 746 C LEU A 960 -7.641 2.218 4.383 1.00 0.00 C ATOM 747 O LEU A 960 -7.927 1.043 4.545 1.00 0.00 O ATOM 748 CB LEU A 960 -9.097 3.949 5.436 1.00 0.00 C ATOM 749 CG LEU A 960 -10.347 3.079 5.595 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.618 2.777 7.060 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.553 3.752 4.953 1.00 0.00 C ATOM 0 H LEU A 960 -6.930 5.123 5.366 1.00 0.00 H new ATOM 0 HA LEU A 960 -7.722 2.665 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.119 4.728 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.144 4.448 4.468 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.168 2.133 5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.511 2.158 7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -9.767 2.246 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -10.771 3.710 7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.432 3.119 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.730 4.715 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.362 3.905 3.891 1.00 0.00 H new ATOM 763 N ALA A 961 -7.173 2.681 3.237 1.00 0.00 N ATOM 764 CA ALA A 961 -7.130 1.854 2.043 1.00 0.00 C ATOM 765 C ALA A 961 -5.990 0.847 2.116 1.00 0.00 C ATOM 766 O ALA A 961 -6.135 -0.308 1.729 1.00 0.00 O ATOM 767 CB ALA A 961 -6.982 2.737 0.822 1.00 0.00 C ATOM 0 H ALA A 961 -6.816 3.628 3.108 1.00 0.00 H new ATOM 0 HA ALA A 961 -8.062 1.294 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.950 2.117 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.830 3.419 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -6.059 3.312 0.899 1.00 0.00 H new ATOM 773 N LEU A 962 -4.870 1.287 2.666 1.00 0.00 N ATOM 774 CA LEU A 962 -3.677 0.459 2.775 1.00 0.00 C ATOM 775 C LEU A 962 -3.710 -0.367 4.064 1.00 0.00 C ATOM 776 O LEU A 962 -3.019 -1.378 4.161 1.00 0.00 O ATOM 777 CB LEU A 962 -2.403 1.331 2.646 1.00 0.00 C ATOM 778 CG LEU A 962 -2.190 2.397 3.717 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.683 1.784 5.012 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.219 3.448 3.209 1.00 0.00 C ATOM 0 H LEU A 962 -4.761 2.226 3.049 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.655 -0.254 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.537 0.670 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.426 1.825 1.674 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.150 2.869 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.541 2.569 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.410 1.061 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.733 1.281 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.070 4.207 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.264 2.978 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -1.625 3.915 2.311 1.00 0.00 H new ATOM 792 N ARG A 963 -4.501 0.031 5.054 1.00 0.00 N ATOM 793 CA ARG A 963 -4.795 -0.885 6.156 1.00 0.00 C ATOM 794 C ARG A 963 -5.828 -1.925 5.731 1.00 0.00 C ATOM 795 O ARG A 963 -5.753 -3.073 6.157 1.00 0.00 O ATOM 796 CB ARG A 963 -5.300 -0.159 7.394 1.00 0.00 C ATOM 797 CG ARG A 963 -6.705 0.379 7.225 1.00 0.00 C ATOM 798 CD ARG A 963 -7.162 1.153 8.438 1.00 0.00 C ATOM 799 NE ARG A 963 -7.308 0.304 9.619 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.383 0.769 10.863 1.00 0.00 C ATOM 801 NH1 ARG A 963 -7.215 2.064 11.103 1.00 0.00 N ATOM 802 NH2 ARG A 963 -7.588 -0.071 11.869 1.00 0.00 N ATOM 0 H ARG A 963 -4.939 0.950 5.120 1.00 0.00 H new ATOM 0 HA ARG A 963 -3.855 -1.376 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.276 -0.840 8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.626 0.665 7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.743 1.024 6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.391 -0.448 7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -6.445 1.946 8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.115 1.635 8.220 1.00 0.00 H new ATOM 0 HE ARG A 963 -7.355 -0.706 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -7.028 2.705 10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -7.273 2.417 12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -7.688 -1.070 11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -7.646 0.282 12.824 1.00 0.00 H new ATOM 816 N THR A 964 -6.795 -1.528 4.899 1.00 0.00 N ATOM 817 CA THR A 964 -7.733 -2.488 4.344 1.00 0.00 C ATOM 818 C THR A 964 -6.943 -3.486 3.522 1.00 0.00 C ATOM 819 O THR A 964 -7.220 -4.686 3.521 1.00 0.00 O ATOM 820 CB THR A 964 -8.823 -1.814 3.470 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.547 -0.857 4.254 1.00 0.00 O ATOM 822 CG2 THR A 964 -9.804 -2.843 2.934 1.00 0.00 C ATOM 0 H THR A 964 -6.942 -0.563 4.603 1.00 0.00 H new ATOM 0 HA THR A 964 -8.258 -2.982 5.162 1.00 0.00 H new ATOM 0 HB THR A 964 -8.328 -1.323 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 964 -9.185 0.039 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.558 -2.344 2.325 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.270 -3.572 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.289 -3.352 3.767 1.00 0.00 H new ATOM 830 N LEU A 965 -5.913 -2.964 2.874 1.00 0.00 N ATOM 831 CA LEU A 965 -4.963 -3.781 2.146 1.00 0.00 C ATOM 832 C LEU A 965 -4.258 -4.733 3.092 1.00 0.00 C ATOM 833 O LEU A 965 -4.180 -5.937 2.844 1.00 0.00 O ATOM 834 CB LEU A 965 -3.927 -2.896 1.461 1.00 0.00 C ATOM 835 CG LEU A 965 -2.667 -3.631 0.988 1.00 0.00 C ATOM 836 CD1 LEU A 965 -2.985 -4.556 -0.173 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.586 -2.641 0.600 1.00 0.00 C ATOM 0 H LEU A 965 -5.715 -1.964 2.840 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.506 -4.354 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.393 -2.413 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.632 -2.105 2.151 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.298 -4.238 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -2.076 -5.066 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -3.724 -5.293 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.384 -3.974 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.700 -3.182 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.948 -2.005 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.332 -2.024 1.462 1.00 0.00 H new ATOM 849 N LEU A 966 -3.786 -4.181 4.205 1.00 0.00 N ATOM 850 CA LEU A 966 -2.978 -4.929 5.145 1.00 0.00 C ATOM 851 C LEU A 966 -3.824 -6.023 5.770 1.00 0.00 C ATOM 852 O LEU A 966 -3.352 -7.119 6.009 1.00 0.00 O ATOM 853 CB LEU A 966 -2.412 -3.981 6.218 1.00 0.00 C ATOM 854 CG LEU A 966 -1.489 -4.614 7.269 1.00 0.00 C ATOM 855 CD1 LEU A 966 -0.507 -3.580 7.793 1.00 0.00 C ATOM 856 CD2 LEU A 966 -2.295 -5.185 8.431 1.00 0.00 C ATOM 0 H LEU A 966 -3.954 -3.211 4.474 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.137 -5.392 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -1.862 -3.185 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.249 -3.512 6.736 1.00 0.00 H new ATOM 0 HG LEU A 966 -0.942 -5.427 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 966 0.143 -4.040 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 966 0.097 -3.201 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -1.055 -2.756 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -1.617 -5.627 9.161 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -2.867 -4.387 8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -2.977 -5.950 8.060 1.00 0.00 H new ATOM 868 N ALA A 967 -5.089 -5.696 6.030 1.00 0.00 N ATOM 869 CA ALA A 967 -6.044 -6.637 6.601 1.00 0.00 C ATOM 870 C ALA A 967 -6.460 -7.702 5.598 1.00 0.00 C ATOM 871 O ALA A 967 -6.741 -8.824 5.997 1.00 0.00 O ATOM 872 CB ALA A 967 -7.261 -5.905 7.146 1.00 0.00 C ATOM 0 H ALA A 967 -5.478 -4.771 5.850 1.00 0.00 H new ATOM 0 HA ALA A 967 -5.546 -7.145 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -7.961 -6.626 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -6.948 -5.207 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -7.747 -5.357 6.339 1.00 0.00 H new ATOM 878 N THR A 968 -6.494 -7.384 4.313 1.00 0.00 N ATOM 879 CA THR A 968 -6.747 -8.419 3.321 1.00 0.00 C ATOM 880 C THR A 968 -5.527 -9.337 3.216 1.00 0.00 C ATOM 881 O THR A 968 -5.659 -10.548 3.066 1.00 0.00 O ATOM 882 CB THR A 968 -7.113 -7.846 1.938 1.00 0.00 C ATOM 883 OG1 THR A 968 -8.161 -6.876 2.077 1.00 0.00 O ATOM 884 CG2 THR A 968 -7.578 -8.957 1.014 1.00 0.00 C ATOM 0 H THR A 968 -6.354 -6.445 3.939 1.00 0.00 H new ATOM 0 HA THR A 968 -7.613 -8.989 3.657 1.00 0.00 H new ATOM 0 HB THR A 968 -6.229 -7.373 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 968 -8.095 -6.217 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 968 -7.833 -8.538 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 968 -6.780 -9.690 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 968 -8.455 -9.442 1.441 1.00 0.00 H new ATOM 892 N VAL A 969 -4.339 -8.751 3.332 1.00 0.00 N ATOM 893 CA VAL A 969 -3.097 -9.519 3.414 1.00 0.00 C ATOM 894 C VAL A 969 -3.031 -10.286 4.741 1.00 0.00 C ATOM 895 O VAL A 969 -2.662 -11.457 4.767 1.00 0.00 O ATOM 896 CB VAL A 969 -1.845 -8.621 3.272 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.577 -9.452 3.327 1.00 0.00 C ATOM 898 CG2 VAL A 969 -1.888 -7.822 1.981 1.00 0.00 C ATOM 0 H VAL A 969 -4.208 -7.740 3.372 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.100 -10.222 2.581 1.00 0.00 H new ATOM 0 HB VAL A 969 -1.843 -7.923 4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.290 -8.800 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.527 -9.976 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.582 -10.178 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -0.996 -7.200 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -1.925 -8.504 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.774 -7.187 1.975 1.00 0.00 H new ATOM 908 N ASP A 970 -3.467 -9.660 5.817 1.00 0.00 N ATOM 909 CA ASP A 970 -3.425 -10.295 7.133 1.00 0.00 C ATOM 910 C ASP A 970 -4.396 -11.458 7.144 1.00 0.00 C ATOM 911 O ASP A 970 -4.109 -12.541 7.661 1.00 0.00 O ATOM 912 CB ASP A 970 -3.785 -9.291 8.232 1.00 0.00 C ATOM 913 CG ASP A 970 -3.867 -9.916 9.610 1.00 0.00 C ATOM 914 OD1 ASP A 970 -4.951 -10.407 9.980 1.00 0.00 O ATOM 915 OD2 ASP A 970 -2.859 -9.898 10.337 1.00 0.00 O ATOM 0 H ASP A 970 -3.854 -8.716 5.813 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.415 -10.655 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.041 -8.495 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.743 -8.828 7.993 1.00 0.00 H new ATOM 920 N GLU A 971 -5.538 -11.225 6.525 1.00 0.00 N ATOM 921 CA GLU A 971 -6.564 -12.233 6.394 1.00 0.00 C ATOM 922 C GLU A 971 -6.081 -13.343 5.458 1.00 0.00 C ATOM 923 O GLU A 971 -6.453 -14.504 5.601 1.00 0.00 O ATOM 924 CB GLU A 971 -7.827 -11.564 5.864 1.00 0.00 C ATOM 925 CG GLU A 971 -9.019 -12.495 5.698 1.00 0.00 C ATOM 926 CD GLU A 971 -9.575 -12.993 7.016 1.00 0.00 C ATOM 927 OE1 GLU A 971 -9.011 -13.947 7.587 1.00 0.00 O ATOM 928 OE2 GLU A 971 -10.600 -12.445 7.477 1.00 0.00 O ATOM 0 H GLU A 971 -5.777 -10.329 6.100 1.00 0.00 H new ATOM 0 HA GLU A 971 -6.783 -12.690 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.106 -10.757 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -7.603 -11.108 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -9.806 -11.974 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -8.722 -13.350 5.090 1.00 0.00 H new ATOM 935 N SER A 972 -5.220 -12.968 4.517 1.00 0.00 N ATOM 936 CA SER A 972 -4.597 -13.923 3.608 1.00 0.00 C ATOM 937 C SER A 972 -3.603 -14.811 4.350 1.00 0.00 C ATOM 938 O SER A 972 -3.256 -15.899 3.877 1.00 0.00 O ATOM 939 CB SER A 972 -3.909 -13.199 2.446 1.00 0.00 C ATOM 940 OG SER A 972 -4.860 -12.555 1.614 1.00 0.00 O ATOM 0 H SER A 972 -4.936 -12.000 4.364 1.00 0.00 H new ATOM 0 HA SER A 972 -5.382 -14.559 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.205 -12.464 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.331 -13.913 1.859 1.00 0.00 H new ATOM 0 HG SER A 972 -5.156 -11.723 2.039 1.00 0.00 H new ATOM 946 N LEU A 973 -3.185 -14.377 5.532 1.00 0.00 N ATOM 947 CA LEU A 973 -2.203 -15.121 6.295 1.00 0.00 C ATOM 948 C LEU A 973 -2.806 -16.437 6.799 1.00 0.00 C ATOM 949 O LEU A 973 -2.236 -17.494 6.557 1.00 0.00 O ATOM 950 CB LEU A 973 -1.664 -14.267 7.457 1.00 0.00 C ATOM 951 CG LEU A 973 -0.560 -14.898 8.313 1.00 0.00 C ATOM 952 CD1 LEU A 973 0.327 -13.815 8.898 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.157 -15.730 9.439 1.00 0.00 C ATOM 0 H LEU A 973 -3.511 -13.519 5.977 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.362 -15.365 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.285 -13.332 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -2.499 -14.013 8.110 1.00 0.00 H new ATOM 0 HG LEU A 973 0.035 -15.550 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 973 1.108 -14.273 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.783 -13.243 8.090 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.272 -13.150 9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -0.355 -16.168 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -1.773 -15.094 10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -1.772 -16.525 9.017 1.00 0.00 H new ATOM 965 N PRO A 974 -3.973 -16.421 7.491 1.00 0.00 N ATOM 966 CA PRO A 974 -4.579 -17.653 7.987 1.00 0.00 C ATOM 967 C PRO A 974 -5.572 -18.315 7.020 1.00 0.00 C ATOM 968 O PRO A 974 -6.150 -19.352 7.354 1.00 0.00 O ATOM 969 CB PRO A 974 -5.285 -17.190 9.251 1.00 0.00 C ATOM 970 CG PRO A 974 -5.699 -15.785 8.963 1.00 0.00 C ATOM 971 CD PRO A 974 -4.752 -15.248 7.916 1.00 0.00 C ATOM 0 HA PRO A 974 -3.827 -18.428 8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -6.147 -17.818 9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -4.622 -17.238 10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.728 -15.753 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -5.657 -15.178 9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.294 -14.806 7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.107 -14.470 8.325 1.00 0.00 H new ATOM 979 N VAL A 975 -5.791 -17.749 5.835 1.00 0.00 N ATOM 980 CA VAL A 975 -6.604 -18.436 4.845 1.00 0.00 C ATOM 981 C VAL A 975 -5.772 -19.422 4.033 1.00 0.00 C ATOM 982 O VAL A 975 -6.304 -20.405 3.518 1.00 0.00 O ATOM 983 CB VAL A 975 -7.325 -17.476 3.882 1.00 0.00 C ATOM 984 CG1 VAL A 975 -8.326 -16.610 4.621 1.00 0.00 C ATOM 985 CG2 VAL A 975 -6.340 -16.621 3.107 1.00 0.00 C ATOM 0 H VAL A 975 -5.427 -16.841 5.546 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.363 -18.972 5.414 1.00 0.00 H new ATOM 0 HB VAL A 975 -7.871 -18.086 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -8.820 -15.942 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -9.070 -17.244 5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -7.808 -16.020 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -6.884 -15.955 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -5.746 -16.029 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -5.681 -17.264 2.523 1.00 0.00 H new ATOM 1049 N THR A 980 2.614 -19.692 3.111 1.00 0.00 N ATOM 1050 CA THR A 980 2.218 -18.368 2.638 1.00 0.00 C ATOM 1051 C THR A 980 2.231 -17.330 3.770 1.00 0.00 C ATOM 1052 O THR A 980 2.372 -16.132 3.517 1.00 0.00 O ATOM 1053 CB THR A 980 0.814 -18.427 1.992 1.00 0.00 C ATOM 1054 OG1 THR A 980 0.775 -19.472 1.013 1.00 0.00 O ATOM 1055 CG2 THR A 980 0.452 -17.117 1.320 1.00 0.00 C ATOM 0 HA THR A 980 2.948 -18.056 1.891 1.00 0.00 H new ATOM 0 HB THR A 980 0.094 -18.621 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.420 -20.169 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 980 -0.541 -17.197 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 980 0.457 -16.316 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.180 -16.895 0.540 1.00 0.00 H new ATOM 1063 N HIS A 981 2.141 -17.805 5.012 1.00 0.00 N ATOM 1064 CA HIS A 981 2.095 -16.926 6.192 1.00 0.00 C ATOM 1065 C HIS A 981 3.218 -15.899 6.183 1.00 0.00 C ATOM 1066 O HIS A 981 3.000 -14.733 6.492 1.00 0.00 O ATOM 1067 CB HIS A 981 2.189 -17.733 7.495 1.00 0.00 C ATOM 1068 CG HIS A 981 0.959 -18.519 7.820 1.00 0.00 C ATOM 1069 ND1 HIS A 981 0.472 -18.674 9.101 1.00 0.00 N ATOM 1070 CD2 HIS A 981 0.119 -19.204 7.019 1.00 0.00 C ATOM 1071 CE1 HIS A 981 -0.617 -19.421 9.068 1.00 0.00 C ATOM 1072 NE2 HIS A 981 -0.855 -19.755 7.815 1.00 0.00 N ATOM 0 H HIS A 981 2.098 -18.800 5.233 1.00 0.00 H new ATOM 0 HA HIS A 981 1.137 -16.409 6.145 1.00 0.00 H new ATOM 0 HB2 HIS A 981 3.035 -18.416 7.426 1.00 0.00 H new ATOM 0 HB3 HIS A 981 2.398 -17.050 8.318 1.00 0.00 H new ATOM 0 HD2 HIS A 981 0.198 -19.302 5.946 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -1.211 -19.709 9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -1.634 -20.328 7.490 1.00 0.00 H new ATOM 1081 N ARG A 982 4.406 -16.323 5.783 1.00 0.00 N ATOM 1082 CA ARG A 982 5.583 -15.478 5.916 1.00 0.00 C ATOM 1083 C ARG A 982 5.725 -14.492 4.759 1.00 0.00 C ATOM 1084 O ARG A 982 6.432 -13.493 4.891 1.00 0.00 O ATOM 1085 CB ARG A 982 6.858 -16.287 6.133 1.00 0.00 C ATOM 1086 CG ARG A 982 7.049 -17.427 5.151 1.00 0.00 C ATOM 1087 CD ARG A 982 8.454 -17.994 5.261 1.00 0.00 C ATOM 1088 NE ARG A 982 8.612 -19.265 4.555 1.00 0.00 N ATOM 1089 CZ ARG A 982 9.583 -19.506 3.673 1.00 0.00 C ATOM 1090 NH1 ARG A 982 10.365 -18.518 3.250 1.00 0.00 N ATOM 1091 NH2 ARG A 982 9.747 -20.729 3.188 1.00 0.00 N ATOM 0 H ARG A 982 4.581 -17.238 5.367 1.00 0.00 H new ATOM 0 HA ARG A 982 5.430 -14.885 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.715 -15.617 6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.849 -16.692 7.145 1.00 0.00 H new ATOM 0 HG2 ARG A 982 6.318 -18.211 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 982 6.872 -17.073 4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.164 -17.271 4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.702 -18.135 6.313 1.00 0.00 H new ATOM 0 HE ARG A 982 7.942 -20.009 4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.224 -17.570 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 982 11.106 -18.707 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.131 -21.484 3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 982 10.489 -20.915 2.513 1.00 0.00 H new ATOM 1105 N GLU A 983 5.062 -14.738 3.639 1.00 0.00 N ATOM 1106 CA GLU A 983 5.025 -13.736 2.581 1.00 0.00 C ATOM 1107 C GLU A 983 4.089 -12.616 2.998 1.00 0.00 C ATOM 1108 O GLU A 983 4.328 -11.445 2.706 1.00 0.00 O ATOM 1109 CB GLU A 983 4.537 -14.322 1.267 1.00 0.00 C ATOM 1110 CG GLU A 983 5.552 -14.241 0.134 1.00 0.00 C ATOM 1111 CD GLU A 983 6.801 -15.069 0.371 1.00 0.00 C ATOM 1112 OE1 GLU A 983 7.660 -14.657 1.181 1.00 0.00 O ATOM 1113 OE2 GLU A 983 6.943 -16.125 -0.274 1.00 0.00 O ATOM 0 H GLU A 983 4.554 -15.600 3.440 1.00 0.00 H new ATOM 0 HA GLU A 983 6.038 -13.364 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.268 -15.366 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.629 -13.801 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.078 -14.572 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.840 -13.200 -0.010 1.00 0.00 H new ATOM 1120 N ILE A 984 3.035 -12.986 3.712 1.00 0.00 N ATOM 1121 CA ILE A 984 2.101 -12.015 4.251 1.00 0.00 C ATOM 1122 C ILE A 984 2.777 -11.258 5.380 1.00 0.00 C ATOM 1123 O ILE A 984 2.550 -10.062 5.555 1.00 0.00 O ATOM 1124 CB ILE A 984 0.794 -12.679 4.750 1.00 0.00 C ATOM 1125 CG1 ILE A 984 -0.166 -12.934 3.583 1.00 0.00 C ATOM 1126 CG2 ILE A 984 0.121 -11.837 5.823 1.00 0.00 C ATOM 1127 CD1 ILE A 984 0.256 -14.059 2.676 1.00 0.00 C ATOM 0 H ILE A 984 2.807 -13.956 3.930 1.00 0.00 H new ATOM 0 HA ILE A 984 1.820 -11.327 3.454 