USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=27 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 -122:sc= -7.89! (180deg=-12.4!) USER MOD Set 1.2: A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 928 ASN : amide:sc= -2.59 K(o=-1.7,f=-2.8) USER MOD Set 2.2: A 968 THR OG1 : rot 41:sc= 0.88 USER MOD Set 3.1: A 954 MET CE :methyl 161:sc= -0.954 (180deg=-2.11!) USER MOD Set 3.2: A1018 LYS NZ :NH3+ -151:sc= -0.452 (180deg=-1.05) USER MOD Single : A 924 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.29) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 180:sc= 0 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 157:sc= 0 (180deg=-0.286) USER MOD Single : A 940 SER OG : rot 103:sc= 0.571 USER MOD Single : A 951 TYR OH : rot 90:sc= -0.144 USER MOD Single : A 956 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.232) USER MOD Single : A 964 THR OG1 : rot 91:sc= 1.14 USER MOD Single : A 972 SER OG : rot 92:sc= 1.28 USER MOD Single : A 980 THR OG1 : rot 30:sc= -1.93! USER MOD Single : A 981 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.61) USER MOD Single : A 986 MET CE :methyl 156:sc= -0.192 (180deg=-0.828) USER MOD Single : A 988 GLN : amide:sc= -8.27! C(o=-8.3!,f=-1.8!) USER MOD Single : A 989 LYS NZ :NH3+ -169:sc= -0.0339 (180deg=-0.255) USER MOD Single : A 992 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.4!) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A1001 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.705) USER MOD Single : A1006 GLN : amide:sc= -0.129 K(o=-0.13,f=-3.9!) USER MOD Single : A1007 GLN : amide:sc= -6.59! C(o=-6.6!,f=-1.7!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1010 MET CE :methyl 159:sc= -0.185 (180deg=-0.813) USER MOD Single : A1011 THR OG1 : rot -22:sc= 0.728 USER MOD Single : A1012 SER OG : rot 180:sc= 0.122 USER MOD Single : A1014 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.3) USER MOD Single : A1015 GLN : amide:sc= -2.06! K(o=-2.1!,f=-0.2) USER MOD Single : A1017 TYR OH : rot 30:sc= -0.158 USER MOD Single : A1019 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0315) USER MOD Single : A1020 GLN : amide:sc= -6.5! C(o=-6.5!,f=-7.8!) USER MOD Single : A1021 MET CE :methyl -177:sc= -0.685 (180deg=-0.702) USER MOD Single : A1023 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A1033 LYS NZ :NH3+ -166:sc= -0.0526 (180deg=-0.265) USER MOD Single : A1034 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A1041 GLN : amide:sc= 1.03 K(o=1,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 179 N LYS A 924 -8.176 -9.201 -4.369 1.00 0.00 N ATOM 180 CA LYS A 924 -8.726 -8.380 -3.312 1.00 0.00 C ATOM 181 C LYS A 924 -7.707 -7.371 -2.812 1.00 0.00 C ATOM 182 O LYS A 924 -8.028 -6.203 -2.595 1.00 0.00 O ATOM 183 CB LYS A 924 -9.240 -9.223 -2.178 1.00 0.00 C ATOM 184 CG LYS A 924 -10.651 -9.723 -2.401 1.00 0.00 C ATOM 185 CD LYS A 924 -11.608 -8.553 -2.528 1.00 0.00 C ATOM 186 CE LYS A 924 -12.991 -8.997 -2.960 1.00 0.00 C ATOM 187 NZ LYS A 924 -13.933 -7.851 -3.043 1.00 0.00 N ATOM 0 HA LYS A 924 -9.568 -7.829 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -8.577 -10.076 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -9.209 -8.641 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -10.690 -10.333 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -10.954 -10.361 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -11.676 -8.034 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -11.214 -7.839 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -12.929 -9.489 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -13.374 -9.733 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -14.873 -8.194 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -13.998 -7.387 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -13.588 -7.168 -3.748 1.00 0.00 H new ATOM 201 N VAL A 925 -6.475 -7.821 -2.650 1.00 0.00 N ATOM 202 CA VAL A 925 -5.407 -6.964 -2.156 1.00 0.00 C ATOM 203 C VAL A 925 -5.160 -5.793 -3.116 1.00 0.00 C ATOM 204 O VAL A 925 -4.901 -4.670 -2.699 1.00 0.00 O ATOM 205 CB VAL A 925 -4.114 -7.778 -1.935 1.00 0.00 C ATOM 206 CG1 VAL A 925 -4.282 -8.740 -0.768 1.00 0.00 C ATOM 207 CG2 VAL A 925 -3.747 -8.552 -3.193 1.00 0.00 C ATOM 0 H VAL A 925 -6.187 -8.778 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 925 -5.717 -6.552 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.309 -7.080 -1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -3.361 -9.305 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -4.505 -8.177 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -5.101 -9.428 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -2.833 -9.119 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.556 -9.237 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -3.589 -7.855 -4.016 1.00 0.00 H new ATOM 217 N TYR A 926 -5.313 -6.059 -4.400 1.00 0.00 N ATOM 218 CA TYR A 926 -5.172 -5.049 -5.447 1.00 0.00 C ATOM 219 C TYR A 926 -6.401 -4.154 -5.541 1.00 0.00 C ATOM 220 O TYR A 926 -6.263 -3.010 -5.958 1.00 0.00 O ATOM 221 CB TYR A 926 -4.900 -5.699 -6.819 1.00 0.00 C ATOM 222 CG TYR A 926 -6.044 -5.518 -7.788 1.00 0.00 C ATOM 223 CD1 TYR A 926 -7.150 -6.321 -7.694 1.00 0.00 C ATOM 224 CD2 TYR A 926 -6.043 -4.515 -8.746 1.00 0.00 C ATOM 225 CE1 TYR A 926 -8.240 -6.158 -8.504 1.00 0.00 C ATOM 226 CE2 TYR A 926 -7.128 -4.338 -9.584 1.00 0.00 C ATOM 227 CZ TYR A 926 -8.233 -5.164 -9.458 1.00 0.00 C ATOM 228 OH TYR A 926 -9.329 -4.988 -10.273 1.00 0.00 O ATOM 0 H TYR A 926 -5.541 -6.988 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 926 -4.317 -4.432 -5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -3.995 -5.268 -7.247 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -4.712 -6.764 -6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -7.162 -7.109 -6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -5.185 -3.865 -8.838 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -9.099 -6.803 -8.397 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -7.114 -3.560 -10.333 1.00 0.00 H new ATOM 0 HH TYR A 926 -9.162 -4.245 -10.889 1.00 0.00 H new ATOM 238 N GLU A 927 -7.585 -4.602 -5.170 1.00 0.00 N ATOM 239 CA GLU A 927 -8.718 -3.692 -5.257 1.00 0.00 C ATOM 240 C GLU A 927 -8.662 -2.689 -4.114 1.00 0.00 C ATOM 241 O GLU A 927 -9.214 -1.594 -4.210 1.00 0.00 O ATOM 242 CB GLU A 927 -10.066 -4.380 -5.316 1.00 0.00 C ATOM 243 CG GLU A 927 -10.478 -4.907 -3.973 1.00 0.00 C ATOM 244 CD GLU A 927 -11.949 -5.259 -3.904 1.00 0.00 C ATOM 245 OE1 GLU A 927 -12.363 -6.232 -4.564 1.00 0.00 O ATOM 246 OE2 GLU A 927 -12.702 -4.561 -3.194 1.00 0.00 O ATOM 0 H GLU A 927 -7.787 -5.539 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 927 -8.625 -3.173 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -10.817 -3.678 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.025 -5.201 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -9.886 -5.792 -3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.252 -4.161 -3.211 1.00 0.00 H new ATOM 253 N ASN A 928 -7.994 -3.050 -3.040 1.00 0.00 N ATOM 254 CA ASN A 928 -7.736 -2.117 -1.960 1.00 0.00 C ATOM 255 C ASN A 928 -6.613 -1.154 -2.351 1.00 0.00 C ATOM 256 O ASN A 928 -6.577 -0.004 -1.918 1.00 0.00 O ATOM 257 CB ASN A 928 -7.465 -2.885 -0.686 1.00 0.00 C ATOM 258 CG ASN A 928 -8.727 -3.612 -0.285 1.00 0.00 C ATOM 259 OD1 ASN A 928 -9.832 -3.084 -0.430 1.00 0.00 O ATOM 260 ND2 ASN A 928 -8.589 -4.837 0.143 1.00 0.00 N ATOM 0 H ASN A 928 -7.618 -3.986 -2.889 1.00 0.00 H new ATOM 0 HA ASN A 928 -8.612 -1.496 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.651 -3.594 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -7.152 -2.205 0.106 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -9.413 -5.393 0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -7.657 -5.238 0.250 1.00 0.00 H new ATOM 267 N VAL A 929 -5.712 -1.638 -3.205 1.00 0.00 N ATOM 268 CA VAL A 929 -4.624 -0.815 -3.753 1.00 0.00 C ATOM 269 C VAL A 929 -5.092 0.023 -4.939 1.00 0.00 C ATOM 270 O VAL A 929 -4.600 1.138 -5.105 1.00 0.00 O ATOM 271 CB VAL A 929 -3.378 -1.629 -4.162 1.00 0.00 C ATOM 272 CG1 VAL A 929 -2.306 -0.716 -4.740 1.00 0.00 C ATOM 273 CG2 VAL A 929 -2.831 -2.410 -2.983 1.00 0.00 C ATOM 0 H VAL A 929 -5.711 -2.603 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 929 -4.331 -0.157 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.677 -2.340 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.436 -1.309 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.698 -0.206 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.015 0.022 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.953 -2.975 -3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.552 -1.720 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.593 -3.097 -2.617 1.00 0.00 H new ATOM 283 N THR A 930 -6.034 -0.429 -5.744 1.00 0.00 N ATOM 284 CA THR A 930 -6.581 0.468 -6.750 1.00 0.00 C ATOM 285 C THR A 930 -7.250 1.635 -6.024 1.00 0.00 C ATOM 286 O THR A 930 -7.295 2.763 -6.517 1.00 0.00 O ATOM 287 CB THR A 930 -7.572 -0.232 -7.712 1.00 0.00 C ATOM 288 OG1 THR A 930 -7.767 0.583 -8.875 1.00 0.00 O ATOM 289 CG2 THR A 930 -8.920 -0.493 -7.056 1.00 0.00 C ATOM 0 H THR A 930 -6.425 -1.371 -5.728 1.00 0.00 H new ATOM 0 HA THR A 930 -5.767 0.822 -7.383 1.00 0.00 H new ATOM 0 HB THR A 930 -7.139 -1.194 -7.985 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.393 0.139 -9.484 1.00 0.00 H new ATOM 0 HG21 THR A 930 -9.582 -0.985 -7.768 1.00 0.00 H new ATOM 0 HG22 THR A 930 -8.783 -1.134 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.362 0.453 -6.744 1.00 0.00 H new ATOM 297 N GLY A 931 -7.735 1.331 -4.822 1.00 0.00 N ATOM 298 CA GLY A 931 -8.244 2.345 -3.929 1.00 0.00 C ATOM 299 C GLY A 931 -7.150 3.245 -3.355 1.00 0.00 C ATOM 300 O GLY A 931 -7.245 4.469 -3.453 1.00 0.00 O ATOM 0 H GLY A 931 -7.782 0.382 -4.451 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.969 2.960 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -8.777 1.864 -3.109 1.00 0.00 H new ATOM 304 N LEU A 932 -6.099 2.651 -2.768 1.00 0.00 N ATOM 305 CA LEU A 932 -5.025 3.444 -2.153 1.00 0.00 C ATOM 306 C LEU A 932 -4.291 4.330 -3.161 1.00 0.00 C ATOM 307 O LEU A 932 -4.106 5.520 -2.918 1.00 0.00 O ATOM 308 CB LEU A 932 -4.036 2.546 -1.364 1.00 0.00 C ATOM 309 CG LEU A 932 -2.969 1.756 -2.128 1.00 0.00 C ATOM 310 CD1 LEU A 932 -1.736 2.610 -2.399 1.00 0.00 C ATOM 311 CD2 LEU A 932 -2.579 0.528 -1.324 1.00 0.00 C ATOM 0 H LEU A 932 -5.971 1.641 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 932 -5.507 4.116 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.520 3.181 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -4.627 1.830 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 932 -3.386 1.454 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.998 2.021 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.018 3.478 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.309 2.943 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -1.820 -0.036 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.181 0.837 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.456 -0.100 -1.170 1.00 0.00 H new ATOM 323 N VAL A 933 -3.890 3.752 -4.301 1.00 0.00 N ATOM 324 CA VAL A 933 -3.137 4.496 -5.315 1.00 0.00 C ATOM 325 C VAL A 933 -3.965 5.658 -5.814 1.00 0.00 C ATOM 326 O VAL A 933 -3.470 6.778 -6.004 1.00 0.00 O ATOM 327 CB VAL A 933 -2.762 3.619 -6.533 1.00 0.00 C ATOM 328 CG1 VAL A 933 -1.942 4.412 -7.541 1.00 0.00 C ATOM 329 CG2 VAL A 933 -2.011 2.372 -6.104 1.00 0.00 C ATOM 0 H VAL A 933 -4.074 2.778 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 933 -2.219 4.839 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 933 -3.690 3.307 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -1.691 3.774 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -2.522 5.267 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -1.026 4.764 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -1.762 1.777 -6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -1.095 2.659 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -2.636 1.783 -5.433 1.00 0.00 H new ATOM 339 N LYS A 934 -5.241 5.380 -6.017 1.00 0.00 N ATOM 340 CA LYS A 934 -6.168 6.396 -6.468 1.00 0.00 C ATOM 341 C LYS A 934 -6.114 7.610 -5.545 1.00 0.00 C ATOM 342 O LYS A 934 -6.044 8.736 -6.019 1.00 0.00 O ATOM 343 CB LYS A 934 -7.592 5.847 -6.546 1.00 0.00 C ATOM 344 CG LYS A 934 -8.634 6.901 -6.887 1.00 0.00 C ATOM 345 CD LYS A 934 -10.048 6.378 -6.699 1.00 0.00 C ATOM 346 CE LYS A 934 -10.340 5.208 -7.621 1.00 0.00 C ATOM 347 NZ LYS A 934 -11.715 4.685 -7.420 1.00 0.00 N ATOM 0 H LYS A 934 -5.656 4.459 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 934 -5.871 6.704 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -7.627 5.057 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -7.849 5.390 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -8.484 7.778 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -8.500 7.224 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -10.187 6.069 