1.00 0.00 H new ATOM 0 HB ILE A 984 1.058 -13.638 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -1.156 -13.155 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -0.256 -12.021 2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -0.793 -12.330 6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.796 -11.721 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.123 -10.856 5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -0.475 -14.175 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 984 1.232 -13.833 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 984 0.318 -14.984 3.249 1.00 0.00 H new ATOM 1139 N GLU A 985 3.656 -11.953 6.090 1.00 0.00 N ATOM 1140 CA GLU A 985 4.457 -11.329 7.124 1.00 0.00 C ATOM 1141 C GLU A 985 5.255 -10.188 6.521 1.00 0.00 C ATOM 1142 O GLU A 985 5.144 -9.044 6.938 1.00 0.00 O ATOM 1143 CB GLU A 985 5.438 -12.341 7.730 1.00 0.00 C ATOM 1144 CG GLU A 985 4.788 -13.411 8.593 1.00 0.00 C ATOM 1145 CD GLU A 985 4.375 -12.907 9.964 1.00 0.00 C ATOM 1146 OE1 GLU A 985 4.964 -11.916 10.446 1.00 0.00 O ATOM 1147 OE2 GLU A 985 3.488 -13.527 10.588 1.00 0.00 O ATOM 0 H GLU A 985 3.829 -12.950 5.965 1.00 0.00 H new ATOM 0 HA GLU A 985 3.790 -10.961 7.903 1.00 0.00 H new ATOM 0 HB2 GLU A 985 5.985 -12.827 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 985 6.170 -11.802 8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 985 3.910 -13.801 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 985 5.482 -14.243 8.713 1.00 0.00 H new ATOM 1154 N MET A 986 6.001 -10.511 5.472 1.00 0.00 N ATOM 1155 CA MET A 986 6.945 -9.571 4.893 1.00 0.00 C ATOM 1156 C MET A 986 6.226 -8.411 4.221 1.00 0.00 C ATOM 1157 O MET A 986 6.573 -7.245 4.412 1.00 0.00 O ATOM 1158 CB MET A 986 7.835 -10.296 3.876 1.00 0.00 C ATOM 1159 CG MET A 986 8.797 -9.379 3.136 1.00 0.00 C ATOM 1160 SD MET A 986 9.776 -10.252 1.895 1.00 0.00 S ATOM 1161 CE MET A 986 10.701 -11.394 2.923 1.00 0.00 C ATOM 0 H MET A 986 5.969 -11.418 5.006 1.00 0.00 H new ATOM 0 HA MET A 986 7.561 -9.165 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.407 -11.066 4.393 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.201 -10.804 3.149 1.00 0.00 H new ATOM 0 HG2 MET A 986 8.233 -8.581 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 986 9.467 -8.906 3.854 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.551 -11.783 2.362 1.00 0.00 H new ATOM 0 HE2 MET A 986 11.060 -10.875 3.811 1.00 0.00 H new ATOM 0 HE3 MET A 986 10.055 -12.220 3.222 1.00 0.00 H new ATOM 1171 N ALA A 987 5.201 -8.750 3.448 1.00 0.00 N ATOM 1172 CA ALA A 987 4.523 -7.783 2.603 1.00 0.00 C ATOM 1173 C ALA A 987 3.737 -6.752 3.402 1.00 0.00 C ATOM 1174 O ALA A 987 3.904 -5.547 3.201 1.00 0.00 O ATOM 1175 CB ALA A 987 3.601 -8.508 1.639 1.00 0.00 C ATOM 0 H ALA A 987 4.821 -9.695 3.391 1.00 0.00 H new ATOM 0 HA ALA A 987 5.290 -7.238 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.093 -7.781 1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.185 -9.186 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 987 2.862 -9.078 2.202 1.00 0.00 H new ATOM 1181 N GLN A 988 2.882 -7.211 4.308 1.00 0.00 N ATOM 1182 CA GLN A 988 2.052 -6.273 5.064 1.00 0.00 C ATOM 1183 C GLN A 988 2.903 -5.374 5.967 1.00 0.00 C ATOM 1184 O GLN A 988 2.522 -4.243 6.260 1.00 0.00 O ATOM 1185 CB GLN A 988 0.952 -6.989 5.856 1.00 0.00 C ATOM 1186 CG GLN A 988 1.420 -7.744 7.091 1.00 0.00 C ATOM 1187 CD GLN A 988 0.310 -8.589 7.692 1.00 0.00 C ATOM 1188 OE1 GLN A 988 -0.931 -8.164 7.494 1.00 0.00 O flip ATOM 1189 NE2 GLN A 988 0.562 -9.613 8.321 1.00 0.00 N flip ATOM 0 H GLN A 988 2.744 -8.196 4.535 1.00 0.00 H new ATOM 0 HA GLN A 988 1.553 -5.631 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 988 0.210 -6.251 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.448 -7.691 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 988 2.262 -8.384 6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.780 -7.034 7.836 1.00 0.00 H new ATOM 0 HE21 GLN A 988 1.530 -9.906 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -0.197 -10.170 8.713 1.00 0.00 H new ATOM 1198 N LYS A 989 4.066 -5.867 6.375 1.00 0.00 N ATOM 1199 CA LYS A 989 5.012 -5.073 7.159 1.00 0.00 C ATOM 1200 C LYS A 989 5.735 -4.053 6.300 1.00 0.00 C ATOM 1201 O LYS A 989 6.012 -2.937 6.732 1.00 0.00 O ATOM 1202 CB LYS A 989 6.069 -5.967 7.768 1.00 0.00 C ATOM 1203 CG LYS A 989 5.555 -6.846 8.883 1.00 0.00 C ATOM 1204 CD LYS A 989 6.570 -7.916 9.220 1.00 0.00 C ATOM 1205 CE LYS A 989 7.736 -7.364 10.019 1.00 0.00 C ATOM 1206 NZ LYS A 989 8.587 -8.453 10.567 1.00 0.00 N ATOM 0 H LYS A 989 4.380 -6.817 6.176 1.00 0.00 H new ATOM 0 HA LYS A 989 4.430 -4.565 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 989 6.492 -6.598 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 989 6.879 -5.347 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 989 5.348 -6.241 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 989 4.614 -7.309 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 989 6.085 -8.709 9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 989 6.942 -8.365 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 989 8.339 -6.715 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 989 7.359 -6.749 10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 9.374 -8.040 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 8.017 -9.057 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 8.966 -9.024 9.785 1.00 0.00 H new ATOM 1220 N LEU A 990 6.139 -4.482 5.116 1.00 0.00 N ATOM 1221 CA LEU A 990 6.861 -3.593 4.224 1.00 0.00 C ATOM 1222 C LEU A 990 6.115 -2.277 3.959 1.00 0.00 C ATOM 1223 O LEU A 990 6.652 -1.201 4.234 1.00 0.00 O ATOM 1224 CB LEU A 990 7.215 -4.271 2.911 1.00 0.00 C ATOM 1225 CG LEU A 990 8.113 -3.404 2.050 1.00 0.00 C ATOM 1226 CD1 LEU A 990 9.434 -3.150 2.758 1.00 0.00 C ATOM 1227 CD2 LEU A 990 8.349 -4.039 0.693 1.00 0.00 C ATOM 0 H LEU A 990 5.983 -5.423 4.755 1.00 0.00 H new ATOM 0 HA LEU A 990 7.786 -3.344 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.713 -5.219 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.301 -4.502 2.364 1.00 0.00 H new ATOM 0 HG LEU A 990 7.612 -2.450 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 990 10.070 -2.526 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 990 9.248 -2.641 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.933 -4.100 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 990 8.996 -3.395 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 990 8.825 -5.011 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 990 7.395 -4.168 0.181 1.00 0.00 H new ATOM 1239 N LEU A 991 4.889 -2.341 3.433 1.00 0.00 N ATOM 1240 CA LEU A 991 4.130 -1.113 3.171 1.00 0.00 C ATOM 1241 C LEU A 991 3.742 -0.450 4.477 1.00 0.00 C ATOM 1242 O LEU A 991 3.465 0.745 4.526 1.00 0.00 O ATOM 1243 CB LEU A 991 2.864 -1.387 2.385 1.00 0.00 C ATOM 1244 CG LEU A 991 2.366 -0.198 1.566 1.00 0.00 C ATOM 1245 CD1 LEU A 991 3.344 0.107 0.446 1.00 0.00 C ATOM 1246 CD2 LEU A 991 0.978 -0.465 1.012 1.00 0.00 C ATOM 0 H LEU A 991 4.409 -3.206 3.185 1.00 0.00 H new ATOM 0 HA LEU A 991 4.776 -0.460 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 991 3.041 -2.227 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.079 -1.692 3.077 1.00 0.00 H new ATOM 0 HG LEU A 991 2.301 0.672 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 991 2.981 0.956 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 991 4.319 0.347 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.435 -0.763 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 991 0.646 0.396 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 991 1.006 -1.345 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 991 0.285 -0.638 1.835 1.00 0.00 H new ATOM 1258 N ASN A 992 3.703 -1.257 5.517 1.00 0.00 N ATOM 1259 CA ASN A 992 3.460 -0.794 6.870 1.00 0.00 C ATOM 1260 C ASN A 992 4.407 0.350 7.231 1.00 0.00 C ATOM 1261 O ASN A 992 3.969 1.432 7.634 1.00 0.00 O ATOM 1262 CB ASN A 992 3.676 -1.969 7.805 1.00 0.00 C ATOM 1263 CG ASN A 992 3.463 -1.650 9.265 1.00 0.00 C ATOM 1264 OD1 ASN A 992 4.369 -1.178 9.953 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.270 -1.943 9.754 1.00 0.00 N ATOM 0 H ASN A 992 3.841 -2.265 5.447 1.00 0.00 H new ATOM 0 HA ASN A 992 2.442 -0.416 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 992 3.000 -2.775 7.519 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.691 -2.342 7.671 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.069 -1.779 10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 992 1.551 -2.333 9.145 1.00 0.00 H new ATOM 1272 N SER A 993 5.700 0.118 7.072 1.00 0.00 N ATOM 1273 CA SER A 993 6.689 1.148 7.342 1.00 0.00 C ATOM 1274 C SER A 993 6.740 2.182 6.213 1.00 0.00 C ATOM 1275 O SER A 993 7.130 3.331 6.434 1.00 0.00 O ATOM 1276 CB SER A 993 8.062 0.508 7.572 1.00 0.00 C ATOM 1277 OG SER A 993 8.324 -0.495 6.601 1.00 0.00 O ATOM 0 H SER A 993 6.088 -0.772 6.758 1.00 0.00 H new ATOM 0 HA SER A 993 6.397 1.678 8.249 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.836 1.274 7.527 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.102 0.072 8.570 1.00 0.00 H new ATOM 0 HG SER A 993 9.206 -0.888 6.767 1.00 0.00 H new ATOM 1283 N ASP A 994 6.360 1.778 5.008 1.00 0.00 N ATOM 1284 CA ASP A 994 6.316 2.712 3.878 1.00 0.00 C ATOM 1285 C ASP A 994 5.268 3.805 4.134 1.00 0.00 C ATOM 1286 O ASP A 994 5.559 4.999 4.066 1.00 0.00 O ATOM 1287 CB ASP A 994 6.022 1.970 2.577 1.00 0.00 C ATOM 1288 CG ASP A 994 6.546 2.713 1.371 1.00 0.00 C ATOM 1289 OD1 ASP A 994 5.813 3.541 0.821 1.00 0.00 O ATOM 1290 OD2 ASP A 994 7.712 2.468 0.979 1.00 0.00 O ATOM 0 H ASP A 994 6.080 0.823 4.784 1.00 0.00 H new ATOM 0 HA ASP A 994 7.292 3.187 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.472 0.978 