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -10.761 7.180 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.217 5.521 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.617 4.412 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.881 3.887 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.824 4.364 -6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.405 5.438 -7.616 1.00 0.00 H new ATOM 361 N ALA A 935 -6.075 7.382 -4.236 1.00 0.00 N ATOM 362 CA ALA A 935 -6.097 8.480 -3.279 1.00 0.00 C ATOM 363 C ALA A 935 -4.818 9.314 -3.334 1.00 0.00 C ATOM 364 O ALA A 935 -4.859 10.521 -3.103 1.00 0.00 O ATOM 365 CB ALA A 935 -6.314 7.951 -1.866 1.00 0.00 C ATOM 0 H ALA A 935 -6.028 6.453 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.928 9.130 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -6.328 8.784 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -7.265 7.420 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.505 7.269 -1.604 1.00 0.00 H new ATOM 371 N VAL A 936 -3.689 8.682 -3.657 1.00 0.00 N ATOM 372 CA VAL A 936 -2.401 9.377 -3.628 1.00 0.00 C ATOM 373 C VAL A 936 -2.384 10.544 -4.617 1.00 0.00 C ATOM 374 O VAL A 936 -2.220 11.690 -4.220 1.00 0.00 O ATOM 375 CB VAL A 936 -1.199 8.421 -3.856 1.00 0.00 C ATOM 376 CG1 VAL A 936 -1.377 7.152 -3.041 1.00 0.00 C ATOM 377 CG2 VAL A 936 -0.945 8.078 -5.310 1.00 0.00 C ATOM 0 H VAL A 936 -3.639 7.703 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 936 -2.284 9.782 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 936 -0.317 8.965 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -0.528 6.489 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -1.436 7.405 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -2.295 6.650 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -0.089 7.407 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -1.825 7.590 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -0.737 8.991 -5.868 1.00 0.00 H new ATOM 387 N ILE A 937 -2.640 10.257 -5.881 1.00 0.00 N ATOM 388 CA ILE A 937 -2.625 11.268 -6.937 1.00 0.00 C ATOM 389 C ILE A 937 -3.901 12.093 -6.928 1.00 0.00 C ATOM 390 O ILE A 937 -3.867 13.337 -7.048 1.00 0.00 O ATOM 391 CB ILE A 937 -2.450 10.619 -8.331 1.00 0.00 C ATOM 392 CG1 ILE A 937 -3.367 9.397 -8.487 1.00 0.00 C ATOM 393 CG2 ILE A 937 -0.998 10.237 -8.557 1.00 0.00 C ATOM 394 CD1 ILE A 937 -3.237 8.695 -9.822 1.00 0.00 C ATOM 0 H ILE A 937 -2.865 9.318 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 937 -1.776 11.922 -6.738 1.00 0.00 H new ATOM 0 HB ILE A 937 -2.736 11.350 -9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -3.146 8.686 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -4.402 9.713 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -0.891 9.782 -9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -0.374 11.129 -8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -0.686 9.526 -7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -3.917 7.844 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -3.488 9.389 -10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -2.212 8.346 -9.951 1.00 0.00 H new ATOM 406 N GLU A 938 -5.012 11.421 -6.704 1.00 0.00 N ATOM 407 CA GLU A 938 -6.313 12.064 -6.842 1.00 0.00 C ATOM 408 C GLU A 938 -6.462 13.140 -5.795 1.00 0.00 C ATOM 409 O GLU A 938 -6.792 14.281 -6.106 1.00 0.00 O ATOM 410 CB GLU A 938 -7.457 11.060 -6.731 1.00 0.00 C ATOM 411 CG GLU A 938 -8.834 11.692 -6.800 1.00 0.00 C ATOM 412 CD GLU A 938 -9.941 10.663 -6.828 1.00 0.00 C ATOM 413 OE1 GLU A 938 -10.267 10.174 -7.933 1.00 0.00 O ATOM 414 OE2 GLU A 938 -10.491 10.341 -5.758 1.00 0.00 O ATOM 0 H GLU A 938 -5.046 10.440 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 938 -6.364 12.509 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.363 10.327 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.363 10.518 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.973 12.348 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.900 12.316 -7.691 1.00 0.00 H new ATOM 421 N MET A 939 -6.169 12.790 -4.558 1.00 0.00 N ATOM 422 CA MET A 939 -6.297 13.738 -3.478 1.00 0.00 C ATOM 423 C MET A 939 -5.201 14.789 -3.556 1.00 0.00 C ATOM 424 O MET A 939 -5.408 15.908 -3.112 1.00 0.00 O ATOM 425 CB MET A 939 -6.284 13.042 -2.120 1.00 0.00 C ATOM 426 CG MET A 939 -7.503 12.169 -1.872 1.00 0.00 C ATOM 427 SD MET A 939 -9.043 13.110 -1.859 1.00 0.00 S ATOM 428 CE MET A 939 -10.241 11.800 -1.591 1.00 0.00 C ATOM 0 H MET A 939 -5.844 11.864 -4.281 1.00 0.00 H new ATOM 0 HA MET A 939 -7.261 14.235 -3.584 1.00 0.00 H new ATOM 0 HB2 MET A 939 -5.386 12.428 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 939 -6.222 13.796 -1.335 1.00 0.00 H new ATOM 0 HG2 MET A 939 -7.558 11.401 -2.644 1.00 0.00 H new ATOM 0 HG3 MET A 939 -7.388 11.655 -0.918 1.00 0.00 H new ATOM 0 HE1 MET A 939 -11.150 12.220 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 939 -10.477 11.323 -2.542 1.00 0.00 H new ATOM 0 HE3 MET A 939 -9.824 11.060 -0.908 1.00 0.00 H new ATOM 438 N SER A 940 -4.055 14.440 -4.164 1.00 0.00 N ATOM 439 CA SER A 940 -2.913 15.357 -4.213 1.00 0.00 C ATOM 440 C SER A 940 -3.323 16.725 -4.720 1.00 0.00 C ATOM 441 O SER A 940 -2.895 17.748 -4.202 1.00 0.00 O ATOM 442 CB SER A 940 -1.799 14.820 -5.114 1.00 0.00 C ATOM 443 OG SER A 940 -1.022 13.858 -4.434 1.00 0.00 O ATOM 0 H SER A 940 -3.899 13.542 -4.621 1.00 0.00 H new ATOM 0 HA SER A 940 -2.544 15.442 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 940 -2.233 14.376 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 940 -1.163 15.642 -5.442 1.00 0.00 H new ATOM 0 HG SER A 940 -1.277 12.960 -4.734 1.00 0.00 H new ATOM 600 N TYR A 951 -3.124 17.160 4.578 1.00 0.00 N ATOM 601 CA TYR A 951 -2.484 15.895 4.202 1.00 0.00 C ATOM 602 C TYR A 951 -3.001 14.674 4.965 1.00 0.00 C ATOM 603 O TYR A 951 -3.425 13.705 4.340 1.00 0.00 O ATOM 604 CB TYR A 951 -0.970 16.052 4.273 1.00 0.00 C ATOM 605 CG TYR A 951 -0.516 17.099 3.286 1.00 0.00 C ATOM 606 CD1 TYR A 951 -0.848 16.980 1.948 1.00 0.00 C ATOM 607 CD2 TYR A 951 0.195 18.222 3.678 1.00 0.00 C ATOM 608 CE1 TYR A 951 -0.487 17.946 1.037 1.00 0.00 C ATOM 609 CE2 TYR A 951 0.561 19.186 2.761 1.00 0.00 C ATOM 610 CZ TYR A 951 0.219 19.042 1.447 1.00 0.00 C ATOM 611 OH TYR A 951 0.580 19.997 0.534 1.00 0.00 O ATOM 0 HA TYR A 951 -2.766 15.680 3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.672 16.337 5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.486 15.100 4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -1.400 16.114 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.467 18.344 4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -0.762 17.838 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 951 1.118 20.054 3.082 1.00 0.00 H new ATOM 0 HH TYR A 951 -0.125 20.675 0.473 1.00 0.00 H new ATOM 621 N VAL A 952 -2.981 14.723 6.286 1.00 0.00 N ATOM 622 CA VAL A 952 -3.557 13.676 7.125 1.00 0.00 C ATOM 623 C VAL A 952 -4.929 13.213 6.607 1.00 0.00 C ATOM 624 O VAL A 952 -5.163 12.021 6.516 1.00 0.00 O ATOM 625 CB VAL A 952 -3.712 14.146 8.590 1.00 0.00 C ATOM 626 CG1 VAL A 952 -4.139 12.990 9.481 1.00 0.00 C ATOM 627 CG2 VAL A 952 -2.422 14.774 9.101 1.00 0.00 C ATOM 0 H VAL A 952 -2.564 15.491 6.812 1.00 0.00 H new ATOM 0 HA VAL A 952 -2.861 12.838 7.083 1.00 0.00 H new ATOM 0 HB VAL A 952 -4.491 14.908 8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 952 -4.243 13.341 10.508 1.00 0.00 H new ATOM 0 HG12 VAL A 952 -5.094 12.597 9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 952 -3.386 12.203 9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 952 -2.558 15.096 10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 952 -1.617 14.041 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 952 -2.167 15.635 8.483 1.00 0.00 H new ATOM 637 N PRO A 953 -5.865 14.137 6.288 1.00 0.00 N ATOM 638 CA PRO A 953 -7.188 13.781 5.752 1.00 0.00 C ATOM 639 C PRO A 953 -7.143 12.760 4.601 1.00 0.00 C ATOM 640 O PRO A 953 -7.864 11.763 4.608 1.00 0.00 O ATOM 641 CB PRO A 953 -7.710 15.140 5.283 1.00 0.00 C ATOM 642 CG PRO A 953 -7.188 16.054 6.313 1.00 0.00 C ATOM 643 CD PRO A 953 -5.775 15.591 6.525 1.00 0.00 C ATOM 0 HA PRO A 953 -7.816 13.281 6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -7.342 15.395 4.289 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -8.799 15.162 5.235 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -7.223 17.092 5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -7.770 15.994 7.233 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -5.084 16.071 5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -5.423 15.815 7.532 1.00 0.00 H new ATOM 651 N MET A 954 -6.290 13.017 3.611 1.00 0.00 N ATOM 652 CA MET A 954 -6.145 12.113 2.468 1.00 0.00 C ATOM 653 C MET A 954 -5.329 10.883 2.858 1.00 0.00 C ATOM 654 O MET A 954 -5.544 9.786 2.344 1.00 0.00 O ATOM 655 CB MET A 954 -5.533 12.850 1.267 1.00 0.00 C ATOM 656 CG MET A 954 -4.140 13.424 1.481 1.00 0.00 C ATOM 657 SD MET A 954 -2.828 12.224 1.180 1.00 0.00 S ATOM 658 CE MET A 954 -3.171 11.752 -0.513 1.00 0.00 C ATOM 0 H MET A 954 -5.690 13.841 3.576 1.00 0.00 H new ATOM 0 HA MET A 954 -7.134 11.767 2.167 1.00 0.00 H new ATOM 0 HB2 MET A 954 -5.496 12.161 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 954 -6.201 13.664 0.985 1.00 0.00 H new ATOM 0 HG2 MET A 954 -4.000 14.280 0.820 1.00 0.00 H new ATOM 0 HG3 MET A 954 -4.059 13.794 2.503 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.284 11.293 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 954 -3.995 11.039 -0.532 1.00 0.00 H new ATOM 0 HE3 MET A 954 -3.443 12.636 -1.089 1.00 0.00 H new ATOM 668 N VAL A 955 -4.392 11.092 3.775 1.00 0.00 N ATOM 669 CA VAL A 955 -3.689 10.004 4.452 1.00 0.00 C ATOM 670 C VAL A 955 -4.686 9.086 5.158 1.00 0.00 C ATOM 671 O VAL A 955 -4.492 7.881 5.216 1.00 0.00 O ATOM 672 CB VAL A 955 -2.660 10.548 5.470 1.00 0.00 C ATOM 673 CG1 VAL A 955 -2.064 9.426 6.304 1.00 0.00 C ATOM 674 CG2 VAL A 955 -1.556 11.297 4.741 1.00 0.00 C ATOM 0 H VAL A 955 -4.096 12.022 4.072 1.00 0.00 H new ATOM 0 HA VAL A 955 -3.150 9.434 3.695 1.00 0.00 H new ATOM 0 HB VAL A 955 -3.178 11.231 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 955 -1.344 9.840 7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 955 -2.858 8.918 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 955 -1.561 8.714 5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 955 -0.835 11.677 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 955 -1.054 10.621 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -1.987 12.130 4.186 1.00 0.00 H new ATOM 684 N LYS A 956 -5.749 9.660 5.683 1.00 0.00 N ATOM 685 CA LYS A 956 -6.840 8.890 6.259 1.00 0.00 C ATOM 686 C LYS A 956 -7.562 8.067 5.186 1.00 0.00 C ATOM 687 O LYS A 956 -8.037 6.962 5.456 1.00 0.00 O ATOM 688 CB LYS A 956 -7.789 9.849 7.002 1.00 0.00 C ATOM 689 CG LYS A 956 -9.205 9.333 7.234 1.00 0.00 C ATOM 690 CD LYS A 956 -10.134 9.737 6.096 1.00 0.00 C ATOM 691 CE LYS A 956 -11.572 9.315 6.360 1.00 0.00 C ATOM 692 NZ LYS A 956 -12.473 9.709 5.243 1.00 0.00 N ATOM 0 H LYS A 956 -5.884 10.670 5.724 1.00 0.00 H new ATOM 0 HA LYS A 956 -6.446 8.170 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -7.347 10.090 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -7.849 10.780 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -9.188 8.247 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -9.588 9.726 8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -10.092 10.818 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -9.788 9.285 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -11.615 8.235 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -11.921 9.770 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -13.459 9.707 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -12.221 10.663 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -12.370 9.033 4.459 1.00 0.00 H new ATOM 706 N GLU A 957 -7.614 8.594 3.963 1.00 0.00 N ATOM 707 CA GLU A 957 -8.279 7.901 2.859 1.00 0.00 C ATOM 708 C GLU A 957 -7.396 6.782 2.303 1.00 0.00 C ATOM 709 O GLU A 957 -7.858 5.662 2.088 1.00 0.00 O ATOM 710 CB GLU A 957 -8.630 8.891 1.742 1.00 0.00 C ATOM 711 CG GLU A 957 -9.626 9.960 2.163 1.00 0.00 C ATOM 712 CD GLU A 957 -11.023 9.411 2.387 1.00 0.00 C ATOM 713 OE1 GLU A 957 -11.194 8.528 3.252 1.00 0.00 O ATOM 714 OE2 GLU A 957 -11.962 9.884 1.718 1.00 0.00 O ATOM 0 H GLU A 957 -7.206 9.494 3.712 1.00 0.00 H new ATOM 0 HA GLU A 957 -9.197 7.457 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -7.716 9.374 1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -9.039 8.340 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -9.276 10.434 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -9.664 10.735 1.398 1.00 0.00 H new ATOM 721 N VAL A 958 -6.116 7.086 2.096 1.00 0.00 N ATOM 722 CA VAL A 958 -5.167 6.092 1.601 1.00 0.00 C ATOM 723 C VAL A 958 -4.775 5.142 2.721 1.00 0.00 C ATOM 724 O VAL A 958 -4.542 3.961 2.479 1.00 0.00 O ATOM 725 CB VAL A 958 -3.909 6.742 0.965 1.00 0.00 C ATOM 726 CG1 VAL A 958 -3.124 7.551 1.983 1.00 0.00 C ATOM 727 CG2 VAL A 958 -3.018 5.694 0.316 1.00 0.00 C ATOM 0 H VAL A 958 -5.714 8.008 2.263 1.00 0.00 H new ATOM 0 HA VAL A 958 -5.664 5.529 0.811 1.00 0.00 H new ATOM 0 HB VAL A 958 -4.256 7.425 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.250 7.991 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.756 8.344 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.801 6.899 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -2.145 6.179 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.695 4.975 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -3.575 5.177 -0.465 1.00 0.00 H new ATOM 737 N GLY A 959 -4.746 5.646 3.946 1.00 0.00 N ATOM 738 CA GLY A 959 -4.513 4.796 5.092 1.00 0.00 C ATOM 739 C GLY A 959 -5.594 3.752 5.215 1.00 0.00 C ATOM 740 O GLY A 959 -5.325 2.601 5.546 1.00 0.00 O ATOM 0 H GLY A 959 -4.880 6.633 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 959 -3.542 4.310 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 959 -4.481 5.401 5.998 1.00 0.00 H new ATOM 744 N LEU A 960 -6.820 4.162 4.919 1.00 0.00 N ATOM 745 CA LEU A 960 -7.953 3.255 4.891 1.00 0.00 C ATOM 746 C LEU A 960 -7.776 2.213 3.792 1.00 0.00 C ATOM 747 O LEU A 960 -8.025 1.034 3.998 1.00 0.00 O ATOM 748 CB LEU A 960 -9.251 4.028 4.656 1.00 0.00 C ATOM 749 CG LEU A 960 -10.523 3.187 4.733 1.00 0.00 C ATOM 750 CD1 LEU A 960 -10.900 2.927 6.179 1.00 0.00 C ATOM 751 CD2 LEU A 960 -11.660 3.869 3.983 1.00 0.00 C ATOM 0 H LEU A 960 -7.054 5.129 4.693 1.00 0.00 H new ATOM 0 HA LEU A 960 -8.007 2.751 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -9.318 4.830 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -9.203 4.499 3.674 1.00 0.00 H new ATOM 0 HG LEU A 960 -10.335 2.225 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -11.809 2.326 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -10.091 2.391 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -11.072 3.876 6.687 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -12.559 3.256 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -11.854 4.846 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -11.382 3.995 2.937 1.00 0.00 H new ATOM 763 N ALA A 961 -7.323 2.647 2.633 1.00 0.00 N ATOM 764 CA ALA A 961 -7.183 1.757 1.491 1.00 0.00 C ATOM 765 C ALA A 961 -5.997 0.800 1.653 1.00 0.00 C ATOM 766 O ALA A 961 -6.059 -0.362 1.253 1.00 0.00 O ATOM 767 CB ALA A 961 -7.040 2.582 0.234 1.00 0.00 C ATOM 0 H ALA A 961 -7.044 3.612 2.454 1.00 0.00 H new ATOM 0 HA ALA A 961 -8.078 1.139 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -6.935 1.920 -0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -7.925 3.206 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -6.157 3.216 0.314 1.00 0.00 H new ATOM 773 N LEU A 962 -4.936 1.286 2.285 1.00 0.00 N ATOM 774 CA LEU A 962 -3.718 0.507 2.503 1.00 0.00 C ATOM 775 C LEU A 962 -3.902 -0.418 3.709 1.00 0.00 C ATOM 776 O LEU A 962 -3.324 -1.503 3.740 1.00 0.00 O ATOM 777 CB LEU A 962 -2.493 1.456 2.649 1.00 0.00 C ATOM 778 CG LEU A 962 -2.405 2.270 3.937 1.00 0.00 C ATOM 779 CD1 LEU A 962 -1.783 1.449 5.057 1.00 0.00 C ATOM 780 CD2 LEU A 962 -1.603 3.533 3.687 1.00 0.00 C ATOM 0 H LEU A 962 -4.893 2.233 2.662 1.00 0.00 H new ATOM 0 HA LEU A 962 -3.522 -0.128 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 962 -1.587 0.857 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 962 -2.498 2.149 1.808 1.00 0.00 H new ATOM 0 HG LEU A 962 -3.412 2.545 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 962 -1.731 2.051 5.964 1.00 0.00 H new ATOM 0 HD12 LEU A 962 -2.393 0.565 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 962 -0.778 1.142 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 962 -1.541 4.113 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 962 -0.599 3.267 3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 962 -2.092 4.128 2.916 1.00 0.00 H new ATOM 792 N ARG A 963 -4.708 -0.030 4.694 1.00 0.00 N ATOM 793 CA ARG A 963 -5.064 -0.976 5.753 1.00 0.00 C ATOM 794 C ARG A 963 -6.038 -2.029 5.238 1.00 0.00 C ATOM 795 O ARG A 963 -5.990 -3.171 5.683 1.00 0.00 O ATOM 796 CB ARG A 963 -5.677 -0.289 6.968 1.00 0.00 C ATOM 797 CG ARG A 963 -7.014 0.346 6.637 1.00 0.00 C ATOM 798 CD ARG A 963 -7.827 0.697 7.866 1.00 0.00 C ATOM 799 NE ARG A 963 -7.084 1.540 8.801 1.00 0.00 N ATOM 800 CZ ARG A 963 -7.286 2.848 8.950 1.00 0.00 C ATOM 801 NH1 ARG A 963 -8.218 3.466 8.233 1.00 0.00 N ATOM 802 NH2 ARG A 963 -6.567 3.534 9.827 1.00 0.00 N ATOM 0 H ARG A 963 -5.116 0.900 4.783 1.00 0.00 H new ATOM 0 HA ARG A 963 -4.132 -1.450 6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -5.808 -1.016 7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 963 -4.993 0.475 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 963 -6.845 1.249 6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 963 -7.589 -0.337 6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 963 -8.738 1.212 7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 963 -8.133 -0.220 8.371 1.00 0.00 H new ATOM 0 HE ARG A 963 -6.366 1.099 9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 963 -8.781 2.939 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 963 -8.370 4.468 8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -5.859 3.060 10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 963 -6.722 4.536 9.941 1.00 0.00 H new ATOM 816 N THR A 964 -6.923 -1.665 4.318 1.00 0.00 N ATOM 817 CA THR A 964 -7.818 -2.654 3.756 1.00 0.00 C ATOM 818 C THR A 964 -7.004 -3.654 2.943 1.00 0.00 C ATOM 819 O THR A 964 -7.306 -4.846 2.921 1.00 0.00 O ATOM 820 CB THR A 964 -8.938 -2.024 2.904 1.00 0.00 C ATOM 821 OG1 THR A 964 -9.547 -0.953 3.638 1.00 0.00 O ATOM 822 CG2 THR A 964 -10.006 -3.058 2.590 1.00 0.00 C ATOM 0 H THR A 964 -7.035 -0.718 3.957 1.00 0.00 H new ATOM 0 HA THR A 964 -8.319 -3.167 4.577 1.00 0.00 H new ATOM 0 HB THR A 964 -8.504 -1.653 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 964 -9.083 -0.114 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 964 -10.791 -2.599 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 964 -9.560 -3.885 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 964 -10.434 -3.433 3.520 1.00 0.00 H new ATOM 830 N LEU A 965 -5.934 -3.159 2.322 1.00 0.00 N ATOM 831 CA LEU A 965 -4.949 -4.025 1.683 1.00 0.00 C ATOM 832 C LEU A 965 -4.327 -4.942 2.721 1.00 0.00 C ATOM 833 O LEU A 965 -4.260 -6.160 2.548 1.00 0.00 O ATOM 834 CB LEU A 965 -3.841 -3.194 1.035 1.00 0.00 C ATOM 835 CG LEU A 965 -2.572 -3.978 0.684 1.00 0.00 C ATOM 836 CD1 LEU A 965 -2.814 -4.932 -0.470 1.00 0.00 C ATOM 837 CD2 LEU A 965 -1.439 -3.022 0.362 1.00 0.00 C ATOM 0 H LEU A 965 -5.729 -2.163 2.249 1.00 0.00 H new ATOM 0 HA LEU A 965 -5.454 -4.611 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -4.233 -2.738 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -3.574 -2.381 1.710 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.291 -4.576 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.894 -5.473 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -3.595 -5.642 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -3.127 -4.368 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.543 -3.590 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.719 -2.398 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.240 -2.389 1.227 1.00 0.00 H new ATOM 849 N LEU A 966 -3.896 -4.322 3.816 1.00 0.00 N ATOM 850 CA LEU A 966 -3.250 -5.019 4.916 1.00 0.00 C ATOM 851 C LEU A 966 -4.149 -6.140 5.412 1.00 0.00 C ATOM 852 O LEU A 966 -3.704 -7.261 5.631 1.00 0.00 O ATOM 853 CB LEU A 966 -2.961 -4.020 6.049 1.00 0.00 C ATOM 854 CG LEU A 966 -2.131 -4.550 7.229 1.00 0.00 C ATOM 855 CD1 LEU A 966 -1.349 -3.413 7.868 1.00 0.00 C ATOM 856 CD2 LEU A 966 -3.026 -5.209 8.270 1.00 0.00 C ATOM 0 H LEU A 966 -3.987 -3.317 3.963 1.00 0.00 H new ATOM 0 HA LEU A 966 -2.310 -5.453 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 966 -2.442 -3.161 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 966 -3.913 -3.657 6.436 1.00 0.00 H new ATOM 0 HG LEU A 966 -1.436 -5.298 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 966 -0.764 -3.798 8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 966 -0.680 -2.971 7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 966 -2.042 -2.653 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 966 -2.415 -5.576 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 966 -3.744 -4.480 8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 966 -3.560 -6.043 7.815 1.00 0.00 H new ATOM 868 N ALA A 967 -5.425 -5.808 5.570 1.00 0.00 N ATOM 869 CA ALA A 967 -6.440 -6.749 6.013 1.00 0.00 C ATOM 870 C ALA A 967 -6.687 -7.852 4.989 1.00 0.00 C ATOM 871 O ALA A 967 -6.811 -9.006 5.378 1.00 0.00 O ATOM 872 CB ALA A 967 -7.735 -6.029 6.350 1.00 0.00 C ATOM 0 H ALA A 967 -5.784 -4.870 5.392 1.00 0.00 H new ATOM 0 HA ALA A 967 -6.062 -7.226 6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -8.479 -6.754 6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -7.554 -5.308 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -8.102 -5.508 5.466 1.00 0.00 H new ATOM 878 N THR A 968 -6.748 -7.537 3.698 1.00 0.00 N ATOM 879 CA THR A 968 -6.893 -8.595 2.697 1.00 0.00 C ATOM 880 C THR A 968 -5.698 -9.543 2.733 1.00 0.00 C ATOM 881 O THR A 968 -5.843 -10.746 2.539 1.00 0.00 O ATOM 882 CB THR A 968 -7.093 -8.045 1.271 1.00 0.00 C ATOM 883 OG1 THR A 968 -6.408 -6.795 1.100 1.00 0.00 O ATOM 884 CG2 THR A 968 -8.571 -7.870 0.976 1.00 0.00 C ATOM 0 H THR A 968 -6.701 -6.588 3.326 1.00 0.00 H new ATOM 0 HA THR A 968 -7.797 -9.145 2.958 1.00 0.00 H new ATOM 0 HB THR A 968 -6.672 -8.766 0.570 1.00 0.00 H new ATOM 0 HG1 THR A 968 -5.530 -6.841 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 968 -8.697 -7.481 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 968 -9.075 -8.833 1.060 1.00 0.00 H new ATOM 0 HG23 THR A 968 -9.004 -7.170 1.691 1.00 0.00 H new ATOM 892 N VAL A 969 -4.524 -8.995 3.012 1.00 0.00 N ATOM 893 CA VAL A 969 -3.315 -9.798 3.173 1.00 0.00 C ATOM 894 C VAL A 969 -3.339 -10.564 4.503 1.00 0.00 C ATOM 895 O VAL A 969 -3.026 -11.753 4.548 1.00 0.00 O ATOM 896 CB VAL A 969 -2.035 -8.937 3.105 1.00 0.00 C ATOM 897 CG1 VAL A 969 -0.797 -9.809 3.221 1.00 0.00 C ATOM 898 CG2 VAL A 969 -1.989 -8.129 1.820 1.00 0.00 C ATOM 0 H VAL A 969 -4.380 -7.992 3.133 1.00 0.00 H new ATOM 0 HA VAL A 969 -3.298 -10.506 2.344 1.00 0.00 H new ATOM 0 HB VAL A 969 -2.054 -8.243 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 969 0.094 -9.184 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 969 -0.814 -10.341 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 969 -0.781 -10.529 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 969 -1.077 -7.532 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 969 -2.001 -8.805 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 969 -2.856 -7.470 1.774 1.00 0.00 H new ATOM 908 N ASP A 970 -3.774 -9.906 5.565 1.00 0.00 N ATOM 909 CA ASP A 970 -3.757 -10.509 6.898 1.00 0.00 C ATOM 910 C ASP A 970 -4.797 -11.616 6.960 1.00 0.00 C ATOM 911 O ASP A 970 -4.570 -12.703 7.510 1.00 0.00 O ATOM 912 CB ASP A 970 -4.038 -9.445 7.964 1.00 0.00 C ATOM 913 CG ASP A 970 -4.095 -9.995 9.373 1.00 0.00 C ATOM 914 OD1 ASP A 970 -3.032 -10.339 9.925 1.00 0.00 O ATOM 915 OD2 ASP A 970 -5.203 -10.057 9.947 1.00 0.00 O ATOM 0 H ASP A 970 -4.144 -8.956 5.536 1.00 0.00 H new ATOM 0 HA ASP A 970 -2.772 -10.933 7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 970 -3.264 -8.679 7.913 1.00 0.00 H new ATOM 0 HB3 ASP A 970 -4.985 -8.956 7.736 1.00 0.00 H new ATOM 920 N GLU A 971 -5.929 -11.340 6.348 1.00 0.00 N ATOM 921 CA GLU A 971 -7.000 -12.301 6.255 1.00 0.00 C ATOM 922 C GLU A 971 -6.561 -13.469 5.376 1.00 0.00 C ATOM 923 O GLU A 971 -6.956 -14.615 5.592 1.00 0.00 O ATOM 924 CB GLU A 971 -8.236 -11.614 5.691 1.00 0.00 C ATOM 925 CG GLU A 971 -9.512 -12.414 5.846 1.00 0.00 C ATOM 926 CD GLU A 971 -9.871 -12.633 7.298 1.00 0.00 C ATOM 927 OE1 GLU A 971 -10.422 -11.711 7.925 1.00 0.00 O ATOM 928 OE2 GLU A 971 -9.589 -13.730 7.826 1.00 0.00 O ATOM 0 H GLU A 971 -6.130 -10.444 5.903 1.00 0.00 H new ATOM 0 HA GLU A 971 -7.244 -12.695 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -8.361 -10.651 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -8.074 -11.410 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -10.329 -11.894 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -9.397 -13.379 5.352 1.00 0.00 H new ATOM 935 N SER A 972 -5.714 -13.160 4.397 1.00 0.00 N ATOM 936 CA SER A 972 -5.107 -14.169 3.537 1.00 0.00 C ATOM 937 C SER A 972 -4.114 -15.029 4.310 1.00 0.00 C ATOM 938 O SER A 972 -3.773 -16.125 3.867 1.00 0.00 O ATOM 939 CB SER A 972 -4.417 -13.519 2.334 1.00 0.00 C ATOM 940 OG SER A 972 -5.369 -13.056 1.388 1.00 0.00 O ATOM 0 H SER A 972 -5.430 -12.205 4.179 1.00 0.00 H new ATOM 0 HA SER A 972 -5.907 -14.813 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 972 -3.800 -12.686 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 972 -3.750 -14.239 1.861 1.00 0.00 H new ATOM 0 HG SER A 972 -5.590 -12.120 1.577 1.00 0.00 H new ATOM 946 N LEU A 