2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 994 4.946 1.828 2.476 1.00 0.00 H new ATOM 1295 N LEU A 995 4.052 3.367 4.456 1.00 0.00 N ATOM 1296 CA LEU A 995 2.985 4.235 4.970 1.00 0.00 C ATOM 1297 C LEU A 995 3.479 5.050 6.155 1.00 0.00 C ATOM 1298 O LEU A 995 3.014 6.171 6.364 1.00 0.00 O ATOM 1299 CB LEU A 995 1.758 3.420 5.388 1.00 0.00 C ATOM 1300 CG LEU A 995 0.946 4.020 6.546 1.00 0.00 C ATOM 1301 CD1 LEU A 995 -0.121 4.973 6.035 1.00 0.00 C ATOM 1302 CD2 LEU A 995 0.340 2.923 7.406 1.00 0.00 C ATOM 0 H LEU A 995 3.773 2.390 4.368 1.00 0.00 H new ATOM 0 HA LEU A 995 2.698 4.910 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.103 3.308 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 995 2.084 2.420 5.672 1.00 0.00 H new ATOM 0 HG LEU A 995 1.628 4.597 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -0.678 5.381 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 995 0.351 5.787 5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.803 4.436 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -0.230 3.372 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -0.321 2.306 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.136 2.303 7.819 1.00 0.00 H new ATOM 1314 N ALA A 996 4.433 4.552 6.900 1.00 0.00 N ATOM 1315 CA ALA A 996 4.967 5.360 7.990 1.00 0.00 C ATOM 1316 C ALA A 996 5.790 6.544 7.456 1.00 0.00 C ATOM 1317 O ALA A 996 5.724 7.637 8.023 1.00 0.00 O ATOM 1318 CB ALA A 996 5.746 4.526 8.996 1.00 0.00 C ATOM 0 H ALA A 996 4.850 3.628 6.788 1.00 0.00 H new ATOM 0 HA ALA A 996 4.117 5.775 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 996 6.124 5.172 9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 996 5.090 3.769 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.583 4.039 8.495 1.00 0.00 H new ATOM 1324 N GLU A 997 6.523 6.382 6.358 1.00 0.00 N ATOM 1325 CA GLU A 997 7.234 7.531 5.797 1.00 0.00 C ATOM 1326 C GLU A 997 6.285 8.430 5.020 1.00 0.00 C ATOM 1327 O GLU A 997 6.498 9.641 4.962 1.00 0.00 O ATOM 1328 CB GLU A 997 8.425 7.158 4.917 1.00 0.00 C ATOM 1329 CG GLU A 997 8.074 6.757 3.505 1.00 0.00 C ATOM 1330 CD GLU A 997 9.268 6.897 2.592 1.00 0.00 C ATOM 1331 OE1 GLU A 997 9.566 8.040 2.174 1.00 0.00 O ATOM 1332 OE2 GLU A 997 9.938 5.880 2.319 1.00 0.00 O ATOM 0 H GLU A 997 6.640 5.503 5.854 1.00 0.00 H new ATOM 0 HA GLU A 997 7.637 8.066 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.109 8.006 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.963 6.336 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 997 7.721 5.726 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 997 7.257 7.378 3.139 1.00 0.00 H new ATOM 1339 N LEU A 998 5.232 7.858 4.444 1.00 0.00 N ATOM 1340 CA LEU A 998 4.261 8.658 3.710 1.00 0.00 C ATOM 1341 C LEU A 998 3.707 9.748 4.601 1.00 0.00 C ATOM 1342 O LEU A 998 3.671 10.919 4.230 1.00 0.00 O ATOM 1343 CB LEU A 998 3.099 7.805 3.204 1.00 0.00 C ATOM 1344 CG LEU A 998 1.746 8.532 3.167 1.00 0.00 C ATOM 1345 CD1 LEU A 998 1.471 9.105 1.789 1.00 0.00 C ATOM 1346 CD2 LEU A 998 0.619 7.616 3.609 1.00 0.00 C ATOM 0 H LEU A 998 5.032 6.858 4.471 1.00 0.00 H new ATOM 0 HA LEU A 998 4.778 9.093 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.335 7.451 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.007 6.924 3.840 1.00 0.00 H new ATOM 0 HG LEU A 998 1.797 9.362 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.507 9.614 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.255 9.815 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 998 1.453 8.298 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 998 -0.326 8.158 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 998 0.569 6.754 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.804 7.277 4.628 1.00 0.00 H new ATOM 1358 N ILE A 999 3.332 9.348 5.802 1.00 0.00 N ATOM 1359 CA ILE A 999 2.672 10.240 6.741 1.00 0.00 C ATOM 1360 C ILE A 999 3.635 11.297 7.282 1.00 0.00 C ATOM 1361 O ILE A 999 3.228 12.421 7.544 1.00 0.00 O ATOM 1362 CB ILE A 999 2.051 9.448 7.913 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.035 8.429 7.382 1.00 0.00 C ATOM 1364 CG2 ILE A 999 1.385 10.388 8.910 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.456 7.530 8.455 1.00 0.00 C ATOM 0 H ILE A 999 3.475 8.401 6.154 1.00 0.00 H new ATOM 0 HA ILE A 999 1.876 10.748 6.196 1.00 0.00 H new ATOM 0 HB ILE A 999 2.850 8.915 8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.222 8.963 6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.516 7.811 6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 999 0.955 9.807 9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 999 2.127 11.080 9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 999 0.596 10.950 8.410 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.254 6.836 8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.259 6.968 8.932 1.00 0.00 H new ATOM 0 HD13 ILE A 999 -0.055 8.138 9.202 1.00 0.00 H new ATOM 1377 N ASN A1000 4.910 10.946 7.434 1.00 0.00 N ATOM 1378 CA ASN A1000 5.905 11.895 7.952 1.00 0.00 C ATOM 1379 C ASN A1000 6.125 13.072 6.994 1.00 0.00 C ATOM 1380 O ASN A1000 6.215 14.224 7.416 1.00 0.00 O ATOM 1381 CB ASN A1000 7.239 11.193 8.232 1.00 0.00 C ATOM 1382 CG ASN A1000 7.302 10.581 9.621 1.00 0.00 C ATOM 1383 OD1 ASN A1000 7.704 11.239 10.581 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.911 9.322 9.744 1.00 0.00 N ATOM 0 H ASN A1000 5.280 10.022 7.210 1.00 0.00 H new ATOM 0 HA ASN A1000 5.509 12.291 8.887 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.396 10.412 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A1000 8.052 11.910 8.118 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.937 8.867 10.656 1.00 0.00 H new ATOM 0 HD22 ASN A1000 6.584 8.807 8.926 1.00 0.00 H new ATOM 1391 N LYS A1001 6.179 12.779 5.705 1.00 0.00 N ATOM 1392 CA LYS A1001 6.407 13.811 4.692 1.00 0.00 C ATOM 1393 C LYS A1001 5.104 14.562 4.457 1.00 0.00 C ATOM 1394 O LYS A1001 5.070 15.777 4.266 1.00 0.00 O ATOM 1395 CB LYS A1001 6.922 13.202 3.375 1.00 0.00 C ATOM 1396 CG LYS A1001 8.383 12.737 3.403 1.00 0.00 C ATOM 1397 CD LYS A1001 8.595 11.566 4.350 1.00 0.00 C ATOM 1398 CE LYS A1001 10.032 11.069 4.348 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.414 10.416 3.065 1.00 0.00 N ATOM 0 H LYS A1001 6.069 11.837 5.330 1.00 0.00 H new ATOM 0 HA LYS A1001 7.173 14.498 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.291 12.352 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.807 13.940 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.690 12.449 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A1001 9.021 13.567 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.319 11.866 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A1001 7.931 10.749 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.702 11.908 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.168 10.361 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 11.359 9.992 3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.723 9.674 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.427 11.125 2.305 1.00 0.00 H new ATOM 1413 N MET A1002 4.029 13.811 4.556 1.00 0.00 N ATOM 1414 CA MET A1002 2.685 14.336 4.448 1.00 0.00 C ATOM 1415 C MET A1002 2.446 15.323 5.578 1.00 0.00 C ATOM 1416 O MET A1002 1.690 16.298 5.460 1.00 0.00 O ATOM 1417 CB MET A1002 1.720 13.158 4.570 1.00 0.00 C ATOM 1418 CG MET A1002 0.351 13.400 3.988 1.00 0.00 C ATOM 1419 SD MET A1002 -0.550 11.863 3.745 1.00 0.00 S ATOM 1420 CE MET A1002 -1.949 12.451 2.811 1.00 0.00 C ATOM 0 H MET A1002 4.064 12.804 4.716 1.00 0.00 H new ATOM 0 HA MET A1002 2.537 14.848 3.497 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.161 12.292 4.076 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.611 12.903 5.624 1.00 0.00 H new ATOM 0 HG2 MET A1002 -0.216 14.053 4.651 1.00 0.00 H new ATOM 0 HG3 MET A1002 0.448 13.920 3.035 1.00 0.00 H new ATOM 0 HE1 MET A1002 -2.861 11.997 3.198 1.00 0.00 H new ATOM 0 HE2 MET A1002 -2.017 13.535 2.901 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.826 12.181 1.762 1.00 0.00 H new ATOM 1430 N LYS A1003 3.168 15.079 6.661 1.00 0.00 N ATOM 1431 CA LYS A1003 2.914 15.727 7.922 1.00 0.00 C ATOM 1432 C LYS A1003 3.399 17.168 7.891 1.00 0.00 C ATOM 1433 O LYS A1003 2.648 18.096 8.180 1.00 0.00 O ATOM 1434 CB LYS A1003 3.618 14.974 9.054 1.00 0.00 C ATOM 1435 CG LYS A1003 2.794 14.825 10.323 1.00 0.00 C ATOM 1436 CD LYS A1003 1.528 14.023 10.067 1.00 0.00 C ATOM 1437 CE LYS A1003 1.144 13.171 11.271 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.884 13.975 12.494 1.00 0.00 N ATOM 0 H LYS A1003 3.948 14.422 6.682 1.00 0.00 H new ATOM 0 HA LYS A1003 1.838 15.720 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A1003 3.893 13.982 8.697 1.00 0.00 H new ATOM 0 HB3 LYS A1003 4.545 15.494 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A1003 3.390 14.332 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A1003 2.531 15.811 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A1003 0.710 14.702 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A1003 1.674 13.380 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A1003 0.254 12.590 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A1003 1.944 12.459 11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 0.579 13.346 13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 1.754 14.470 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.137 14.672 12.299 1.00 0.00 H new ATOM 1452 N LEU A1004 4.660 17.346 7.519 1.00 0.00 N ATOM 1453 CA LEU A1004 5.262 18.673 7.465 1.00 0.00 C ATOM 1454 C LEU A1004 4.784 19.462 6.260 1.00 0.00 C ATOM 1455 O LEU A1004 4.994 20.670 6.196 1.00 0.00 O ATOM 1456 CB LEU A1004 6.793 18.618 7.478 1.00 0.00 C ATOM 1457 CG LEU A1004 7.435 18.228 8.816 1.00 0.00 C ATOM 1458 CD1 LEU A1004 7.238 16.752 9.108 1.00 0.00 C ATOM 