973 -3.672 -14.561 5.478 1.00 0.00 N ATOM 947 CA LEU A 973 -2.702 -15.320 6.259 1.00 0.00 C ATOM 948 C LEU A 973 -3.318 -16.643 6.713 1.00 0.00 C ATOM 949 O LEU A 973 -2.732 -17.696 6.485 1.00 0.00 O ATOM 950 CB LEU A 973 -2.176 -14.499 7.452 1.00 0.00 C ATOM 951 CG LEU A 973 -1.120 -15.190 8.325 1.00 0.00 C ATOM 952 CD1 LEU A 973 -0.116 -14.175 8.844 1.00 0.00 C ATOM 953 CD2 LEU A 973 -1.779 -15.901 9.497 1.00 0.00 C ATOM 0 H LEU A 973 -3.965 -13.678 5.896 1.00 0.00 H new ATOM 0 HA LEU A 973 -1.843 -15.542 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 973 -1.753 -13.570 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 973 -3.022 -14.229 8.084 1.00 0.00 H new ATOM 0 HG LEU A 973 -0.600 -15.925 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 973 0.626 -14.681 9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 973 0.380 -13.691 8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 973 -0.633 -13.424 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 973 -1.015 -16.385 10.105 1.00 0.00 H new ATOM 0 HD22 LEU A 973 -2.321 -15.176 10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 973 -2.475 -16.652 9.122 1.00 0.00 H new ATOM 965 N PRO A 974 -4.513 -16.635 7.351 1.00 0.00 N ATOM 966 CA PRO A 974 -5.234 -17.879 7.645 1.00 0.00 C ATOM 967 C PRO A 974 -6.024 -18.420 6.445 1.00 0.00 C ATOM 968 O PRO A 974 -6.605 -19.504 6.525 1.00 0.00 O ATOM 969 CB PRO A 974 -6.179 -17.504 8.798 1.00 0.00 C ATOM 970 CG PRO A 974 -5.882 -16.072 9.124 1.00 0.00 C ATOM 971 CD PRO A 974 -5.222 -15.486 7.910 1.00 0.00 C ATOM 0 HA PRO A 974 -4.541 -18.682 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 974 -7.221 -17.630 8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 974 -6.012 -18.144 9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 974 -6.797 -15.532 9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 974 -5.229 -16.000 9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 974 -5.950 -15.078 7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 974 -4.541 -14.676 8.170 1.00 0.00 H new ATOM 979 N VAL A 975 -6.042 -17.692 5.333 1.00 0.00 N ATOM 980 CA VAL A 975 -6.631 -18.228 4.105 1.00 0.00 C ATOM 981 C VAL A 975 -5.717 -19.294 3.503 1.00 0.00 C ATOM 982 O VAL A 975 -6.162 -20.400 3.186 1.00 0.00 O ATOM 983 CB VAL A 975 -6.923 -17.130 3.048 1.00 0.00 C ATOM 984 CG1 VAL A 975 -7.153 -17.738 1.669 1.00 0.00 C ATOM 985 CG2 VAL A 975 -8.139 -16.312 3.451 1.00 0.00 C ATOM 0 H VAL A 975 -5.664 -16.748 5.253 1.00 0.00 H new ATOM 0 HA VAL A 975 -7.587 -18.671 4.383 1.00 0.00 H new ATOM 0 HB VAL A 975 -6.050 -16.479 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 975 -7.355 -16.944 0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 975 -6.264 -18.288 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 975 -8.005 -18.417 1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -8.329 -15.547 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 975 -9.007 -16.966 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 975 -7.954 -15.836 4.414 1.00 0.00 H new ATOM 1049 N THR A 980 2.711 -19.264 3.186 1.00 0.00 N ATOM 1050 CA THR A 980 2.482 -17.929 2.647 1.00 0.00 C ATOM 1051 C THR A 980 2.325 -16.916 3.785 1.00 0.00 C ATOM 1052 O THR A 980 2.417 -15.707 3.583 1.00 0.00 O ATOM 1053 CB THR A 980 1.225 -17.920 1.747 1.00 0.00 C ATOM 1054 OG1 THR A 980 1.308 -19.000 0.808 1.00 0.00 O ATOM 1055 CG2 THR A 980 1.081 -16.602 1.002 1.00 0.00 C ATOM 0 HA THR A 980 3.345 -17.646 2.044 1.00 0.00 H new ATOM 0 HB THR A 980 0.348 -18.041 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 980 1.816 -19.739 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 980 0.187 -16.632 0.379 1.00 0.00 H new ATOM 0 HG22 THR A 980 0.997 -15.786 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 980 1.956 -16.442 0.372 1.00 0.00 H new ATOM 1063 N HIS A 981 2.127 -17.447 4.989 1.00 0.00 N ATOM 1064 CA HIS A 981 1.998 -16.645 6.202 1.00 0.00 C ATOM 1065 C HIS A 981 3.143 -15.646 6.343 1.00 0.00 C ATOM 1066 O HIS A 981 2.917 -14.506 6.721 1.00 0.00 O ATOM 1067 CB HIS A 981 1.972 -17.547 7.442 1.00 0.00 C ATOM 1068 CG HIS A 981 0.763 -18.431 7.551 1.00 0.00 C ATOM 1069 ND1 HIS A 981 0.128 -18.687 8.745 1.00 0.00 N ATOM 1070 CD2 HIS A 981 0.087 -19.134 6.613 1.00 0.00 C ATOM 1071 CE1 HIS A 981 -0.884 -19.509 8.537 1.00 0.00 C ATOM 1072 NE2 HIS A 981 -0.934 -19.795 7.248 1.00 0.00 N ATOM 0 H HIS A 981 2.051 -18.451 5.151 1.00 0.00 H new ATOM 0 HA HIS A 981 1.061 -16.094 6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 981 2.864 -18.174 7.437 1.00 0.00 H new ATOM 0 HB3 HIS A 981 2.028 -16.920 8.332 1.00 0.00 H new ATOM 0 HD2 HIS A 981 0.310 -19.169 5.557 1.00 0.00 H new ATOM 0 HE1 HIS A 981 -1.558 -19.884 9.293 1.00 0.00 H new ATOM 0 HE2 HIS A 981 -1.617 -20.405 6.800 1.00 0.00 H new ATOM 1081 N ARG A 982 4.361 -16.056 6.003 1.00 0.00 N ATOM 1082 CA ARG A 982 5.528 -15.211 6.252 1.00 0.00 C ATOM 1083 C ARG A 982 5.735 -14.177 5.148 1.00 0.00 C ATOM 1084 O ARG A 982 6.385 -13.157 5.375 1.00 0.00 O ATOM 1085 CB ARG A 982 6.794 -16.027 6.513 1.00 0.00 C ATOM 1086 CG ARG A 982 7.075 -17.096 5.473 1.00 0.00 C ATOM 1087 CD ARG A 982 8.262 -17.951 5.885 1.00 0.00 C ATOM 1088 NE ARG A 982 8.129 -18.415 7.262 1.00 0.00 N ATOM 1089 CZ ARG A 982 8.843 -19.397 7.801 1.00 0.00 C ATOM 1090 NH1 ARG A 982 9.723 -20.075 7.074 1.00 0.00 N ATOM 1091 NH2 ARG A 982 8.676 -19.705 9.076 1.00 0.00 N ATOM 0 H ARG A 982 4.566 -16.952 5.562 1.00 0.00 H new ATOM 0 HA ARG A 982 5.318 -14.660 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.646 -15.349 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.711 -16.501 7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 982 6.195 -17.726 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 982 7.275 -16.628 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 982 8.345 -18.808 5.217 1.00 0.00 H new ATOM 0 HD3 ARG A 982 9.181 -17.375 5.780 1.00 0.00 H new ATOM 0 HE ARG A 982 7.438 -17.952 7.853 1.00 0.00 H new ATOM 0 HH11 ARG A 982 9.857 -19.844 6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 982 10.265 -20.827 7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 982 8.001 -19.189 9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 982 9.222 -20.458 9.494 1.00 0.00 H new ATOM 1105 N GLU A 983 5.175 -14.405 3.969 1.00 0.00 N ATOM 1106 CA GLU A 983 5.105 -13.348 2.969 1.00 0.00 C ATOM 1107 C GLU A 983 4.093 -12.314 3.406 1.00 0.00 C ATOM 1108 O GLU A 983 4.266 -11.115 3.198 1.00 0.00 O ATOM 1109 CB GLU A 983 4.688 -13.901 1.621 1.00 0.00 C ATOM 1110 CG GLU A 983 5.855 -14.241 0.728 1.00 0.00 C ATOM 1111 CD GLU A 983 6.471 -15.587 1.055 1.00 0.00 C ATOM 1112 OE1 GLU A 983 5.921 -16.612 0.612 1.00 0.00 O ATOM 1113 OE2 GLU A 983 7.522 -15.627 1.720 1.00 0.00 O ATOM 0 H GLU A 983 4.769 -15.296 3.684 1.00 0.00 H new ATOM 0 HA GLU A 983 6.094 -12.900 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.084 -14.795 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.054 -13.171 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 983 5.524 -14.240 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 983 6.616 -13.466 0.821 1.00 0.00 H new ATOM 1120 N ILE A 984 3.056 -12.800 4.052 1.00 0.00 N ATOM 1121 CA ILE A 984 1.995 -11.959 4.559 1.00 0.00 C ATOM 1122 C ILE A 984 2.512 -11.184 5.756 1.00 0.00 C ATOM 1123 O ILE A 984 2.125 -10.040 5.985 1.00 0.00 O ATOM 1124 CB ILE A 984 0.774 -12.820 4.924 1.00 0.00 C ATOM 1125 CG1 ILE A 984 0.141 -13.360 3.641 1.00 0.00 C ATOM 1126 CG2 ILE A 984 -0.230 -12.037 5.759 1.00 0.00 C ATOM 1127 CD1 ILE A 984 -0.743 -14.564 3.843 1.00 0.00 C ATOM 0 H ILE A 984 2.925 -13.794 4.241 1.00 0.00 H new ATOM 0 HA ILE A 984 1.678 -11.247 3.796 1.00 0.00 H new ATOM 0 HB ILE A 984 1.099 -13.659 5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -0.446 -12.567 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 984 0.934 -13.620 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -1.080 -12.676 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 984 0.245 -11.704 6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -0.575 -11.170 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -1.150 -14.881 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -0.159 -15.376 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -1.560 -14.306 4.517 1.00 0.00 H new ATOM 1139 N GLU A 985 3.442 -11.792 6.467 1.00 0.00 N ATOM 1140 CA GLU A 985 4.119 -11.134 7.561 1.00 0.00 C ATOM 1141 C GLU A 985 4.956 -9.973 7.050 1.00 0.00 C ATOM 1142 O GLU A 985 4.824 -8.840 7.504 1.00 0.00 O ATOM 1143 CB GLU A 985 5.034 -12.128 8.287 1.00 0.00 C ATOM 1144 CG GLU A 985 4.266 -13.203 9.041 1.00 0.00 C ATOM 1145 CD GLU A 985 5.123 -13.975 10.020 1.00 0.00 C ATOM 1146 OE1 GLU A 985 5.726 -14.997 9.627 1.00 0.00 O ATOM 1147 OE2 GLU A 985 5.176 -13.576 11.205 1.00 0.00 O ATOM 0 H GLU A 985 3.746 -12.751 6.302 1.00 0.00 H new ATOM 0 HA GLU A 985 3.364 -10.756 8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 985 5.694 -12.603 7.561 1.00 0.00 H new ATOM 0 HB3 GLU A 985 5.669 -11.584 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 985 3.439 -12.739 9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 985 3.829 -13.898 8.324 1.00 0.00 H new ATOM 1154 N MET A 986 5.794 -10.279 6.067 1.00 0.00 N ATOM 1155 CA MET A 986 6.798 -9.347 5.572 1.00 0.00 C ATOM 1156 C MET A 986 6.171 -8.196 4.793 1.00 0.00 C ATOM 1157 O MET A 986 6.563 -7.043 4.941 1.00 0.00 O ATOM 1158 CB MET A 986 7.782 -10.096 4.671 1.00 0.00 C ATOM 1159 CG MET A 986 8.975 -9.261 4.240 1.00 0.00 C ATOM 1160 SD MET A 986 10.068 -8.852 5.615 1.00 0.00 S ATOM 1161 CE MET A 986 10.602 -10.489 6.110 1.00 0.00 C ATOM 0 H MET A 986 5.796 -11.181 5.591 1.00 0.00 H new ATOM 0 HA MET A 986 7.316 -8.923 6.432 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.141 -10.981 5.197 1.00 0.00 H new ATOM 0 HB3 MET A 986 7.254 -10.445 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 986 9.539 -9.804 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 986 8.621 -8.341 3.776 1.00 0.00 H new ATOM 0 HE1 MET A 986 11.560 -10.419 6.626 1.00 0.00 H new ATOM 0 HE2 MET A 986 9.861 -10.927 6.779 1.00 0.00 H new ATOM 0 HE3 MET A 986 10.711 -11.119 5.227 1.00 0.00 H new ATOM 1171 N ALA A 987 5.199 -8.525 3.961 1.00 0.00 N ATOM 1172 CA ALA A 987 4.621 -7.566 3.034 1.00 0.00 C ATOM 1173 C ALA A 987 3.710 -6.563 3.728 1.00 0.00 C ATOM 1174 O ALA A 987 3.860 -5.357 3.533 1.00 0.00 O ATOM 1175 CB ALA A 987 3.861 -8.295 1.946 1.00 0.00 C ATOM 0 H ALA A 987 4.790 -9.458 3.908 1.00 0.00 H new ATOM 0 HA ALA A 987 5.444 -7.001 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.430 -7.570 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.541 -8.953 1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.063 -8.888 2.394 1.00 0.00 H new ATOM 1181 N GLN A 988 2.764 -7.044 4.536 1.00 0.00 N ATOM 1182 CA GLN A 988 1.860 -6.126 5.227 1.00 0.00 C ATOM 1183 C GLN A 988 2.658 -5.288 6.218 1.00 0.00 C ATOM 1184 O GLN A 988 2.255 -4.198 6.609 1.00 0.00 O ATOM 1185 CB GLN A 988 0.695 -6.861 5.905 1.00 0.00 C ATOM 1186 CG GLN A 988 1.035 -7.544 7.220 1.00 0.00 C ATOM 1187 CD GLN A 988 -0.111 -8.402 7.731 1.00 0.00 C ATOM 1188 OE1 GLN A 988 0.100 -9.393 8.427 1.00 0.00 O ATOM 1189 NE2 GLN A 988 -1.336 -8.028 7.380 1.00 0.00 N ATOM 0 H GLN A 988 2.606 -8.034 4.724 1.00 0.00 H new ATOM 0 HA GLN A 988 1.404 -5.464 4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 988 -0.109 -6.147 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 988 0.309 -7.611 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 988 1.921 -8.165 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 988 1.283 -6.790 7.966 1.00 0.00 H new ATOM 0 HE21 GLN A 988 -1.470 -7.199 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 988 -2.143 -8.570 7.689 1.00 0.00 H new ATOM 1198 N LYS A 989 3.809 -5.822 6.596 1.00 0.00 N ATOM 1199 CA LYS A 989 4.793 -5.107 7.382 1.00 0.00 C ATOM 1200 C LYS A 989 5.526 -4.050 6.558 1.00 0.00 C ATOM 1201 O LYS A 989 5.783 -2.951 7.041 1.00 0.00 O ATOM 1202 CB LYS A 989 5.793 -6.110 7.927 1.00 0.00 C ATOM 1203 CG LYS A 989 7.195 -5.565 8.130 1.00 0.00 C ATOM 1204 CD LYS A 989 8.131 -6.615 8.714 1.00 0.00 C ATOM 1205 CE LYS A 989 7.675 -7.083 10.089 1.00 0.00 C ATOM 1206 NZ LYS A 989 7.527 -5.951 11.043 1.00 0.00 N ATOM 0 H LYS A 989 4.086 -6.775 6.361 1.00 0.00 H new ATOM 0 HA LYS A 989 4.279 -4.589 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 989 5.424 -6.489 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 989 5.843 -6.959 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 989 7.591 -5.215 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 989 7.157 -4.702 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 989 8.184 -7.469 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 989 9.138 -6.203 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 989 6.723 -7.606 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 989 8.395 -7.799 10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 7.399 -6.323 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 8.380 -5.357 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 6.698 -5.381 10.779 1.00 0.00 H new ATOM 1220 N LEU A 990 5.936 -4.404 5.341 1.00 0.00 N ATOM 1221 CA LEU A 990 6.653 -3.447 4.521 1.00 0.00 C ATOM 1222 C LEU A 990 5.842 -2.174 4.300 1.00 0.00 C ATOM 1223 O LEU A 990 6.285 -1.085 4.667 1.00 0.00 O ATOM 1224 CB LEU A 990 7.069 -4.032 3.185 1.00 0.00 C ATOM 1225 CG LEU A 990 8.078 -3.149 2.480 1.00 0.00 C ATOM 1226 CD1 LEU A 990 9.439 -3.275 3.142 1.00 0.00 C ATOM 1227 CD2 LEU A 990 8.159 -3.471 1.002 1.00 0.00 C ATOM 0 H LEU A 990 5.787 -5.319 4.916 1.00 0.00 H new ATOM 0 HA LEU A 990 7.557 -3.193 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.496 -5.023 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.190 -4.158 2.553 1.00 0.00 H new ATOM 0 HG LEU A 990 7.744 -2.115 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 990 10.155 -2.636 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 990 9.366 -2.969 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 990 9.774 -4.311 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 990 8.892 -2.819 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 990 8.460 -4.511 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 990 7.183 -3.315 0.542 1.00 0.00 H new ATOM 1239 N LEU A 991 4.650 -2.318 3.725 1.00 0.00 N ATOM 1240 CA LEU A 991 3.764 -1.178 3.505 1.00 0.00 C ATOM 1241 C LEU A 991 3.457 -0.486 4.821 1.00 0.00 C ATOM 1242 O LEU A 991 3.208 0.719 4.869 1.00 0.00 O ATOM 1243 CB LEU A 991 2.468 -1.633 2.834 1.00 0.00 C ATOM 1244 CG LEU A 991 1.664 -2.701 3.588 1.00 0.00 C ATOM 1245 CD1 LEU A 991 0.574 -2.061 4.437 1.00 0.00 C ATOM 1246 CD2 LEU A 991 1.065 -3.704 2.618 1.00 0.00 C ATOM 0 H LEU A 991 4.276 -3.211 3.404 1.00 0.00 H new ATOM 0 HA LEU A 991 4.268 -0.470 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 991 1.831 -0.761 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 991 2.710 -2.019 1.844 1.00 0.00 H new ATOM 0 HG LEU A 991 2.346 -3.231 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 991 0.018 -2.838 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 991 1.027 -1.386 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 991 -0.105 -1.500 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 991 0.499 -4.453 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 991 0.402 -3.188 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 991 1.864 -4.193 2.060 1.00 0.00 H new ATOM 1258 N ASN A 992 3.471 -1.279 5.876 1.00 0.00 N ATOM 1259 CA ASN A 992 3.288 -0.792 7.229 1.00 0.00 C ATOM 1260 C ASN A 992 4.305 0.300 7.560 1.00 0.00 C ATOM 1261 O ASN A 992 3.934 1.425 7.917 1.00 0.00 O ATOM 1262 CB ASN A 992 3.443 -1.965 8.178 1.00 0.00 C ATOM 1263 CG ASN A 992 3.041 -1.667 9.616 1.00 0.00 C ATOM 1264 OD1 ASN A 992 3.207 -0.555 10.121 1.00 0.00 O ATOM 1265 ND2 ASN A 992 2.483 -2.670 10.284 1.00 0.00 N ATOM 0 H ASN A 992 3.611 -2.288 5.817 1.00 0.00 H new ATOM 0 HA ASN A 992 2.295 -0.353 7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 992 2.842 -2.796 7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 992 4.482 -2.293 8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 992 2.176 -2.533 11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 992 2.361 -3.577 9.834 1.00 0.00 H new ATOM 1272 N SER A 993 5.584 -0.016 7.409 1.00 0.00 N ATOM 1273 CA SER A 993 6.637 0.945 7.695 1.00 0.00 C ATOM 1274 C SER A 993 6.701 2.024 6.616 1.00 0.00 C ATOM 1275 O SER A 993 7.036 3.172 6.908 1.00 0.00 O ATOM 1276 CB SER A 993 7.991 0.244 7.840 1.00 0.00 C ATOM 1277 OG SER A 993 7.953 -0.741 8.863 1.00 0.00 O ATOM 0 H SER A 993 5.915 -0.927 7.091 1.00 0.00 H new ATOM 0 HA SER A 993 6.400 1.428 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 993 8.266 -0.222 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 993 8.762 0.980 8.069 1.00 0.00 H new ATOM 0 HG SER A 993 8.829 -1.174 8.933 1.00 0.00 H new ATOM 1283 N ASP A 994 6.389 1.653 5.377 1.00 0.00 N ATOM 1284 CA ASP A 994 6.302 2.637 4.295 1.00 0.00 C ATOM 1285 C ASP A 994 5.330 3.758 4.655 1.00 0.00 C ATOM 1286 O ASP A 994 5.736 4.914 4.777 1.00 0.00 O ATOM 1287 CB ASP A 994 5.905 1.989 2.968 1.00 0.00 C ATOM 1288 CG ASP A 994 7.112 1.529 2.183 1.00 0.00 C ATOM 1289 OD1 ASP A 994 7.859 2.398 1.678 1.00 0.00 O ATOM 1290 OD2 ASP A 994 7.338 0.307 2.087 1.00 0.00 O ATOM 0 H ASP A 994 6.194 0.692 5.097 1.00 0.00 H new ATOM 0 HA ASP A 994 7.296 3.066 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 994 5.251 1.138 3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.334 2.701 2.372 1.00 0.00 H new ATOM 1295 N LEU A 995 4.055 3.404 4.846 1.00 0.00 N ATOM 1296 CA LEU A 995 3.024 4.358 5.283 1.00 0.00 C ATOM 1297 C LEU A 995 3.503 5.178 6.481 1.00 0.00 C ATOM 1298 O LEU A 995 3.130 6.342 6.604 1.00 0.00 O ATOM 1299 CB LEU A 995 1.702 3.677 5.643 1.00 0.00 C ATOM 1300 CG LEU A 995 0.736 4.565 6.444 1.00 0.00 C ATOM 1301 CD1 LEU A 995 0.159 5.671 5.571 1.00 0.00 C ATOM 1302 CD2 LEU A 995 -0.371 3.739 7.077 1.00 0.00 C ATOM 0 H LEU A 995 3.708 2.456 4.704 1.00 0.00 H new ATOM 0 HA LEU A 995 2.847 5.015 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 995 1.208 3.358 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 995 1.915 2.777 6.220 1.00 0.00 H new ATOM 0 HG LEU A 995 1.304 5.033 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 995 -0.521 6.284 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 995 0.969 6.293 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 995 -0.384 5.229 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 995 -1.039 4.394 7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 995 -0.935 3.227 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 995 0.065 3.002 7.752 1.00 0.00 H new ATOM 1314 N ALA A 996 4.356 4.639 7.324 1.00 0.00 N ATOM 1315 CA ALA A 996 4.848 5.426 8.455 1.00 0.00 C ATOM 1316 C ALA A 996 5.787 6.560 7.997 1.00 0.00 C ATOM 1317 O ALA A 996 5.726 7.671 8.538 1.00 0.00 O ATOM 1318 CB ALA A 996 5.517 4.542 9.491 1.00 0.00 C ATOM 0 H ALA A 996 4.720 3.688 7.261 1.00 0.00 H new ATOM 0 HA ALA A 996 3.982 5.893 8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 996 5.872 5.156 10.319 1.00 0.00 H new ATOM 0 HB2 ALA A 996 4.799 3.811 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 996 6.361 4.023 9.036 1.00 0.00 H new ATOM 1324 N GLU A 997 6.620 6.310 6.994 1.00 0.00 N ATOM 1325 CA GLU A 997 7.541 7.347 6.503 1.00 0.00 C ATOM 1326 C GLU A 997 6.793 8.326 5.617 1.00 0.00 C ATOM 1327 O GLU A 997 7.011 9.536 5.668 1.00 0.00 O ATOM 1328 CB GLU A 997 8.712 6.736 5.735 1.00 0.00 C ATOM 1329 CG GLU A 997 9.623 7.773 5.096 1.00 0.00 C ATOM 1330 CD GLU A 997 10.354 8.621 6.118 1.00 0.00 C ATOM 1331 OE1 GLU A 997 11.362 8.145 6.683 1.00 0.00 O ATOM 1332 OE2 GLU A 997 9.926 9.765 6.362 1.00 0.00 O ATOM 0 H GLU A 997 6.683 5.416 6.507 1.00 0.00 H new ATOM 0 HA GLU A 997 7.945 7.874 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.299 6.117 6.414 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.323 6.077 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 997 10.351 7.268 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.031 8.421 4.449 1.00 0.00 H new ATOM 1339 N LEU A 998 5.908 7.785 4.824 1.00 0.00 N ATOM 1340 CA LEU A 998 5.090 8.554 3.908 1.00 0.00 C ATOM 1341 C LEU A 998 4.265 9.603 4.655 1.00 0.00 C ATOM 1342 O LEU A 998 4.034 10.712 4.166 1.00 0.00 O ATOM 1343 CB LEU A 998 4.215 7.575 3.138 1.00 0.00 C ATOM 1344 CG LEU A 998 4.979 6.743 2.078 1.00 0.00 C ATOM 1345 CD1 LEU A 998 6.491 6.740 2.285 1.00 0.00 C ATOM 1346 CD2 LEU A 998 4.505 5.324 2.084 1.00 0.00 C ATOM 0 H LEU A 998 5.728 6.782 4.791 1.00 0.00 H new ATOM 0 HA LEU A 998 5.715 9.109 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.740 6.895 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.417 8.129 2.644 1.00 0.00 H new ATOM 0 HG LEU A 998 4.769 7.223 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 998 6.963 6.139 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 998 6.867 7.762 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 998 6.724 6.317 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 998 5.053 4.754 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 998 4.677 4.887 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.440 5.295 1.855 1.00 0.00 H new ATOM 1358 N ILE A 999 3.853 9.239 5.869 1.00 0.00 N ATOM 1359 CA ILE A 999 3.182 10.160 6.797 1.00 0.00 C ATOM 1360 C ILE A 999 4.125 11.268 7.280 1.00 0.00 C ATOM 1361 O ILE A 999 3.708 12.410 7.426 1.00 0.00 O ATOM 1362 CB ILE A 999 2.604 9.388 8.008 1.00 0.00 C ATOM 1363 CG1 ILE A 999 1.350 8.610 7.588 1.00 0.00 C ATOM 1364 CG2 ILE A 999 2.288 10.327 9.162 1.00 0.00 C ATOM 1365 CD1 ILE A 999 0.752 7.774 8.699 1.00 0.00 C ATOM 0 H ILE A 999 3.973 8.297 6.241 1.00 0.00 H new ATOM 0 HA ILE A 999 2.364 10.631 6.252 1.00 0.00 H new ATOM 0 HB ILE A 999 3.360 8.682 8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 999 0.599 9.314 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 999 1.601 7.959 6.750 1.00 0.00 H new ATOM 0 HG21 ILE A 999 1.884 9.754 9.997 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.199 10.835 9.478 1.00 0.00 H new ATOM 0 HG23 ILE A 999 1.554 11.066 8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 999 -0.131 7.253 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 999 1.486 7.045 9.041 1.00 0.00 H new ATOM 0 HD13 ILE A 999 0.469 8.421 9.529 1.00 0.00 H new ATOM 1377 N ASN A1000 5.390 10.945 7.514 1.00 0.00 N ATOM 1378 CA ASN A1000 6.365 11.951 7.962 1.00 0.00 C ATOM 1379 C ASN A1000 6.524 13.083 6.936 1.00 0.00 C ATOM 1380 O ASN A1000 6.724 14.249 7.291 1.00 0.00 O ATOM 1381 CB ASN A1000 7.726 11.296 8.219 1.00 0.00 C ATOM 1382 CG ASN A1000 7.819 10.645 9.591 1.00 0.00 C ATOM 1383 OD1 ASN A1000 8.904 10.542 10.170 1.00 0.00 O ATOM 1384 ND2 ASN A1000 6.689 10.205 10.126 1.00 0.00 N ATOM 0 H ASN A1000 5.770 10.005 7.405 1.00 0.00 H new ATOM 0 HA ASN A1000 5.986 12.382 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A1000 7.913 10.544 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A1000 8.509 12.048 8.125 1.00 0.00 H new ATOM 0 HD21 ASN A1000 6.698 9.764 11.046 1.00 0.00 H new ATOM 0 HD22 ASN A1000 5.810 10.307 9.618 1.00 0.00 H new ATOM 1391 N LYS A1001 6.424 12.728 5.664 1.00 0.00 N ATOM 1392 CA LYS A1001 6.647 13.676 4.574 1.00 0.00 C ATOM 1393 C LYS A1001 5.393 14.499 4.304 1.00 0.00 C ATOM 1394 O LYS A1001 5.449 15.720 4.135 1.00 0.00 O ATOM 1395 CB LYS A1001 7.095 12.922 3.321 1.00 0.00 C ATOM 1396 CG LYS A1001 8.420 12.200 3.514 1.00 0.00 C ATOM 1397 CD LYS A1001 9.542 13.188 3.782 1.00 0.00 C ATOM 1398 CE LYS A1001 10.846 12.499 4.149 1.00 0.00 C ATOM 1399 NZ LYS A1001 10.848 12.020 5.556 1.00 0.00 N ATOM 0 H LYS A1001 6.188 11.785 5.356 1.00 0.00 H new ATOM 0 HA LYS A1001 7.435 14.371 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.328 12.198 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A1001 7.186 13.624 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.340 11.500 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A1001 8.652 11.613 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A1001 9.697 13.806 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A1001 9.248 13.857 4.591 1.00 0.00 H new ATOM 0 HE2 LYS A1001 11.011 11.655 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A1001 11.675 13.191 4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 11.820 12.033 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 10.249 12.642 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.477 11.049 5.593 1.00 0.00 H new ATOM 1413 N MET A1002 4.257 13.830 4.338 1.00 0.00 N ATOM 1414 CA MET A1002 2.971 14.498 4.199 1.00 0.00 C ATOM 1415 C MET A1002 2.811 15.485 5.341 1.00 0.00 C ATOM 1416 O MET A1002 2.135 16.508 5.235 1.00 0.00 O ATOM 1417 CB MET A1002 1.811 13.480 4.206 1.00 0.00 C ATOM 1418 CG MET A1002 1.498 12.821 5.539 1.00 0.00 C ATOM 1419 SD MET A1002 0.415 13.810 6.589 1.00 0.00 S ATOM 1420 CE MET A1002 0.014 12.607 7.853 1.00 0.00 C ATOM 0 H MET A1002 4.195 12.819 4.461 1.00 0.00 H new ATOM 0 HA MET A1002 2.941 15.023 3.244 1.00 0.00 H new ATOM 0 HB2 MET A1002 0.911 13.985 3.855 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.039 12.697 3.483 1.00 0.00 H new ATOM 0 HG2 MET A1002 1.031 11.853 5.357 1.00 0.00 H new ATOM 0 HG3 MET A1002 2.431 12.630 6.069 1.00 0.00 H new ATOM 0 HE1 MET A1002 -1.067 12.472 7.897 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.489 11.656 7.614 1.00 0.00 H new ATOM 0 HE3 MET A1002 0.375 12.960 8.819 1.00 0.00 H new ATOM 1430 N LYS A1003 3.506 15.167 6.430 1.00 0.00 N ATOM 1431 CA LYS A1003 3.294 15.810 7.704 1.00 0.00 C ATOM 1432 C LYS A1003 3.824 17.234 7.675 1.00 0.00 C ATOM 1433 O LYS A1003 3.099 18.186 7.961 1.00 0.00 O ATOM 1434 CB LYS A1003 4.025 15.028 8.796 1.00 0.00 C ATOM 1435 CG LYS A1003 3.350 15.062 10.151 1.00 0.00 C ATOM 1436 CD LYS A1003 2.146 14.133 10.198 1.00 0.00 C ATOM 1437 CE LYS A1003 1.536 14.122 11.592 1.00 0.00 C ATOM 1438 NZ LYS A1003 0.445 13.124 11.735 1.00 0.00 N ATOM 0 H LYS A1003 4.233 14.452 6.444 1.00 0.00 H new ATOM 0 HA LYS A1003 2.224 15.832 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A1003 4.122 13.990 