1459 CD2 LEU A1004 8.912 18.582 8.824 1.00 0.00 C ATOM 0 H LEU A1004 5.287 16.588 7.250 1.00 0.00 H new ATOM 0 HA LEU A1004 4.934 19.187 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.119 17.907 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.176 19.595 7.184 1.00 0.00 H new ATOM 0 HG LEU A1004 6.939 18.795 9.604 1.00 0.00 H new ATOM 0 HD11 LEU A1004 7.703 16.505 10.062 1.00 0.00 H new ATOM 0 HD12 LEU A1004 6.172 16.530 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A1004 7.697 16.160 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A1004 9.349 18.298 9.781 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.419 18.047 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.030 19.655 8.676 1.00 0.00 H new ATOM 1471 N ALA A1005 4.127 18.811 5.318 1.00 0.00 N ATOM 1472 CA ALA A1005 3.604 19.543 4.180 1.00 0.00 C ATOM 1473 C ALA A1005 2.440 20.420 4.623 1.00 0.00 C ATOM 1474 O ALA A1005 2.421 21.600 4.331 1.00 0.00 O ATOM 1475 CB ALA A1005 3.205 18.619 3.044 1.00 0.00 C ATOM 0 H ALA A1005 3.946 17.807 5.315 1.00 0.00 H new ATOM 0 HA ALA A1005 4.397 20.182 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.819 19.210 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.075 18.052 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.434 17.930 3.389 1.00 0.00 H new ATOM 1481 N GLN A1006 1.479 19.858 5.338 1.00 0.00 N ATOM 1482 CA GLN A1006 0.387 20.662 5.893 1.00 0.00 C ATOM 1483 C GLN A1006 0.851 21.542 7.050 1.00 0.00 C ATOM 1484 O GLN A1006 0.310 22.636 7.229 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.770 19.770 6.327 1.00 0.00 C ATOM 1486 CG GLN A1006 -0.368 18.684 7.319 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.537 19.124 8.758 1.00 0.00 C ATOM 1488 OE1 GLN A1006 -1.470 19.856 9.090 1.00 0.00 O ATOM 1489 NE2 GLN A1006 0.386 18.721 9.611 1.00 0.00 N ATOM 0 H GLN A1006 1.427 18.862 5.549 1.00 0.00 H new ATOM 0 HA GLN A1006 0.041 21.326 5.101 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -1.547 20.390 6.775 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -1.206 19.301 5.445 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.970 17.793 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A1006 0.672 18.406 7.147 1.00 0.00 H new ATOM 0 HE21 GLN A1006 1.143 18.115 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.343 19.016 10.586 1.00 0.00 H new ATOM 1498 N GLN A1007 1.850 21.110 7.813 1.00 0.00 N ATOM 1499 CA GLN A1007 2.320 21.924 8.929 1.00 0.00 C ATOM 1500 C GLN A1007 2.765 23.295 8.416 1.00 0.00 C ATOM 1501 O GLN A1007 2.362 24.332 8.938 1.00 0.00 O ATOM 1502 CB GLN A1007 3.456 21.232 9.712 1.00 0.00 C ATOM 1503 CG GLN A1007 4.856 21.464 9.183 1.00 0.00 C ATOM 1504 CD GLN A1007 5.922 20.997 10.150 1.00 0.00 C ATOM 1505 OE1 GLN A1007 5.735 20.029 10.887 1.00 0.00 O ATOM 1506 NE2 GLN A1007 7.040 21.696 10.170 1.00 0.00 N ATOM 0 H GLN A1007 2.339 20.224 7.685 1.00 0.00 H new ATOM 0 HA GLN A1007 1.492 22.053 9.626 1.00 0.00 H new ATOM 0 HB2 GLN A1007 3.418 21.572 10.747 1.00 0.00 H new ATOM 0 HB3 GLN A1007 3.264 20.159 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A1007 4.975 20.940 8.235 1.00 0.00 H new ATOM 0 HG3 GLN A1007 4.993 22.526 8.980 1.00 0.00 H new ATOM 0 HE21 GLN A1007 7.155 22.492 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A1007 7.790 21.441 10.813 1.00 0.00 H new ATOM 1515 N TYR A1008 3.569 23.295 7.359 1.00 0.00 N ATOM 1516 CA TYR A1008 3.942 24.530 6.704 1.00 0.00 C ATOM 1517 C TYR A1008 3.375 24.525 5.301 1.00 0.00 C ATOM 1518 O TYR A1008 4.050 24.887 4.341 1.00 0.00 O ATOM 1519 CB TYR A1008 5.459 24.732 6.670 1.00 0.00 C ATOM 1520 CG TYR A1008 6.081 25.103 8.004 1.00 0.00 C ATOM 1521 CD1 TYR A1008 5.301 25.313 9.134 1.00 0.00 C ATOM 1522 CD2 TYR A1008 7.458 25.237 8.127 1.00 0.00 C ATOM 1523 CE1 TYR A1008 5.874 25.647 10.345 1.00 0.00 C ATOM 1524 CE2 TYR A1008 8.037 25.571 9.334 1.00 0.00 C ATOM 1525 CZ TYR A1008 7.242 25.772 10.440 1.00 0.00 C ATOM 1526 OH TYR A1008 7.819 26.099 11.645 1.00 0.00 O ATOM 0 H TYR A1008 3.970 22.454 6.943 1.00 0.00 H new ATOM 0 HA TYR A1008 3.530 25.363 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A1008 5.926 23.815 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A1008 5.691 25.514 5.947 1.00 0.00 H new ATOM 0 HD1 TYR A1008 4.228 25.213 9.064 1.00 0.00 H new ATOM 0 HD2 TYR A1008 8.086 25.077 7.263 1.00 0.00 H new ATOM 0 HE1 TYR A1008 5.252 25.809 11.213 1.00 0.00 H new ATOM 0 HE2 TYR A1008 9.109 25.674 9.411 1.00 0.00 H new ATOM 0 HH TYR A1008 8.792 26.146 11.540 1.00 0.00 H new ATOM 1536 N VAL A1009 2.131 24.063 5.197 1.00 0.00 N ATOM 1537 CA VAL A1009 1.375 24.118 3.950 1.00 0.00 C ATOM 1538 C VAL A1009 1.352 25.542 3.427 1.00 0.00 C ATOM 1539 O VAL A1009 1.175 25.804 2.234 1.00 0.00 O ATOM 1540 CB VAL A1009 -0.071 23.633 4.158 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.796 24.545 5.144 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.784 23.582 2.827 1.00 0.00 C ATOM 0 H VAL A1009 1.621 23.641 5.973 1.00 0.00 H new ATOM 0 HA VAL A1009 1.863 23.463 3.229 1.00 0.00 H new ATOM 0 HB VAL A1009 -0.062 22.628 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.818 24.192 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -0.275 24.533 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.814 25.562 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.808 23.238 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.796 24.577 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.263 22.894 2.161 1.00 0.00 H new ATOM 1552 N MET A1010 1.521 26.450 4.361 1.00 0.00 N ATOM 1553 CA MET A1010 1.653 27.864 4.062 1.00 0.00 C ATOM 1554 C MET A1010 2.802 28.127 3.078 1.00 0.00 C ATOM 1555 O MET A1010 2.825 29.170 2.422 1.00 0.00 O ATOM 1556 CB MET A1010 1.910 28.646 5.353 1.00 0.00 C ATOM 1557 CG MET A1010 0.902 28.369 6.456 1.00 0.00 C ATOM 1558 SD MET A1010 1.311 29.219 7.993 1.00 0.00 S ATOM 1559 CE MET A1010 0.092 28.516 9.102 1.00 0.00 C ATOM 0 H MET A1010 1.571 26.231 5.356 1.00 0.00 H new ATOM 0 HA MET A1010 0.722 28.194 3.601 1.00 0.00 H new ATOM 0 HB2 MET A1010 2.908 28.405 5.719 1.00 0.00 H new ATOM 0 HB3 MET A1010 1.902 29.712 5.127 1.00 0.00 H new ATOM 0 HG2 MET A1010 -0.089 28.680 6.125 1.00 0.00 H new ATOM 0 HG3 MET A1010 0.855 27.296 6.639 1.00 0.00 H new ATOM 0 HE1 MET A1010 0.216 28.944 10.097 1.00 0.00 H new ATOM 0 HE2 MET A1010 -0.909 28.741 8.732 1.00 0.00 H new ATOM 0 HE3 MET A1010 0.226 27.435 9.152 1.00 0.00 H new ATOM 1569 N THR A1011 3.752 27.186 2.969 1.00 0.00 N ATOM 1570 CA THR A1011 4.965 27.431 2.188 1.00 0.00 C ATOM 1571 C THR A1011 5.500 26.210 1.395 1.00 0.00 C ATOM 1572 O THR A1011 4.764 25.280 0.965 1.00 0.00 O ATOM 1573 CB THR A1011 6.089 27.939 3.120 1.00 0.00 C ATOM 1574 OG1 THR A1011 6.166 27.123 4.297 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.865 29.389 3.520 1.00 0.00 C ATOM 0 H THR A1011 3.703 26.265 3.405 1.00 0.00 H new ATOM 0 HA THR A1011 4.676 28.175 1.445 1.00 0.00 H new ATOM 0 HB THR A1011 7.028 27.875 2.570 1.00 0.00 H new ATOM 0 HG1 THR A1011 6.882 27.454 4.878 1.00 0.00 H new ATOM 0 HG21 THR A1011 6.673 29.715 4.175 1.00 0.00 H new ATOM 0 HG22 THR A1011 5.847 30.014 2.627 1.00 0.00 H new ATOM 0 HG23 THR A1011 4.914 29.479 4.045 1.00 0.00 H new ATOM 1583 N SER A1012 6.814 26.261 1.183 1.00 0.00 N ATOM 1584 CA SER A1012 7.535 25.312 0.364 1.00 0.00 C ATOM 1585 C SER A1012 7.317 23.873 0.802 1.00 0.00 C ATOM 1586 O SER A1012 7.239 22.987 -0.051 1.00 0.00 O ATOM 1587 CB SER A1012 9.024 25.653 0.384 1.00 0.00 C ATOM 1588 OG SER A1012 9.491 25.789 1.714 1.00 0.00 O ATOM 0 H SER A1012 7.412 26.982 1.588 1.00 0.00 H new ATOM 0 HA SER A1012 7.146 25.391 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.587 24.872 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A1012 9.197 26.580 -0.163 1.00 0.00 H new ATOM 0 HG SER A1012 10.447 26.006 1.705 1.00 0.00 H new ATOM 1594 N LEU A1013 7.238 23.611 2.115 1.00 0.00 N ATOM 1595 CA LEU A1013 6.990 22.256 2.576 1.00 0.00 C ATOM 1596 C LEU A1013 5.775 21.692 1.914 1.00 0.00 C ATOM 1597 O LEU A1013 5.775 20.540 1.533 1.00 0.00 O ATOM 1598 CB LEU A1013 6.763 22.153 4.079 1.00 0.00 C ATOM 1599 CG LEU A1013 7.764 22.903 4.968 1.00 0.00 C ATOM 1600 CD1 LEU A1013 7.726 22.343 6.380 1.00 0.00 C ATOM 1601 CD2 LEU A1013 9.176 22.814 4.407 1.00 0.00 C ATOM 0 H LEU A1013 7.341 24.307 2.853 1.00 0.00 H new ATOM 0 HA LEU A1013 7.892 21.700 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A1013 5.763 22.524 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.781 21.099 4.357 1.00 0.00 H new ATOM 0 HG LEU A1013 7.477 23.954 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A1013 8.439 22.881 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A1013 6.723 22.460 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A1013 7.988 21.285 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A1013 9.861 23.355 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A1013 9.479 21.769 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A1013 9.200 23.254 3.410 1.00 0.00 H new ATOM 1613 N GLN A1014 4.744 22.505 1.760 1.00 0.00 N ATOM 1614 CA GLN A1014 3.498 21.994 1.250 1.00 0.00 C ATOM 1615 C GLN A1014 3.745 21.287 -0.061 1.00 0.00 C ATOM 1616 O GLN A1014 3.402 20.128 -0.240 1.00 0.00 O ATOM 1617 CB GLN A1014 2.494 23.103 1.018 1.00 0.00 C ATOM 1618 CG GLN A1014 1.349 22.653 0.126 1.00 0.00 C ATOM 1619 CD GLN A1014 1.041 23.632 -0.992 1.00 0.00 C ATOM 1620 OE1 GLN A1014 2.070 24.259 -1.546 1.00 0.00 O flip ATOM 1621 NE2 GLN A1014 -0.112 23.798 -1.383 1.00 0.00 N flip ATOM 0 H GLN A1014 4.749 23.501 1.978 1.00 0.00 H new ATOM 0 HA GLN A1014 3.092 21.306 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.097 23.440 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.995 23.957 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.594 21.683 -0.307 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.456 22.514 0.735 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.880 23.299 -0.933 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -0.301 24.435 -2.157 1.00 0.00 H new ATOM 1630 N GLN A1015 4.387 22.016 -0.971 1.00 0.00 N ATOM 1631 CA GLN A1015 4.642 21.478 -2.311 1.00 0.00 C ATOM 1632 C GLN A1015 5.734 20.394 -2.305 1.00 0.00 C ATOM 1633 O GLN A1015 5.603 19.367 -2.967 1.00 0.00 O ATOM 1634 CB GLN A1015 4.963 22.610 -3.302 1.00 0.00 C ATOM 1635 CG GLN A1015 5.907 23.681 -2.772 1.00 0.00 C ATOM 1636 CD GLN A1015 7.336 23.513 -3.256 1.00 0.00 C ATOM 1637 OE1 GLN A1015 7.801 22.403 -3.497 1.00 0.00 O ATOM 1638 NE2 GLN A1015 8.038 24.624 -3.418 1.00 0.00 N ATOM 0 H GLN A1015 4.735 22.962 -0.814 1.00 0.00 H new ATOM 0 HA GLN A1015 3.728 20.989 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN A1015 5.401 22.173 -4.200 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.029 23.086 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A1015 5.540 24.662 -3.076 1.00 0.00 H new ATOM 0 HG3 GLN A1015 5.895 23.660 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN A1015 7.617 25.529 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A1015 9.000 24.575 -3.754 1.00 0.00 H new ATOM 1647 N GLU A1016 6.786 20.617 -1.540 1.00 0.00 N ATOM 1648 CA GLU A1016 7.916 19.688 -1.453 1.00 0.00 C ATOM 1649 C GLU A1016 7.545 18.399 -0.712 1.00 0.00 C ATOM 1650 O GLU A1016 7.699 17.297 -1.240 1.00 0.00 O ATOM 1651 CB GLU A1016 9.067 20.382 -0.732 1.00 0.00 C ATOM 1652 CG GLU A1016 10.360 19.596 -0.747 1.00 0.00 C ATOM 1653 CD GLU A1016 11.504 20.382 -0.154 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.081 21.227 -0.869 1.00 0.00 O ATOM 1655 OE2 GLU A1016 11.830 20.168 1.033 1.00 0.00 O ATOM 0 H GLU A1016 6.889 21.447 -0.957 1.00 0.00 H new ATOM 0 HA GLU A1016 8.208 19.408 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A1016 9.239 21.355 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A1016 8.777 20.567 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.228 18.670 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.604 19.318 -1.772 1.00 0.00 H new ATOM 1662 N TYR A1017 7.052 18.555 0.498 1.00 0.00 N ATOM 1663 CA TYR A1017 6.699 17.448 1.372 1.00 0.00 C ATOM 1664 C TYR A1017 5.598 16.557 0.816 1.00 0.00 C ATOM 1665 O TYR A1017 5.570 15.361 1.060 1.00 0.00 O ATOM 1666 CB TYR A1017 6.247 18.036 2.691 1.00 0.00 C ATOM 1667 CG TYR A1017 7.423 18.120 3.642 1.00 0.00 C ATOM 1668 CD1 TYR A1017 7.755 17.045 4.454 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.238 19.242 3.681 1.00 0.00 C ATOM 1670 CE1 TYR A1017 8.857 17.088 5.286 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.338 19.298 4.516 1.00 0.00 C ATOM 1672 CZ TYR A1017 9.647 18.216 5.312 1.00 0.00 C ATOM 1673 OH TYR A1017 10.748 18.261 6.135 1.00 0.00 O ATOM 0 H TYR A1017 6.881 19.471 0.913 1.00 0.00 H new ATOM 0 HA TYR A1017 7.578 16.812 1.479 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.824 19.028 2.532 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.460 17.419 3.124 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.140 16.157 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.009 20.086 3.048 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.098 16.242 5.913 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.953 20.186 4.545 1.00 0.00 H new ATOM 0 HH TYR A1017 11.197 19.126 6.033 1.00 0.00 H new ATOM 1683 N LYS A1018 4.672 17.188 0.076 1.00 0.00 N ATOM 1684 CA LYS A1018 3.513 16.512 -0.509 1.00 0.00 C ATOM 1685 C LYS A1018 3.939 15.770 -1.763 1.00 0.00 C ATOM 1686 O LYS A1018 3.339 14.767 -2.147 1.00 0.00 O ATOM 1687 CB LYS A1018 2.406 17.522 -0.847 1.00 0.00 C ATOM 1688 CG LYS A1018 1.179 16.931 -1.541 1.00 0.00 C ATOM 1689 CD LYS A1018 0.286 16.149 -0.585 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.943 15.595 -1.300 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.887 14.905 -0.370 1.00 0.00 N ATOM 0 H LYS A1018 4.711 18.186 -0.132 1.00 0.00 H new ATOM 0 HA LYS A1018 3.117 15.803 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.084 18.007 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A1018 2.827 18.298 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.601 17.735 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.504 16.275 -2.348 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.853 15.329 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -0.028 16.796 0.234 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -1.464 16.410 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -0.624 14.896 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.529 14.296 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.348 14.324 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -2.442 15.614 0.151 1.00 0.00 H new ATOM 1705 N LYS A1019 4.981 16.273 -2.406 1.00 0.00 N ATOM 1706 CA LYS A1019 5.580 15.553 -3.519 1.00 0.00 C ATOM 1707 C LYS A1019 6.318 14.345 -2.977 1.00 0.00 C ATOM 1708 O LYS A1019 6.106 13.232 -3.433 1.00 0.00 O ATOM 1709 CB LYS A1019 6.503 16.451 -4.346 1.00 0.00 C ATOM 1710 CG LYS A1019 5.828 17.049 -5.573 1.00 0.00 C ATOM 1711 CD LYS A1019 4.472 17.651 -5.240 1.00 0.00 C ATOM 1712 CE LYS A1019 3.821 18.286 -6.459 1.00 0.00 C ATOM 1713 NZ LYS A1019 3.540 17.290 -7.528 1.00 0.00 N ATOM 0 H LYS A1019 5.424 17.164 -2.181 1.00 0.00 H new ATOM 0 HA LYS A1019 4.792 15.222 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.873 17.259 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.370 15.873 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS A1019 6.471 17.818 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.705 16.276 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.818 16.875 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.590 18.402 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.891 18.770 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.474 19.065 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.949 17.727 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.436 16.970 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.039 16.475 -7.120 1.00 0.00 H new ATOM 1727 N GLN A1020 7.159 14.571 -1.975 1.00 0.00 N ATOM 1728 CA GLN A1020 7.696 13.490 -1.148 1.00 0.00 C ATOM 1729 C GLN A1020 6.571 12.614 -0.602 1.00 0.00 C ATOM 1730 O GLN A1020 6.758 11.411 -0.414 1.00 0.00 O ATOM 1731 CB GLN A1020 8.495 14.071 0.018 1.00 0.00 C ATOM 1732 CG GLN A1020 9.706 14.876 -0.414 1.00 0.00 C ATOM 1733 CD GLN A1020 10.512 15.393 0.760 1.00 0.00 C ATOM 1734 OE1 GLN A1020 10.194 16.591 1.220 1.00 0.00 O flip ATOM 1735 NE2 GLN A1020 11.417 14.718 1.246 1.00 0.00 N flip ATOM 0 H GLN A1020 7.488 15.500 -1.712 1.00 0.00 H new ATOM 0 HA GLN A1020 8.348 12.878 -1.771 1.00 0.00 H new ATOM 0 HB2 GLN A1020 7.841 14.707 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.823 13.257 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A1020 10.344 14.256 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.379 15.718 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A1020 11.630 13.798 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A1020 11.955 15.078 2.034 1.00 0.00 H new ATOM 1744 N MET A1021 5.409 13.202 -0.361 1.00 0.00 N ATOM 1745 CA MET A1021 4.268 12.449 0.123 1.00 0.00 C ATOM 1746 C MET A1021 3.781 11.503 -0.945 1.00 0.00 C ATOM 1747 O MET A1021 3.597 10.327 -0.675 1.00 0.00 O ATOM 1748 CB MET A1021 3.123 13.367 0.551 1.00 0.00 C ATOM 1749 CG MET A1021 1.988 12.639 1.244 1.00 0.00 C ATOM 1750 SD MET A1021 0.374 12.998 0.518 1.00 0.00 S ATOM 1751 CE MET A1021 0.444 12.041 -0.994 1.00 0.00 C ATOM 0 H MET A1021 5.234 14.198 -0.493 1.00 0.00 H new ATOM 0 HA MET A1021 4.595 11.885 0.997 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.514 14.134 1.220 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.732 13.880 -0.328 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.170 11.565 1.198 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.976 12.916 2.298 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.566 11.886 -1.373 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.032 12.578 -1.738 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.908 11.076 -0.792 1.00 0.00 H new ATOM 1761 N LEU A1022 3.585 11.993 -2.169 1.00 0.00 N ATOM 1762 CA LEU A1022 3.058 11.120 -3.199 1.00 0.00 C ATOM 1763 C LEU A1022 4.194 10.288 -3.789 1.00 0.00 C ATOM 1764 O LEU A1022 3.964 9.391 -4.580 1.00 0.00 O ATOM 1765 CB LEU A1022 2.278 11.899 -4.279 1.00 0.00 C ATOM 1766 CG LEU A1022 2.861 11.838 -5.699 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.774 12.062 -6.737 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.967 12.868 -5.873 1.00 0.00 C ATOM 0 H LEU A1022 3.776 12.952 -2.458 1.00 0.00 H new ATOM 0 HA LEU A1022 2.333 10.443 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.257 11.518 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A1022 2.219 12.944 -3.975 1.00 0.00 H new ATOM 0 HG LEU A1022 3.284 10.844 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A1022 2.209 12.015 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A1022 1.011 11.290 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A1022 1.322 13.042 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A1022 4.365 12.807 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A1022 3.565 13.866 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.765 12.670 -5.157 1.00 0.00 H new ATOM 1780 N THR A1023 5.426 10.623 -3.408 1.00 0.00 N ATOM 1781 CA THR A1023 6.586 9.808 -3.738 1.00 0.00 C ATOM 1782 C THR A1023 6.632 8.584 -2.826 1.00 0.00 C ATOM 1783 O THR A1023 6.828 7.469 -3.292 1.00 0.00 O ATOM 1784 CB THR A1023 7.907 10.607 -3.614 1.00 0.00 C ATOM 1785 OG1 THR A1023 7.950 11.652 -4.599 1.00 0.00 O ATOM 1786 CG2 THR A1023 9.114 9.699 -3.788 1.00 0.00 C ATOM 0 H THR A1023 5.643 11.460 -2.867 1.00 0.00 