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A1003 5.035 15.427 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A1003 4.064 14.773 10.922 1.00 0.00 H new ATOM 0 HG3 LYS A1003 3.034 16.081 10.376 1.00 0.00 H new ATOM 0 HD2 LYS A1003 1.401 14.456 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A1003 2.447 13.123 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A1003 2.316 13.908 12.323 1.00 0.00 H new ATOM 0 HE3 LYS A1003 1.147 15.114 11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 0.066 13.160 12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 -0.314 13.340 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 0.818 12.172 11.544 1.00 0.00 H new ATOM 1452 N LEU A1004 5.091 17.377 7.301 1.00 0.00 N ATOM 1453 CA LEU A1004 5.722 18.691 7.244 1.00 0.00 C ATOM 1454 C LEU A1004 5.231 19.497 6.057 1.00 0.00 C ATOM 1455 O LEU A1004 5.428 20.711 6.011 1.00 0.00 O ATOM 1456 CB LEU A1004 7.252 18.599 7.221 1.00 0.00 C ATOM 1457 CG LEU A1004 7.910 18.294 8.572 1.00 0.00 C ATOM 1458 CD1 LEU A1004 7.667 16.853 8.991 1.00 0.00 C ATOM 1459 CD2 LEU A1004 9.399 18.585 8.520 1.00 0.00 C ATOM 0 H LEU A1004 5.699 16.603 7.034 1.00 0.00 H new ATOM 0 HA LEU A1004 5.431 19.208 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.542 17.825 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.651 19.541 6.846 1.00 0.00 H new ATOM 0 HG LEU A1004 7.453 18.944 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A1004 8.146 16.668 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A1004 6.595 16.676 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A1004 8.085 16.181 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A1004 9.847 18.362 9.488 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.864 17.965 7.753 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.556 19.637 8.281 1.00 0.00 H new ATOM 1471 N ALA A1005 4.559 18.854 5.122 1.00 0.00 N ATOM 1472 CA ALA A1005 4.033 19.587 3.989 1.00 0.00 C ATOM 1473 C ALA A1005 2.899 20.505 4.442 1.00 0.00 C ATOM 1474 O ALA A1005 2.868 21.663 4.062 1.00 0.00 O ATOM 1475 CB ALA A1005 3.601 18.660 2.868 1.00 0.00 C ATOM 0 H ALA A1005 4.368 17.852 5.122 1.00 0.00 H new ATOM 0 HA ALA A1005 4.831 20.207 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.213 19.250 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.456 18.075 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.823 17.988 3.231 1.00 0.00 H new ATOM 1481 N GLN A1006 1.985 20.014 5.266 1.00 0.00 N ATOM 1482 CA GLN A1006 0.961 20.886 5.844 1.00 0.00 C ATOM 1483 C GLN A1006 1.543 21.771 6.940 1.00 0.00 C ATOM 1484 O GLN A1006 1.070 22.895 7.133 1.00 0.00 O ATOM 1485 CB GLN A1006 -0.252 20.093 6.340 1.00 0.00 C ATOM 1486 CG GLN A1006 0.085 18.886 7.207 1.00 0.00 C ATOM 1487 CD GLN A1006 -0.039 19.168 8.693 1.00 0.00 C ATOM 1488 OE1 GLN A1006 0.165 20.291 9.149 1.00 0.00 O ATOM 1489 NE2 GLN A1006 -0.395 18.148 9.458 1.00 0.00 N ATOM 0 H GLN A1006 1.927 19.036 5.548 1.00 0.00 H new ATOM 0 HA GLN A1006 0.606 21.540 5.048 1.00 0.00 H new ATOM 0 HB2 GLN A1006 -0.898 20.762 6.908 1.00 0.00 H new ATOM 0 HB3 GLN A1006 -0.825 19.754 5.477 1.00 0.00 H new ATOM 0 HG2 GLN A1006 -0.576 18.061 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A1006 1.102 18.562 6.988 1.00 0.00 H new ATOM 0 HE21 GLN A1006 -0.555 17.230 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A1006 -0.509 18.280 10.463 1.00 0.00 H new ATOM 1498 N GLN A1007 2.590 21.303 7.617 1.00 0.00 N ATOM 1499 CA GLN A1007 3.286 22.139 8.591 1.00 0.00 C ATOM 1500 C GLN A1007 3.631 23.489 7.976 1.00 0.00 C ATOM 1501 O GLN A1007 3.216 24.538 8.465 1.00 0.00 O ATOM 1502 CB GLN A1007 4.568 21.464 9.086 1.00 0.00 C ATOM 1503 CG GLN A1007 4.342 20.252 9.986 1.00 0.00 C ATOM 1504 CD GLN A1007 3.774 20.592 11.359 1.00 0.00 C ATOM 1505 OE1 GLN A1007 4.084 19.925 12.346 1.00 0.00 O ATOM 1506 NE2 GLN A1007 2.926 21.605 11.435 1.00 0.00 N ATOM 0 H GLN A1007 2.970 20.363 7.511 1.00 0.00 H new ATOM 0 HA GLN A1007 2.619 22.283 9.441 1.00 0.00 H new ATOM 0 HB2 GLN A1007 5.156 21.154 8.222 1.00 0.00 H new ATOM 0 HB3 GLN A1007 5.163 22.198 9.630 1.00 0.00 H new ATOM 0 HG2 GLN A1007 3.663 19.563 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A1007 5.289 19.728 10.116 1.00 0.00 H new ATOM 0 HE21 GLN A1007 2.691 22.137 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A1007 2.508 21.854 12.331 1.00 0.00 H new ATOM 1515 N TYR A1008 4.370 23.458 6.881 1.00 0.00 N ATOM 1516 CA TYR A1008 4.674 24.677 6.156 1.00 0.00 C ATOM 1517 C TYR A1008 3.878 24.723 4.858 1.00 0.00 C ATOM 1518 O TYR A1008 4.380 25.207 3.839 1.00 0.00 O ATOM 1519 CB TYR A1008 6.167 24.784 5.846 1.00 0.00 C ATOM 1520 CG TYR A1008 7.042 25.175 7.016 1.00 0.00 C ATOM 1521 CD1 TYR A1008 7.247 24.314 8.087 1.00 0.00 C ATOM 1522 CD2 TYR A1008 7.693 26.402 7.029 1.00 0.00 C ATOM 1523 CE1 TYR A1008 8.075 24.664 9.134 1.00 0.00 C ATOM 1524 CE2 TYR A1008 8.517 26.760 8.075 1.00 0.00 C ATOM 1525 CZ TYR A1008 8.707 25.889 9.122 1.00 0.00 C ATOM 1526 OH TYR A1008 9.541 26.242 10.157 1.00 0.00 O ATOM 0 H TYR A1008 4.767 22.609 6.478 1.00 0.00 H new ATOM 0 HA TYR A1008 4.395 25.520 6.788 1.00 0.00 H new ATOM 0 HB2 TYR A1008 6.511 23.824 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A1008 6.305 25.515 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A1008 6.750 23.355 8.100 1.00 0.00 H new ATOM 0 HD2 TYR A1008 7.551 27.087 6.206 1.00 0.00 H new ATOM 0 HE1 TYR A1008 8.227 23.982 9.958 1.00 0.00 H new ATOM 0 HE2 TYR A1008 9.011 27.720 8.072 1.00 0.00 H new ATOM 0 HH TYR A1008 9.906 27.136 9.992 1.00 0.00 H new ATOM 1536 N VAL A1009 2.644 24.194 4.898 1.00 0.00 N ATOM 1537 CA VAL A1009 1.717 24.264 3.761 1.00 0.00 C ATOM 1538 C VAL A1009 1.695 25.654 3.166 1.00 0.00 C ATOM 1539 O VAL A1009 1.440 25.833 1.975 1.00 0.00 O ATOM 1540 CB VAL A1009 0.270 23.898 4.155 1.00 0.00 C ATOM 1541 CG1 VAL A1009 -0.267 24.876 5.201 1.00 0.00 C ATOM 1542 CG2 VAL A1009 -0.610 23.893 2.919 1.00 0.00 C ATOM 0 H VAL A1009 2.265 23.710 5.712 1.00 0.00 H new ATOM 0 HA VAL A1009 2.084 23.539 3.034 1.00 0.00 H new ATOM 0 HB VAL A1009 0.263 22.901 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -1.288 24.601 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A1009 0.361 24.838 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -0.257 25.887 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -1.631 23.634 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -0.599 24.882 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -0.233 23.159 2.207 1.00 0.00 H new ATOM 1552 N MET A1010 1.957 26.622 4.025 1.00 0.00 N ATOM 1553 CA MET A1010 2.008 28.018 3.637 1.00 0.00 C ATOM 1554 C MET A1010 2.700 28.202 2.282 1.00 0.00 C ATOM 1555 O MET A1010 2.187 28.923 1.427 1.00 0.00 O ATOM 1556 CB MET A1010 2.725 28.832 4.706 1.00 0.00 C ATOM 1557 CG MET A1010 2.334 30.295 4.693 1.00 0.00 C ATOM 1558 SD MET A1010 3.226 31.266 5.924 1.00 0.00 S ATOM 1559 CE MET A1010 4.919 31.038 5.382 1.00 0.00 C ATOM 0 H MET A1010 2.141 26.460 5.015 1.00 0.00 H new ATOM 0 HA MET A1010 0.983 28.374 3.538 1.00 0.00 H new ATOM 0 HB2 MET A1010 2.503 28.410 5.686 1.00 0.00 H new ATOM 0 HB3 MET A1010 3.802 28.747 4.559 1.00 0.00 H new ATOM 0 HG2 MET A1010 2.524 30.709 3.703 1.00 0.00 H new ATOM 0 HG3 MET A1010 1.263 30.382 4.874 1.00 0.00 H new ATOM 0 HE1 MET A1010 5.540 31.840 5.781 1.00 0.00 H new ATOM 0 HE2 MET A1010 5.290 30.078 5.742 1.00 0.00 H new ATOM 0 HE3 MET A1010 4.958 31.057 4.293 1.00 0.00 H new ATOM 1569 N THR A1011 3.850 27.540 2.072 1.00 0.00 N ATOM 1570 CA THR A1011 4.532 27.602 0.771 1.00 0.00 C ATOM 1571 C THR A1011 5.548 26.461 0.569 1.00 0.00 C ATOM 1572 O THR A1011 5.240 25.423 -0.046 1.00 0.00 O ATOM 1573 CB THR A1011 5.278 28.949 0.567 1.00 0.00 C ATOM 1574 OG1 THR A1011 4.404 30.059 0.802 1.00 0.00 O ATOM 1575 CG2 THR A1011 5.837 29.050 -0.846 1.00 0.00 C ATOM 0 H THR A1011 4.319 26.966 2.773 1.00 0.00 H new ATOM 0 HA THR A1011 3.734 27.502 0.036 1.00 0.00 H new ATOM 0 HB THR A1011 6.098 28.978 1.284 1.00 0.00 H new ATOM 0 HG1 THR A1011 3.474 29.773 0.687 1.00 0.00 H new ATOM 0 HG21 THR A1011 6.355 30.002 -0.965 1.00 0.00 H new ATOM 0 HG22 THR A1011 6.536 28.232 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A1011 5.021 28.989 -1.566 1.00 0.00 H new ATOM 1583 N SER A1012 6.746 26.665 1.124 1.00 0.00 N ATOM 1584 CA SER A1012 7.935 25.884 0.780 1.00 0.00 C ATOM 1585 C SER A1012 7.738 24.382 0.961 1.00 0.00 C ATOM 1586 O SER A1012 7.649 23.635 -0.018 1.00 0.00 O ATOM 1587 CB SER A1012 9.122 26.366 1.617 1.00 0.00 C ATOM 1588 OG SER A1012 8.761 26.499 2.985 1.00 0.00 O ATOM 0 H SER A1012 6.918 27.382 1.829 1.00 0.00 H new ATOM 0 HA SER A1012 8.130 26.044 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A1012 9.948 25.661 1.522 1.00 0.00 H new ATOM 0 HB3 SER A1012 9.475 27.324 1.236 1.00 0.00 H new ATOM 0 HG SER A1012 9.536 26.806 3.500 1.00 0.00 H new ATOM 1594 N LEU A1013 7.673 23.950 2.214 1.00 0.00 N ATOM 1595 CA LEU A1013 7.526 22.542 2.543 1.00 0.00 C ATOM 1596 C LEU A1013 6.374 21.899 1.817 1.00 0.00 C ATOM 1597 O LEU A1013 6.480 20.762 1.383 1.00 0.00 O ATOM 1598 CB LEU A1013 7.302 22.363 4.032 1.00 0.00 C ATOM 1599 CG LEU A1013 8.561 21.998 4.825 1.00 0.00 C ATOM 1600 CD1 LEU A1013 9.627 23.071 4.668 1.00 0.00 C ATOM 1601 CD2 LEU A1013 8.243 21.783 6.293 1.00 0.00 C ATOM 0 H LEU A1013 7.721 24.565 3.026 1.00 0.00 H new ATOM 0 HA LEU A1013 8.452 22.059 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A1013 6.887 23.286 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A1013 6.554 21.584 4.183 1.00 0.00 H new ATOM 0 HG LEU A1013 8.946 21.062 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A1013 10.512 22.791 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A1013 9.891 23.170 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A1013 9.243 24.022 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A1013 9.156 21.525 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A1013 7.822 22.697 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A1013 7.522 20.972 6.394 1.00 0.00 H new ATOM 1613 N GLN A1014 5.290 22.634 1.670 1.00 0.00 N ATOM 1614 CA GLN A1014 4.051 22.048 1.221 1.00 0.00 C ATOM 1615 C GLN A1014 4.225 21.314 -0.103 1.00 0.00 C ATOM 1616 O GLN A1014 3.895 20.141 -0.220 1.00 0.00 O ATOM 1617 CB GLN A1014 2.989 23.124 1.095 1.00 0.00 C ATOM 1618 CG GLN A1014 1.860 22.746 0.162 1.00 0.00 C ATOM 1619 CD GLN A1014 1.665 23.762 -0.947 1.00 0.00 C ATOM 1620 OE1 GLN A1014 0.552 23.977 -1.418 1.00 0.00 O ATOM 1621 NE2 GLN A1014 2.754 24.386 -1.384 1.00 0.00 N ATOM 0 H GLN A1014 5.246 23.636 1.855 1.00 0.00 H new ATOM 0 HA GLN A1014 3.735 21.314 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.579 23.337 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A1014 3.454 24.043 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.065 21.769 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A1014 0.936 22.652 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.662 24.180 -0.967 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.682 25.071 -2.136 1.00 0.00 H new ATOM 1630 N GLN A1015 4.771 22.022 -1.089 1.00 0.00 N ATOM 1631 CA GLN A1015 4.911 21.474 -2.437 1.00 0.00 C ATOM 1632 C GLN A1015 6.021 20.427 -2.505 1.00 0.00 C ATOM 1633 O GLN A1015 5.897 19.420 -3.201 1.00 0.00 O ATOM 1634 CB GLN A1015 5.152 22.602 -3.444 1.00 0.00 C ATOM 1635 CG GLN A1015 6.196 23.621 -3.013 1.00 0.00 C ATOM 1636 CD GLN A1015 6.089 24.921 -3.792 1.00 0.00 C ATOM 1637 OE1 GLN A1015 7.080 25.616 -4.013 1.00 0.00 O ATOM 1638 NE2 GLN A1015 4.879 25.258 -4.209 1.00 0.00 N ATOM 0 H GLN A1015 5.123 22.973 -0.981 1.00 0.00 H new ATOM 0 HA GLN A1015 3.980 20.971 -2.697 1.00 0.00 H new ATOM 0 HB2 GLN A1015 5.460 22.164 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A1015 4.210 23.120 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A1015 6.081 23.827 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A1015 7.191 23.198 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A1015 4.083 24.654 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A1015 4.743 26.122 -4.734 1.00 0.00 H new ATOM 1647 N GLU A1016 7.085 20.663 -1.759 1.00 0.00 N ATOM 1648 CA GLU A1016 8.222 19.748 -1.691 1.00 0.00 C ATOM 1649 C GLU A1016 7.849 18.437 -0.990 1.00 0.00 C ATOM 1650 O GLU A1016 7.947 17.357 -1.572 1.00 0.00 O ATOM 1651 CB GLU A1016 9.354 20.442 -0.930 1.00 0.00 C ATOM 1652 CG GLU A1016 10.586 19.585 -0.725 1.00 0.00 C ATOM 1653 CD GLU A1016 11.684 20.318 0.018 1.00 0.00 C ATOM 1654 OE1 GLU A1016 12.457 21.047 -0.631 1.00 0.00 O ATOM 1655 OE2 GLU A1016 11.779 20.169 1.256 1.00 0.00 O ATOM 0 H GLU A1016 7.190 21.496 -1.180 1.00 0.00 H new ATOM 0 HA GLU A1016 8.537 19.498 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A1016 9.640 21.344 -1.471 1.00 0.00 H new ATOM 0 HB3 GLU A1016 8.980 20.759 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A1016 10.312 18.688 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A1016 10.963 19.258 -1.694 1.00 0.00 H new ATOM 1662 N TYR A1017 7.382 18.560 0.239 1.00 0.00 N ATOM 1663 CA TYR A1017 7.046 17.433 1.096 1.00 0.00 C ATOM 1664 C TYR A1017 5.936 16.559 0.546 1.00 0.00 C ATOM 1665 O TYR A1017 5.897 15.355 0.765 1.00 0.00 O ATOM 1666 CB TYR A1017 6.618 18.009 2.428 1.00 0.00 C ATOM 1667 CG TYR A1017 7.817 18.056 3.350 1.00 0.00 C ATOM 1668 CD1 TYR A1017 8.708 19.117 3.313 1.00 0.00 C ATOM 1669 CD2 TYR A1017 8.098 16.997 4.204 1.00 0.00 C ATOM 1670 CE1 TYR A1017 9.843 19.125 4.104 1.00 0.00 C ATOM 1671 CE2 TYR A1017 9.223 17.002 5.005 1.00 0.00 C ATOM 1672 CZ TYR A1017 10.094 18.067 4.949 1.00 0.00 C ATOM 1673 OH TYR A1017 11.227 18.065 5.734 1.00 0.00 O ATOM 0 H TYR A1017 7.222 19.465 0.681 1.00 0.00 H new ATOM 0 HA TYR A1017 7.921 16.787 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A1017 6.208 19.010 2.292 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.829 17.398 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.513 19.951 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.424 16.154 4.242 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.529 19.958 4.059 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.419 16.175 5.672 1.00 0.00 H new ATOM 0 HH TYR A1017 11.475 18.988 5.953 1.00 0.00 H new ATOM 1683 N LYS A1018 5.012 17.216 -0.155 1.00 0.00 N ATOM 1684 CA LYS A1018 3.827 16.577 -0.706 1.00 0.00 C ATOM 1685 C LYS A1018 4.162 15.855 -1.996 1.00 0.00 C ATOM 1686 O LYS A1018 3.555 14.841 -2.335 1.00 0.00 O ATOM 1687 CB LYS A1018 2.735 17.612 -0.965 1.00 0.00 C ATOM 1688 CG LYS A1018 1.562 17.082 -1.770 1.00 0.00 C ATOM 1689 CD LYS A1018 0.796 15.998 -1.029 1.00 0.00 C ATOM 1690 CE LYS A1018 -0.353 15.485 -1.875 1.00 0.00 C ATOM 1691 NZ LYS A1018 -1.432 14.875 -1.058 1.00 0.00 N ATOM 0 H LYS A1018 5.070 18.214 -0.356 1.00 0.00 H new ATOM 0 HA LYS A1018 3.464 15.851 0.021 1.00 0.00 H new ATOM 0 HB2 LYS A1018 2.368 17.985 -0.009 1.00 0.00 H new ATOM 0 HB3 LYS A1018 3.171 18.461 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A1018 0.886 17.904 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A1018 1.925 16.684 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A1018 1.467 15.176 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.414 16.393 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.765 16.308 -2.460 1.00 0.00 H new ATOM 0 HE3 LYS A1018 0.023 14.747 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -1.916 14.141 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.021 14.448 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -2.116 15.608 -0.783 1.00 0.00 H new ATOM 1705 N LYS A1019 5.115 16.389 -2.733 1.00 0.00 N ATOM 1706 CA LYS A1019 5.560 15.727 -3.945 1.00 0.00 C ATOM 1707 C LYS A1019 6.410 14.530 -3.574 1.00 0.00 C ATOM 1708 O LYS A1019 6.365 13.490 -4.225 1.00 0.00 O ATOM 1709 CB LYS A1019 6.276 16.706 -4.872 1.00 0.00 C ATOM 1710 CG LYS A1019 5.316 17.332 -5.882 1.00 0.00 C ATOM 1711 CD LYS A1019 3.976 17.682 -5.236 1.00 0.00 C ATOM 1712 CE LYS A1019 2.915 18.061 -6.264 1.00 0.00 C ATOM 1713 NZ LYS A1019 3.351 19.167 -7.157 1.00 0.00 N ATOM 0 H LYS A1019 5.591 17.266 -2.520 1.00 0.00 H new ATOM 0 HA LYS A1019 4.700 15.362 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A1019 6.744 17.492 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A1019 7.075 16.187 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A1019 5.765 18.232 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A1019 5.153 16.640 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.624 16.831 -4.652 1.00 0.00 H new ATOM 0 HD3 LYS A1019 4.116 18.510 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A1019 2.671 17.187 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.002 18.356 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.550 19.476 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 3.687 19.966 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 4.122 18.834 -7.771 1.00 0.00 H new ATOM 1727 N GLN A1020 7.163 14.690 -2.502 1.00 0.00 N ATOM 1728 CA GLN A1020 7.674 13.561 -1.747 1.00 0.00 C ATOM 1729 C GLN A1020 6.515 12.679 -1.292 1.00 0.00 C ATOM 1730 O GLN A1020 6.598 11.465 -1.388 1.00 0.00 O ATOM 1731 CB GLN A1020 8.441 14.047 -0.515 1.00 0.00 C ATOM 1732 CG GLN A1020 9.654 14.901 -0.835 1.00 0.00 C ATOM 1733 CD GLN A1020 10.332 15.425 0.415 1.00 0.00 C ATOM 1734 OE1 GLN A1020 10.303 14.790 1.462 1.00 0.00 O ATOM 1735 NE2 GLN A1020 10.944 16.587 0.317 1.00 0.00 N ATOM 0 H GLN A1020 7.436 15.600 -2.132 1.00 0.00 H new ATOM 0 HA GLN A1020 8.346 12.991 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A1020 7.764 14.620 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.763 13.181 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A1020 10.367 14.314 -1.414 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.350 15.740 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A1020 10.948 17.088 -0.571 1.00 0.00 H new ATOM 0 HE22 GLN A1020 11.414 16.986 1.130 1.00 0.00 H new ATOM 1744 N MET A1021 5.419 13.290 -0.850 1.00 0.00 N ATOM 1745 CA MET A1021 4.327 12.540 -0.245 1.00 0.00 C ATOM 1746 C MET A1021 3.653 11.625 -1.243 1.00 0.00 C ATOM 1747 O MET A1021 3.513 10.442 -0.986 1.00 0.00 O ATOM 1748 CB MET A1021 3.272 13.463 0.375 1.00 0.00 C ATOM 1749 CG MET A1021 2.202 12.717 1.160 1.00 0.00 C ATOM 1750 SD MET A1021 0.896 12.026 0.125 1.00 0.00 S ATOM 1751 CE MET A1021 0.166 10.853 1.266 1.00 0.00 C ATOM 0 H MET A1021 5.266 14.297 -0.900 1.00 0.00 H new ATOM 0 HA MET A1021 4.779 11.938 0.543 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.766 14.175 1.036 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.795 14.041 -0.417 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.672 11.911 1.723 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.757 13.396 1.887 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.627 10.300 0.762 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.931 10.157 1.611 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.250 11.387 2.120 1.00 0.00 H new ATOM 1761 N LEU A1022 3.248 12.158 -2.390 1.00 0.00 N ATOM 1762 CA LEU A1022 2.451 11.364 -3.311 1.00 0.00 C ATOM 1763 C LEU A1022 3.337 10.413 -4.092 1.00 0.00 C ATOM 1764 O LEU A1022 2.854 9.461 -4.683 1.00 0.00 O ATOM 1765 CB LEU A1022 1.649 12.235 -4.274 1.00 0.00 C ATOM 1766 CG LEU A1022 2.224 12.311 -5.688 1.00 0.00 C ATOM 1767 CD1 LEU A1022 1.129 12.648 -6.686 1.00 0.00 C ATOM 1768 CD2 LEU A1022 3.340 13.343 -5.766 1.00 0.00 C ATOM 0 H LEU A1022 3.452 13.109 -2.697 1.00 0.00 H new ATOM 0 HA LEU A1022 1.742 10.792 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.631 11.850 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.587 13.244 -3.866 1.00 0.00 H new ATOM 0 HG LEU A1022 2.641 11.335 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A1022 1.554 12.699 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A1022 0.360 11.876 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A1022 0.687 13.611 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A1022 3.733 13.378 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A1022 2.949 14.323 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A1022 4.139 13.068 -5.078 1.00 0.00 H new ATOM 1780 N THR A1023 4.631 10.700 -4.116 1.00 0.00 N ATOM 1781 CA THR A1023 5.591 9.812 -4.742 1.00 0.00 C ATOM 1782 C THR A1023 5.988 8.728 -3.748 1.00 0.00 C ATOM 1783 O THR A1023 6.366 7.623 -4.126 1.00 0.00 O ATOM 1784 CB THR A1023 6.837 10.581 -5.227 1.00 0.00 C ATOM 1785 OG1 THR A1023 6.430 11.667 -6.068 1.00 0.00 O ATOM 1786 CG2 THR A1023 7.783 9.673 -6.000 1.00 0.00 C ATOM 0 H THR A1023 5.037 11.542 -3.708 1.00 0.00 H new ATOM 0 HA THR A1023 5.129 9.357 -5.618 1.00 0.00 H new ATOM 0 HB THR A1023 7.365 10.959 -4.351 1.00 0.00 H new ATOM 0 HG1 THR A1023 6.085 12.398 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A1023 8.651 10.246 -6.328 1.00 0.00 H new ATOM 0 HG22 THR A1023 8.110 8.856 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A1023 7.267 9.266 -6.870 1.00 0.00 H new ATOM 1794 N ALA A1024 5.892 9.065 -2.468 1.00 0.00 N ATOM 1795 CA ALA A1024 6.077 8.111 -1.396 1.00 0.00 C ATOM 1796 C ALA A1024 4.792 7.321 -1.188 1.00 0.00 C ATOM 1797 O ALA A1024 4.803 6.190 -0.753 1.00 0.00 O ATOM 1798 CB ALA A1024 6.507 8.825 -0.128 1.00 0.00 C ATOM 0 H ALA A1024 5.683 10.011 -2.149 1.00 0.00 H new ATOM 0 HA ALA A1024 6.868 7.409 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.643 8.097 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A1024 7.446 9.348 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.741 9.544 0.163 1.00 0.00 H new ATOM 1804 N ALA A1025 3.680 7.935 -1.508 1.00 0.00 N ATOM 1805 CA ALA A1025 2.408 7.242 -1.579 1.00 0.00 C ATOM 1806 C ALA A1025 2.293 6.576 -2.941 1.00 0.00 C ATOM 1807 O ALA A1025 1.509 5.651 -3.119 1.00 0.00 O ATOM 1808 CB ALA A1025 1.243 8.168 -1.270 1.00 0.00 C ATOM 0 H ALA A1025 3.626 8.930 -1.728 1.00 0.00 H new ATOM 0 HA ALA A1025 2.366 6.469 -0.812 1.00 0.00 H new ATOM 0 HB1 ALA A1025 0.308 7.611 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.357 8.572 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A1025 1.227 8.986 -1.990 1.00 0.00 H new ATOM 1814 N HIS A1026 3.075 7.033 -3.901 1.00 0.00 N ATOM 1815 CA HIS A1026 3.333 6.234 -5.088 1.00 0.00 C ATOM 1816 C HIS A1026 4.309 5.120 -4.730 1.00 0.00 C ATOM 1817 O HIS A1026 4.381 4.122 -5.415 1.00 0.00 O ATOM 1818 CB HIS A1026 3.872 7.074 -6.249 1.00 0.00 C ATOM 1819 CG HIS A1026 3.901 6.336 -7.555 1.00 0.00 C ATOM 1820 ND1 HIS A1026 5.065 5.962 -8.186 1.00 0.00 N ATOM 1821 CD2 HIS A1026 2.892 5.905 -8.349 1.00 0.00 C ATOM 1822 CE1 HIS A1026 4.773 5.334 -9.310 1.00 0.00 C ATOM 1823 NE2 HIS A1026 3.460 5.286 -9.432 1.00 0.00 N ATOM 0 H HIS A1026 3.538 7.942 -3.885 1.00 0.00 H new ATOM 0 HA HIS A1026 2.389 5.809 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A1026 3.256 7.967 -6.358 1.00 0.00 H new ATOM 0 HB3 HIS A1026 4.880 7.410 -6.007 1.00 0.00 H new ATOM 0 HD2 HIS A1026 1.835 6.027 -8.163 1.00 0.00 H new ATOM 0 HE1 HIS A1026 5.488 4.928 -10.011 1.00 0.00 H new ATOM 0 HE2 HIS A1026 2.951 4.858 -10.206 1.00 0.00 H new ATOM 1832 N ALA A1027 5.060 5.314 -3.655 1.00 0.00 N ATOM 1833 CA ALA A1027 5.835 4.243 -3.005 1.00 0.00 C ATOM 1834 C ALA A1027 4.907 3.322 -2.234 1.00 0.00 C ATOM 1835 O ALA A1027 5.095 2.110 -2.261 1.00 0.00 O ATOM 1836 CB ALA A1027 6.904 4.823 -2.089 1.00 0.00 C ATOM 0 H ALA A1027 5.156 6.221 -3.199 1.00 0.00 H new ATOM 0 HA ALA A1027 6.339 3.663 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A1027 7.462 4.012 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A1027 7.585 5.443 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A1027 6.431 5.430 -1.317 1.00 0.00 H new ATOM 1842 N LEU A1028 3.904 3.865 -1.573 1.00 0.00 N ATOM 1843 CA LEU A1028 2.802 3.037 -1.115 1.00 0.00 C ATOM 1844 C LEU A1028 2.220 2.306 -2.316 1.00 0.00 C ATOM 1845 O LEU A1028 2.073 1.104 -2.286 1.00 0.00 O ATOM 1846 CB LEU A1028 1.720 3.868 -0.416 1.00 0.00 C ATOM 1847 CG LEU A1028 1.979 4.211 1.049 1.00 0.00 C ATOM 1848 CD1 LEU A1028 0.906 5.161 1.562 1.00 0.00 C ATOM 1849 CD2 LEU A1028 2.012 2.941 1.890 1.00 0.00 C ATOM 0 H LEU A1028 3.827 4.856 -1.343 1.00 0.00 H new ATOM 0 HA LEU A1028 3.175 2.322 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A1028 1.591 4.799 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A1028 0.776 3.326 -0.480 1.00 0.00 H new ATOM 0 HG LEU A1028 2.948 4.704 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.101 5.399 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A1028 0.920 6.078 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A1028 -0.072 4.687 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A1028 2.197 3.200 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A1028 1.055 2.426 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A1028 2.807 2.288 1.531 1.00 0.00 H new ATOM 1861 N ALA A1029 1.934 3.026 -3.382 1.00 0.00 N ATOM 1862 CA ALA A1029 1.414 2.412 -4.597 1.00 0.00 C ATOM 1863 C ALA A1029 2.375 1.377 -5.193 1.00 0.00 C ATOM 1864 O ALA A1029 1.936 0.341 -5.689 1.00 0.00 O ATOM 1865 CB ALA A1029 1.103 3.485 -5.627 1.00 0.00 C ATOM 0 H ALA A1029 2.051 4.038 -3.436 1.00 0.00 H new ATOM 0 HA ALA A1029 0.501 1.882 -4.324 1.00 0.00 H new ATOM 0 HB1 ALA A1029 0.715 3.019 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A1029 0.358 4.171 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A1029 2.013 4.036 -5.864 1.00 0.00 H new ATOM 1871 N VAL A1030 3.675 1.654 -5.154 1.00 0.00 N ATOM 1872 CA VAL A1030 4.657 0.772 -5.778 1.00 0.00 C ATOM 1873 C VAL A1030 4.884 -0.474 -4.935 1.00 0.00 C ATOM 1874 O VAL A1030 4.801 -1.602 -5.423 1.00 0.00 O ATOM 1875 CB VAL A1030 6.013 1.495 -5.989 1.00 0.00 C ATOM 1876 CG1 VAL A1030 7.149 0.499 -6.182 1.00 0.00 C ATOM 1877 CG2 VAL A1030 5.939 2.417 -7.196 1.00 0.00 C ATOM 0 H VAL A1030 4.072 2.477 -4.700 1.00 0.00 H new ATOM 0 HA VAL A1030 4.254 0.483 -6.749 1.00 0.00 H new ATOM 0 HB VAL A1030 6.215 2.082 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A1030 8.085 1.038 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A1030 7.229 -0.136 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A1030 6.947 -0.119 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A1030 6.898 2.917 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A1030 5.706 1.833 