H new ATOM 0 HA THR A1023 6.487 9.493 -4.777 1.00 0.00 H new ATOM 0 HB THR A1023 7.940 11.044 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A1023 7.285 12.337 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A1023 10.028 10.286 -3.696 1.00 0.00 H new ATOM 0 HG22 THR A1023 9.101 8.926 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A1023 9.080 9.233 -4.773 1.00 0.00 H new ATOM 1794 N ALA A1024 6.423 8.800 -1.530 1.00 0.00 N ATOM 1795 CA ALA A1024 6.303 7.708 -0.586 1.00 0.00 C ATOM 1796 C ALA A1024 4.951 7.043 -0.743 1.00 0.00 C ATOM 1797 O ALA A1024 4.758 5.915 -0.341 1.00 0.00 O ATOM 1798 CB ALA A1024 6.492 8.209 0.831 1.00 0.00 C ATOM 0 H ALA A1024 6.334 9.727 -1.115 1.00 0.00 H new ATOM 0 HA ALA A1024 7.082 6.974 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.399 7.375 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.481 8.655 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.732 8.957 1.057 1.00 0.00 H new ATOM 1804 N ALA A1025 4.010 7.766 -1.313 1.00 0.00 N ATOM 1805 CA ALA A1025 2.724 7.202 -1.670 1.00 0.00 C ATOM 1806 C ALA A1025 2.805 6.527 -3.036 1.00 0.00 C ATOM 1807 O ALA A1025 2.016 5.641 -3.325 1.00 0.00 O ATOM 1808 CB ALA A1025 1.621 8.244 -1.613 1.00 0.00 C ATOM 0 H ALA A1025 4.113 8.755 -1.541 1.00 0.00 H new ATOM 0 HA ALA A1025 2.466 6.440 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.672 7.784 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.551 8.645 -0.602 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.847 9.052 -2.309 1.00 0.00 H new ATOM 1814 N HIS A1026 3.722 6.954 -3.893 1.00 0.00 N ATOM 1815 CA HIS A1026 4.032 6.178 -5.091 1.00 0.00 C ATOM 1816 C HIS A1026 4.934 5.006 -4.723 1.00 0.00 C ATOM 1817 O HIS A1026 4.988 4.025 -5.436 1.00 0.00 O ATOM 1818 CB HIS A1026 4.655 7.037 -6.198 1.00 0.00 C ATOM 1819 CG HIS A1026 4.836 6.306 -7.493 1.00 0.00 C ATOM 1820 ND1 HIS A1026 6.070 5.956 -7.991 1.00 0.00 N ATOM 1821 CD2 HIS A1026 3.930 5.861 -8.395 1.00 0.00 C ATOM 1822 CE1 HIS A1026 5.916 5.330 -9.142 1.00 0.00 C ATOM 1823 NE2 HIS A1026 4.628 5.259 -9.408 1.00 0.00 N ATOM 0 H HIS A1026 4.257 7.816 -3.787 1.00 0.00 H new ATOM 0 HA HIS A1026 3.096 5.794 -5.496 1.00 0.00 H new ATOM 0 HB2 HIS A1026 4.024 7.910 -6.368 1.00 0.00 H new ATOM 0 HB3 HIS A1026 5.624 7.405 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.857 5.962 -8.328 1.00 0.00 H new ATOM 0 HE1 HIS A1026 6.711 4.942 -9.761 1.00 0.00 H new ATOM 0 HE2 HIS A1026 4.217 4.826 -10.235 1.00 0.00 H new ATOM 1832 N ALA A1027 5.636 5.129 -3.609 1.00 0.00 N ATOM 1833 CA ALA A1027 6.248 3.998 -2.914 1.00 0.00 C ATOM 1834 C ALA A1027 5.173 3.136 -2.292 1.00 0.00 C ATOM 1835 O ALA A1027 5.242 1.911 -2.376 1.00 0.00 O ATOM 1836 CB ALA A1027 7.193 4.509 -1.842 1.00 0.00 C ATOM 0 H ALA A1027 5.802 6.026 -3.153 1.00 0.00 H new ATOM 0 HA ALA A1027 6.812 3.397 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.648 3.664 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.973 5.115 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.638 5.116 -1.127 1.00 0.00 H new ATOM 1842 N LEU A1028 4.181 3.758 -1.689 1.00 0.00 N ATOM 1843 CA LEU A1028 2.995 3.039 -1.277 1.00 0.00 C ATOM 1844 C LEU A1028 2.398 2.338 -2.489 1.00 0.00 C ATOM 1845 O LEU A1028 2.130 1.153 -2.441 1.00 0.00 O ATOM 1846 CB LEU A1028 1.964 3.976 -0.638 1.00 0.00 C ATOM 1847 CG LEU A1028 2.318 4.537 0.741 1.00 0.00 C ATOM 1848 CD1 LEU A1028 1.170 5.384 1.244 1.00 0.00 C ATOM 1849 CD2 LEU A1028 2.597 3.403 1.708 1.00 0.00 C ATOM 0 H LEU A1028 4.173 4.755 -1.474 1.00 0.00 H new ATOM 0 HA LEU A1028 3.273 2.303 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.797 4.814 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.019 3.439 -0.556 1.00 0.00 H new ATOM 0 HG LEU A1028 3.214 5.153 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.418 5.786 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.993 6.206 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A1028 0.271 4.772 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A1028 2.848 3.813 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A1028 1.712 2.773 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A1028 3.432 2.807 1.339 1.00 0.00 H new ATOM 1861 N ALA A1029 2.213 3.070 -3.577 1.00 0.00 N ATOM 1862 CA ALA A1029 1.731 2.490 -4.827 1.00 0.00 C ATOM 1863 C ALA A1029 2.664 1.397 -5.352 1.00 0.00 C ATOM 1864 O ALA A1029 2.204 0.341 -5.784 1.00 0.00 O ATOM 1865 CB ALA A1029 1.561 3.579 -5.876 1.00 0.00 C ATOM 0 H ALA A1029 2.390 4.074 -3.622 1.00 0.00 H new ATOM 0 HA ALA A1029 0.766 2.026 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A1029 1.201 3.136 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.840 4.316 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.520 4.066 -6.054 1.00 0.00 H new ATOM 1871 N VAL A1030 3.971 1.647 -5.304 1.00 0.00 N ATOM 1872 CA VAL A1030 4.946 0.711 -5.847 1.00 0.00 C ATOM 1873 C VAL A1030 4.963 -0.571 -5.036 1.00 0.00 C ATOM 1874 O VAL A1030 4.869 -1.668 -5.583 1.00 0.00 O ATOM 1875 CB VAL A1030 6.375 1.326 -5.885 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.449 0.243 -5.895 1.00 0.00 C ATOM 1877 CG2 VAL A1030 6.536 2.208 -7.113 1.00 0.00 C ATOM 0 H VAL A1030 4.376 2.489 -4.895 1.00 0.00 H new ATOM 0 HA VAL A1030 4.645 0.488 -6.870 1.00 0.00 H new ATOM 0 HB VAL A1030 6.499 1.926 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.434 0.708 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.360 -0.366 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A1030 7.322 -0.388 -6.775 1.00 0.00 H new ATOM 0 HG21 VAL A1030 7.540 2.632 -7.127 1.00 0.00 H new ATOM 0 HG22 VAL A1030 6.381 1.612 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.802 3.014 -7.081 1.00 0.00 H new ATOM 1887 N ASP A1031 5.084 -0.426 -3.725 1.00 0.00 N ATOM 1888 CA ASP A1031 5.143 -1.577 -2.851 1.00 0.00 C ATOM 1889 C ASP A1031 3.770 -2.206 -2.649 1.00 0.00 C ATOM 1890 O ASP A1031 3.676 -3.388 -2.420 1.00 0.00 O ATOM 1891 CB ASP A1031 5.830 -1.255 -1.525 1.00 0.00 C ATOM 1892 CG ASP A1031 7.307 -1.608 -1.558 1.00 0.00 C ATOM 1893 OD1 ASP A1031 7.678 -2.573 -2.265 1.00 0.00 O ATOM 1894 OD2 ASP A1031 8.106 -0.940 -0.866 1.00 0.00 O ATOM 0 H ASP A1031 5.143 0.474 -3.249 1.00 0.00 H new ATOM 0 HA ASP A1031 5.762 -2.323 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.714 -0.194 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A1031 5.342 -1.804 -0.720 1.00 0.00 H new ATOM 1899 N ALA A1032 2.702 -1.432 -2.725 1.00 0.00 N ATOM 1900 CA ALA A1032 1.361 -2.023 -2.704 1.00 0.00 C ATOM 1901 C ALA A1032 1.137 -2.833 -3.970 1.00 0.00 C ATOM 1902 O ALA A1032 0.376 -3.792 -3.964 1.00 0.00 O ATOM 1903 CB ALA A1032 0.267 -0.982 -2.537 1.00 0.00 C ATOM 0 H ALA A1032 2.726 -0.415 -2.800 1.00 0.00 H new ATOM 0 HA ALA A1032 1.305 -2.678 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.705 -1.474 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A1032 0.412 -0.449 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.308 -0.275 -3.366 1.00 0.00 H new ATOM 1909 N LYS A1033 1.812 -2.463 -5.044 1.00 0.00 N ATOM 1910 CA LYS A1033 1.873 -3.317 -6.215 1.00 0.00 C ATOM 1911 C LYS A1033 2.735 -4.536 -5.889 1.00 0.00 C ATOM 1912 O LYS A1033 2.320 -5.676 -6.069 1.00 0.00 O ATOM 1913 CB LYS A1033 2.468 -2.546 -7.405 1.00 0.00 C ATOM 1914 CG LYS A1033 2.276 -3.235 -8.755 1.00 0.00 C ATOM 1915 CD LYS A1033 3.220 -4.417 -8.939 1.00 0.00 C ATOM 1916 CE LYS A1033 2.955 -5.158 -10.243 1.00 0.00 C ATOM 1917 NZ LYS A1033 3.815 -6.365 -10.388 1.00 0.00 N ATOM 0 H LYS A1033 2.322 -1.584 -5.129 1.00 0.00 H new ATOM 0 HA LYS A1033 0.868 -3.640 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A1033 2.013 -1.556 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.534 -2.400 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A1033 1.245 -3.579 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A1033 2.440 -2.514 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS A1033 4.251 -4.064 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.108 -5.105 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A1033 1.907 -5.454 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A1033 3.130 -4.486 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.846 -6.651 -11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 4.778 -6.147 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 3.423 -7.141 -9.818 1.00 0.00 H new ATOM 1931 N ASN A1034 3.933 -4.254 -5.379 1.00 0.00 N ATOM 1932 CA ASN A1034 4.952 -5.273 -5.105 1.00 0.00 C ATOM 1933 C ASN A1034 4.507 -6.276 -4.044 1.00 0.00 C ATOM 1934 O ASN A1034 4.491 -7.472 -4.292 1.00 0.00 O ATOM 1935 CB ASN A1034 6.239 -4.585 -4.646 1.00 0.00 C ATOM 1936 CG ASN A1034 7.345 -5.559 -4.287 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.476 -6.628 -4.883 1.00 0.00 O ATOM 1938 ND2 ASN A1034 8.145 -5.190 -3.302 1.00 0.00 N ATOM 0 H ASN A1034 4.228 -3.307 -5.142 1.00 0.00 H new ATOM 0 HA ASN A1034 5.117 -5.829 -6.028 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.590 -3.922 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A1034 6.020 -3.960 -3.780 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.908 -5.801 -3.008 1.00 0.00 H new ATOM 0 HD22 ASN A1034 8.000 -4.295 -2.835 1.00 0.00 H new ATOM 1945 N LEU A1035 4.150 -5.781 -2.866 1.00 0.00 N ATOM 1946 CA LEU A1035 3.710 -6.630 -1.772 1.00 0.00 C ATOM 1947 C LEU A1035 2.470 -7.417 -2.171 1.00 0.00 C ATOM 1948 O LEU A1035 2.307 -8.563 -1.757 1.00 0.00 O ATOM 1949 CB LEU A1035 3.432 -5.829 -0.496 1.00 0.00 C ATOM 1950 CG LEU A1035 4.667 -5.417 0.309 1.00 0.00 C ATOM 1951 CD1 LEU A1035 5.910 -6.129 -0.201 1.00 0.00 C ATOM 1952 CD2 LEU A1035 4.847 -3.913 0.282 1.00 0.00 C ATOM 0 H LEU A1035 4.158 -4.785 -2.645 1.00 0.00 H new ATOM 0 HA LEU A1035 4.524 -7.323 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.880 -4.929 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A1035 2.781 -6.420 0.148 1.00 0.00 H new ATOM 0 HG LEU A1035 4.514 -5.718 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A1035 6.774 -5.819 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A1035 5.776 -7.207 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A1035 6.073 -5.872 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A1035 5.730 -3.642 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A1035 4.971 -3.580 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A1035 3.969 -3.434 0.715 1.00 0.00 H new ATOM 1964 N LEU A1036 1.582 -6.814 -2.961 1.00 0.00 N ATOM 1965 CA LEU A1036 0.398 -7.545 -3.375 1.00 0.00 C ATOM 1966 C LEU A1036 0.823 -8.680 -4.305 1.00 0.00 C ATOM 1967 O LEU A1036 0.408 -9.826 -4.156 1.00 0.00 O ATOM 1968 CB LEU A1036 -0.597 -6.568 -4.011 1.00 0.00 C ATOM 1969 CG LEU A1036 -1.740 -7.133 -4.859 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -2.739 -6.031 -5.093 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -1.264 -7.650 -6.212 1.00 0.00 C ATOM 0 H LEU A1036 1.658 -5.860 -3.313 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.112 -8.002 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.041 -5.978 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -0.030 -5.879 -4.637 1.00 0.00 H new ATOM 0 HG LEU A1036 -2.176 -7.974 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -3.564 -6.410 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -3.122 -5.677 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.255 -5.207 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -2.114 -8.039 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -0.803 -6.836 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -0.534 -8.445 -6.061 1.00 0.00 H new ATOM 1983 N ASP A1037 1.678 -8.303 -5.265 1.00 0.00 N ATOM 1984 CA ASP A1037 2.359 -9.219 -6.178 1.00 0.00 C ATOM 1985 C ASP A1037 3.044 -10.326 -5.389 1.00 0.00 C ATOM 1986 O ASP A1037 3.223 -11.427 -5.871 1.00 0.00 O ATOM 1987 CB ASP A1037 3.409 -8.422 -6.973 1.00 0.00 C ATOM 1988 CG ASP A1037 4.057 -9.182 -8.117 1.00 0.00 C ATOM 1989 OD1 ASP A1037 4.973 -9.998 -7.866 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.698 -8.913 -9.285 1.00 0.00 O ATOM 0 H ASP A1037 1.919 -7.325 -5.429 1.00 0.00 H new ATOM 0 HA ASP A1037 1.637 -9.671 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.936 -7.525 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A1037 4.189 -8.092 -6.287 1.00 0.00 H new ATOM 1995 N VAL A1038 3.419 -9.995 -4.163 1.00 0.00 N ATOM 1996 CA VAL A1038 4.059 -10.921 -3.238 1.00 0.00 C ATOM 1997 C VAL A1038 3.060 -11.917 -2.651 1.00 0.00 C ATOM 1998 O VAL A1038 3.437 -13.031 -2.331 1.00 0.00 O ATOM 1999 CB VAL A1038 4.807 -10.151 -2.114 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.167 -11.055 -0.947 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.067 -9.512 -2.673 1.00 0.00 C ATOM 0 H VAL A1038 3.286 -9.061 -3.776 1.00 0.00 H new ATOM 0 HA VAL A1038 4.792 -11.495 -3.804 1.00 0.00 H new ATOM 0 HB VAL A1038 4.133 -9.379 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.688 -10.475 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.258 -11.479 -0.521 1.00 0.00 H new ATOM 0 HG13 VAL A1038 5.814 -11.860 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.585 -8.974 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.721 -10.287 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A1038 5.800 -8.816 -3.468 1.00 0.00 H new ATOM 2011 N ILE A1039 1.801 -11.530 -2.506 1.00 0.00 N ATOM 2012 CA ILE A1039 0.757 -12.485 -2.112 1.00 0.00 C ATOM 2013 C ILE A1039 0.186 -13.214 -3.313 1.00 0.00 C ATOM 2014 O ILE A1039 -0.151 -14.397 -3.222 1.00 0.00 O ATOM 2015 CB ILE A1039 -0.362 -11.826 -1.273 1.00 0.00 C ATOM 2016 CG1 ILE A1039 0.107 -11.702 0.169 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -1.670 -12.612 -1.340 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.084 -10.573 0.405 1.00 0.00 C ATOM 0 H ILE A1039 1.473 -10.575 -2.651 1.00 0.00 H new ATOM 0 HA ILE A1039 1.239 -13.223 -1.471 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.564 -10.839 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.762 -11.557 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A1039 0.573 -12.640 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -2.427 -12.112 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -2.009 -12.666 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -1.509 -13.620 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.369 -10.553 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A1039 1.972 -10.726 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A1039 0.617 -9.625 0.137 1.00 0.00 H new ATOM 2030 N ASP A1040 0.091 -12.538 -4.431 1.00 0.00 N ATOM 2031 CA ASP A1040 -0.178 -13.219 -5.681 1.00 0.00 C ATOM 2032 C ASP A1040 0.949 -14.232 -5.934 1.00 0.00 C ATOM 2033 O ASP A1040 0.697 -15.392 -6.296 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.322 -12.200 -6.816 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.702 -11.562 -6.856 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -2.050 -10.825 -5.916 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -2.459 -11.821 -7.824 1.00 0.00 O ATOM 0 H ASP A1040 0.194 -11.526 -4.506 1.00 0.00 H new ATOM 0 HA ASP A1040 -1.121 -13.763 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A1040 0.431 -11.421 -6.698 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -0.125 -12.692 -7.769 1.00 0.00 H new ATOM 2042 N GLN A1041 2.182 -13.798 -5.679 1.00 0.00 N ATOM 2043 CA GLN A1041 3.336 -14.687 -5.629 1.00 0.00 C ATOM 2044 C GLN A1041 3.119 -15.756 -4.574 1.00 0.00 C ATOM 2045 O GLN A1041 3.168 -16.938 -4.864 1.00 0.00 O ATOM 2046 CB GLN A1041 4.596 -13.905 -5.240 1.00 0.00 C ATOM 2047 CG GLN A1041 5.639 -13.770 -6.329 1.00 0.00 C ATOM 2048 CD GLN A1041 6.766 -12.855 -5.904 1.00 0.00 C ATOM 2049 OE1 GLN A1041 7.745 -13.295 -5.305 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.631 -11.571 -6.200 1.00 0.00 N ATOM 0 H GLN A1041 2.407 -12.819 -5.501 1.00 0.00 H new ATOM 0 HA GLN A1041 3.458 -15.135 -6.615 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.299 -12.907 -4.919 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.055 -14.393 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A1041 6.040 -14.753 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A1041 5.174 -13.380 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.802 -11.247 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.356 -10.906 -5.929 1.00 0.00 H new ATOM 2059 N ALA A1042 2.821 -15.305 -3.357 1.00 0.00 N ATOM 2060 CA ALA A1042 2.775 -16.154 -2.181 1.00 0.00 C ATOM 2061 C ALA A1042 1.884 -17.341 -2.388 1.00 0.00 C ATOM 2062 O ALA A1042 2.263 -18.468 -2.106 1.00 0.00 O ATOM 2063 CB ALA A1042 2.247 -15.360 -1.001 1.00 0.00 C ATOM 0 H ALA A1042 2.603 -14.327 -3.164 1.00 0.00 H new ATOM 0 HA ALA A1042 3.789 -16.506 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A1042 2.213 -15.999 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A1042 2.904 -14.512 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A1042 1.244 -14.998 -1.226 1.00 0.00 H new ATOM 2069 N ARG A1043 0.706 -17.099 -2.911 1.00 0.00 N ATOM 2070 CA ARG A1043 -0.267 -18.146 -2.994 1.00 0.00 C ATOM 2071 C ARG A1043 0.180 -19.221 -3.986 1.00 0.00 C ATOM 2072 O ARG A1043 0.155 -20.407 -3.666 1.00 0.00 O ATOM 2073 CB ARG A1043 -1.647 -17.579 -3.344 1.00 0.00 C ATOM 2074 CG ARG A1043 -1.675 -16.701 -4.587 1.00 0.00 C ATOM 2075 CD ARG A1043 -3.070 -16.162 -4.852 1.00 0.00 C ATOM 2076 NE ARG A1043 -3.446 -15.130 -3.885 1.00 0.00 N ATOM 2077 CZ ARG A1043 -4.692 -14.918 -3.449 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -5.682 -15.719 -3.829 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.943 -13.908 -2.623 1.00 0.00 N ATOM 0 H ARG A1043 0.406 -16.196 -3.279 1.00 0.00 H new ATOM 0 HA ARG A1043 -0.352 -18.621 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -2.341 -18.408 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -2.012 -16.998 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -0.980 -15.871 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -1.335 -17.276 -5.448 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -3.115 -15.750 -5.860 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.790 -16.979 -4.810 1.00 0.00 H new ATOM 0 HE ARG A1043 -2.706 -14.531 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -5.493 -16.501 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -6.631 -15.552 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.185 -13.295 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -5.893 -13.746 -2.290 1.00 0.00 H new ATOM 2093 N LEU A1044 0.640 -18.814 -5.170 1.00 0.00 N ATOM 2094 CA LEU A1044 1.055 -19.791 -6.173 1.00 0.00 C ATOM 2095 C LEU A1044 2.465 -20.325 -5.907 1.00 0.00 C ATOM 2096 O LEU A1044 2.752 -21.483 -6.186 1.00 0.00 O ATOM 2097 CB LEU A1044 0.967 -19.203 -7.579 1.00 0.00 C ATOM 2098 CG LEU A1044 -0.450 -18.899 -8.064 1.00 0.00 C ATOM 2099 CD1 LEU A1044 -0.432 -18.501 -9.528 1.00 0.00 C ATOM 2100 CD2 LEU A1044 -1.364 -20.097 -7.851 1.00 0.00 C ATOM 0 H LEU A1044 0.733 -17.838 -5.452 1.00 0.00 H new ATOM 0 HA LEU A1044 0.365 -20.632 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A1044 1.550 -18.283 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A1044 1.433 -19.898 -8.277 1.00 0.00 H new ATOM 0 HG LEU A1044 -0.840 -18.066 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -1.448 -18.287 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A1044 0.186 -17.612 -9.656 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -0.021 -19.317 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -2.367 -19.857 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -0.979 -20.952 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -1.402 -20.342 -6.789 1.00 0.00 H new