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A1030 5.160 3.163 -7.037 1.00 0.00 H new ATOM 1887 N ASP A1031 5.161 -0.255 -3.658 1.00 0.00 N ATOM 1888 CA ASP A1031 5.476 -1.341 -2.755 1.00 0.00 C ATOM 1889 C ASP A1031 4.229 -2.112 -2.371 1.00 0.00 C ATOM 1890 O ASP A1031 4.294 -3.309 -2.194 1.00 0.00 O ATOM 1891 CB ASP A1031 6.225 -0.848 -1.514 1.00 0.00 C ATOM 1892 CG ASP A1031 7.685 -0.557 -1.814 1.00 0.00 C ATOM 1893 OD1 ASP A1031 8.505 -1.506 -1.795 1.00 0.00 O ATOM 1894 OD2 ASP A1031 8.022 0.610 -2.093 1.00 0.00 O ATOM 0 H ASP A1031 5.173 0.669 -3.227 1.00 0.00 H new ATOM 0 HA ASP A1031 6.142 -2.022 -3.286 1.00 0.00 H new ATOM 0 HB2 ASP A1031 5.745 0.054 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A1031 6.159 -1.599 -0.727 1.00 0.00 H new ATOM 1899 N ALA A1032 3.087 -1.440 -2.264 1.00 0.00 N ATOM 1900 CA ALA A1032 1.828 -2.146 -2.018 1.00 0.00 C ATOM 1901 C ALA A1032 1.418 -2.921 -3.258 1.00 0.00 C ATOM 1902 O ALA A1032 0.718 -3.924 -3.154 1.00 0.00 O ATOM 1903 CB ALA A1032 0.716 -1.210 -1.575 1.00 0.00 C ATOM 0 H ALA A1032 3.003 -0.426 -2.342 1.00 0.00 H new ATOM 0 HA ALA A1032 1.996 -2.843 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -0.196 -1.783 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.007 -0.710 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A1032 0.538 -0.465 -2.350 1.00 0.00 H new ATOM 1909 N LYS A1033 1.876 -2.480 -4.424 1.00 0.00 N ATOM 1910 CA LYS A1033 1.767 -3.299 -5.620 1.00 0.00 C ATOM 1911 C LYS A1033 2.592 -4.561 -5.424 1.00 0.00 C ATOM 1912 O LYS A1033 2.109 -5.676 -5.595 1.00 0.00 O ATOM 1913 CB LYS A1033 2.292 -2.563 -6.854 1.00 0.00 C ATOM 1914 CG LYS A1033 2.188 -3.396 -8.124 1.00 0.00 C ATOM 1915 CD LYS A1033 2.942 -2.763 -9.278 1.00 0.00 C ATOM 1916 CE LYS A1033 2.852 -3.612 -10.539 1.00 0.00 C ATOM 1917 NZ LYS A1033 3.371 -4.991 -10.332 1.00 0.00 N ATOM 0 H LYS A1033 2.320 -1.572 -4.564 1.00 0.00 H new ATOM 0 HA LYS A1033 0.715 -3.534 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A1033 1.732 -1.637 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A1033 3.333 -2.286 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A1033 2.583 -4.395 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A1033 1.139 -3.514 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A1033 2.537 -1.771 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A1033 3.988 -2.631 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A1033 1.814 -3.663 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A1033 3.415 -3.131 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 3.511 -5.451 -11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 4.278 -4.948 -9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 2.687 -5.539 -9.772 1.00 0.00 H new ATOM 1931 N ASN A1034 3.852 -4.347 -5.047 1.00 0.00 N ATOM 1932 CA ASN A1034 4.812 -5.425 -4.853 1.00 0.00 C ATOM 1933 C ASN A1034 4.389 -6.351 -3.722 1.00 0.00 C ATOM 1934 O ASN A1034 4.371 -7.548 -3.893 1.00 0.00 O ATOM 1935 CB ASN A1034 6.197 -4.859 -4.542 1.00 0.00 C ATOM 1936 CG ASN A1034 7.257 -5.937 -4.404 1.00 0.00 C ATOM 1937 OD1 ASN A1034 7.196 -6.981 -5.054 1.00 0.00 O ATOM 1938 ND2 ASN A1034 8.240 -5.691 -3.552 1.00 0.00 N ATOM 0 H ASN A1034 4.233 -3.418 -4.868 1.00 0.00 H new ATOM 0 HA ASN A1034 4.847 -5.997 -5.780 1.00 0.00 H new ATOM 0 HB2 ASN A1034 6.488 -4.169 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A1034 6.150 -4.282 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A1034 8.981 -6.378 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A1034 8.256 -4.814 -3.031 1.00 0.00 H new ATOM 1945 N LEU A1035 4.059 -5.782 -2.569 1.00 0.00 N ATOM 1946 CA LEU A1035 3.676 -6.566 -1.396 1.00 0.00 C ATOM 1947 C LEU A1035 2.457 -7.426 -1.704 1.00 0.00 C ATOM 1948 O LEU A1035 2.420 -8.586 -1.301 1.00 0.00 O ATOM 1949 CB LEU A1035 3.416 -5.676 -0.181 1.00 0.00 C ATOM 1950 CG LEU A1035 4.660 -5.197 0.575 1.00 0.00 C ATOM 1951 CD1 LEU A1035 5.938 -5.660 -0.107 1.00 0.00 C ATOM 1952 CD2 LEU A1035 4.639 -3.684 0.726 1.00 0.00 C ATOM 0 H LEU A1035 4.048 -4.773 -2.419 1.00 0.00 H new ATOM 0 HA LEU A1035 4.512 -7.220 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.854 -4.801 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A1035 2.779 -6.221 0.515 1.00 0.00 H new ATOM 0 HG LEU A1035 4.643 -5.643 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A1035 6.801 -5.303 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A1035 5.956 -6.749 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A1035 5.975 -5.260 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A1035 5.529 -3.360 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A1035 4.623 -3.220 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A1035 3.750 -3.386 1.282 1.00 0.00 H new ATOM 1964 N LEU A1036 1.457 -6.895 -2.407 1.00 0.00 N ATOM 1965 CA LEU A1036 0.308 -7.744 -2.691 1.00 0.00 C ATOM 1966 C LEU A1036 0.716 -8.830 -3.692 1.00 0.00 C ATOM 1967 O LEU A1036 0.342 -9.998 -3.567 1.00 0.00 O ATOM 1968 CB LEU A1036 -0.909 -6.931 -3.169 1.00 0.00 C ATOM 1969 CG LEU A1036 -0.851 -6.371 -4.603 1.00 0.00 C ATOM 1970 CD1 LEU A1036 -1.330 -7.400 -5.621 1.00 0.00 C ATOM 1971 CD2 LEU A1036 -1.683 -5.106 -4.718 1.00 0.00 C ATOM 0 H LEU A1036 1.417 -5.942 -2.769 1.00 0.00 H new ATOM 0 HA LEU A1036 -0.010 -8.227 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -1.793 -7.563 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -1.050 -6.095 -2.483 1.00 0.00 H new ATOM 0 HG LEU A1036 0.190 -6.133 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -1.277 -6.973 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -0.696 -8.285 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -2.360 -7.678 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -1.629 -4.726 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -2.720 -5.329 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -1.298 -4.353 -4.030 1.00 0.00 H new ATOM 1983 N ASP A1037 1.509 -8.399 -4.683 1.00 0.00 N ATOM 1984 CA ASP A1037 2.103 -9.275 -5.694 1.00 0.00 C ATOM 1985 C ASP A1037 2.916 -10.366 -5.016 1.00 0.00 C ATOM 1986 O ASP A1037 2.921 -11.523 -5.423 1.00 0.00 O ATOM 1987 CB ASP A1037 3.019 -8.432 -6.589 1.00 0.00 C ATOM 1988 CG ASP A1037 3.694 -9.219 -7.692 1.00 0.00 C ATOM 1989 OD1 ASP A1037 4.776 -9.789 -7.442 1.00 0.00 O ATOM 1990 OD2 ASP A1037 3.169 -9.231 -8.827 1.00 0.00 O ATOM 0 H ASP A1037 1.757 -7.417 -4.804 1.00 0.00 H new ATOM 0 HA ASP A1037 1.319 -9.740 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A1037 2.434 -7.628 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A1037 3.784 -7.964 -5.970 1.00 0.00 H new ATOM 1995 N VAL A1038 3.611 -9.944 -3.972 1.00 0.00 N ATOM 1996 CA VAL A1038 4.377 -10.819 -3.105 1.00 0.00 C ATOM 1997 C VAL A1038 3.523 -11.945 -2.581 1.00 0.00 C ATOM 1998 O VAL A1038 3.941 -13.075 -2.672 1.00 0.00 O ATOM 1999 CB VAL A1038 5.024 -10.047 -1.924 1.00 0.00 C ATOM 2000 CG1 VAL A1038 5.378 -10.978 -0.773 1.00 0.00 C ATOM 2001 CG2 VAL A1038 6.272 -9.312 -2.383 1.00 0.00 C ATOM 0 H VAL A1038 3.658 -8.962 -3.700 1.00 0.00 H new ATOM 0 HA VAL A1038 5.181 -11.238 -3.711 1.00 0.00 H new ATOM 0 HB VAL A1038 4.288 -9.325 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A1038 5.829 -10.402 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A1038 4.474 -11.467 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A1038 6.085 -11.732 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A1038 6.710 -8.777 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A1038 6.994 -10.029 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A1038 6.008 -8.601 -3.166 1.00 0.00 H new ATOM 2011 N ILE A1039 2.339 -11.660 -2.067 1.00 0.00 N ATOM 2012 CA ILE A1039 1.480 -12.716 -1.546 1.00 0.00 C ATOM 2013 C ILE A1039 0.856 -13.516 -2.673 1.00 0.00 C ATOM 2014 O ILE A1039 0.692 -14.726 -2.546 1.00 0.00 O ATOM 2015 CB ILE A1039 0.401 -12.196 -0.568 1.00 0.00 C ATOM 2016 CG1 ILE A1039 1.025 -11.954 0.798 1.00 0.00 C ATOM 2017 CG2 ILE A1039 -0.772 -13.163 -0.446 1.00 0.00 C ATOM 2018 CD1 ILE A1039 1.826 -10.681 0.885 1.00 0.00 C ATOM 0 H ILE A1039 1.951 -10.719 -1.998 1.00 0.00 H new ATOM 0 HA ILE A1039 2.124 -13.377 -0.966 1.00 0.00 H new ATOM 0 HB ILE A1039 0.010 -11.260 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A1039 0.235 -11.927 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.671 -12.796 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.506 -12.758 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -1.235 -13.298 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -0.414 -14.125 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A1039 2.239 -10.579 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A1039 2.639 -10.712 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A1039 1.180 -9.830 0.670 1.00 0.00 H new ATOM 2030 N ASP A1040 0.557 -12.873 -3.779 1.00 0.00 N ATOM 2031 CA ASP A1040 0.071 -13.596 -4.942 1.00 0.00 C ATOM 2032 C ASP A1040 1.129 -14.578 -5.427 1.00 0.00 C ATOM 2033 O ASP A1040 0.860 -15.768 -5.612 1.00 0.00 O ATOM 2034 CB ASP A1040 -0.304 -12.634 -6.052 1.00 0.00 C ATOM 2035 CG ASP A1040 -1.680 -12.942 -6.622 1.00 0.00 C ATOM 2036 OD1 ASP A1040 -1.873 -14.068 -7.133 1.00 0.00 O ATOM 2037 OD2 ASP A1040 -2.560 -12.060 -6.587 1.00 0.00 O ATOM 0 H ASP A1040 0.639 -11.864 -3.902 1.00 0.00 H new ATOM 0 HA ASP A1040 -0.822 -14.152 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -0.289 -11.613 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A1040 0.440 -12.688 -6.847 1.00 0.00 H new ATOM 2042 N GLN A1041 2.345 -14.101 -5.595 1.00 0.00 N ATOM 2043 CA GLN A1041 3.443 -14.991 -5.895 1.00 0.00 C ATOM 2044 C GLN A1041 3.663 -15.942 -4.728 1.00 0.00 C ATOM 2045 O GLN A1041 3.854 -17.123 -4.926 1.00 0.00 O ATOM 2046 CB GLN A1041 4.721 -14.223 -6.169 1.00 0.00 C ATOM 2047 CG GLN A1041 4.783 -13.591 -7.540 1.00 0.00 C ATOM 2048 CD GLN A1041 6.176 -13.110 -7.886 1.00 0.00 C ATOM 2049 OE1 GLN A1041 6.985 -13.862 -8.433 1.00 0.00 O ATOM 2050 NE2 GLN A1041 6.471 -11.860 -7.575 1.00 0.00 N ATOM 0 H GLN A1041 2.595 -13.114 -5.530 1.00 0.00 H new ATOM 0 HA GLN A1041 3.186 -15.553 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A1041 4.831 -13.442 -5.416 1.00 0.00 H new ATOM 0 HB3 GLN A1041 5.569 -14.898 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A1041 4.454 -14.314 -8.287 1.00 0.00 H new ATOM 0 HG3 GLN A1041 4.090 -12.751 -7.583 1.00 0.00 H new ATOM 0 HE21 GLN A1041 5.774 -11.269 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A1041 7.396 -11.486 -7.787 1.00 0.00 H new ATOM 2059 N ALA A1042 3.561 -15.406 -3.515 1.00 0.00 N ATOM 2060 CA ALA A1042 3.827 -16.143 -2.278 1.00 0.00 C ATOM 2061 C ALA A1042 3.040 -17.410 -2.198 1.00 0.00 C ATOM 2062 O ALA A1042 3.591 -18.472 -1.968 1.00 0.00 O ATOM 2063 CB ALA A1042 3.420 -15.310 -1.085 1.00 0.00 C ATOM 0 H ALA A1042 3.288 -14.436 -3.359 1.00 0.00 H new ATOM 0 HA ALA A1042 4.894 -16.368 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A1042 3.621 -15.865 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A1042 3.989 -14.381 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A1042 2.356 -15.083 -1.146 1.00 0.00 H new ATOM 2069 N ARG A1043 1.746 -17.288 -2.377 1.00 0.00 N ATOM 2070 CA ARG A1043 0.861 -18.410 -2.217 1.00 0.00 C ATOM 2071 C ARG A1043 1.205 -19.489 -3.221 1.00 0.00 C ATOM 2072 O ARG A1043 1.302 -20.656 -2.867 1.00 0.00 O ATOM 2073 CB ARG A1043 -0.587 -17.956 -2.373 1.00 0.00 C ATOM 2074 CG ARG A1043 -0.788 -17.029 -3.556 1.00 0.00 C ATOM 2075 CD ARG A1043 -1.228 -17.768 -4.811 1.00 0.00 C ATOM 2076 NE ARG A1043 -2.546 -18.376 -4.641 1.00 0.00 N ATOM 2077 CZ ARG A1043 -3.025 -19.357 -5.403 1.00 0.00 C ATOM 2078 NH1 ARG A1043 -2.308 -19.833 -6.418 1.00 0.00 N ATOM 2079 NH2 ARG A1043 -4.225 -19.863 -5.154 1.00 0.00 N ATOM 0 H ARG A1043 1.284 -16.416 -2.635 1.00 0.00 H new ATOM 0 HA ARG A1043 0.982 -18.826 -1.217 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -1.227 -18.831 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -0.904 -17.449 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -1.535 -16.277 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A1043 0.142 -16.498 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -1.251 -17.076 -5.653 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -0.499 -18.541 -5.054 1.00 0.00 H new ATOM 0 HE ARG A1043 -3.138 -18.025 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.385 -19.446 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -2.681 -20.585 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.781 -19.501 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -4.593 -20.615 -5.737 1.00 0.00 H new ATOM 2093 N LEU A1044 1.444 -19.088 -4.466 1.00 0.00 N ATOM 2094 CA LEU A1044 1.682 -20.057 -5.511 1.00 0.00 C ATOM 2095 C LEU A1044 3.134 -20.559 -5.452 1.00 0.00 C ATOM 2096 O LEU A1044 3.438 -21.691 -5.825 1.00 0.00 O ATOM 2097 CB LEU A1044 1.350 -19.461 -6.885 1.00 0.00 C ATOM 2098 CG LEU A1044 0.980 -20.479 -7.974 1.00 0.00 C ATOM 2099 CD1 LEU A1044 0.148 -19.810 -9.057 1.00 0.00 C ATOM 2100 CD2 LEU A1044 2.222 -21.110 -8.586 1.00 0.00 C ATOM 0 H LEU A1044 1.476 -18.113 -4.765 1.00 0.00 H new ATOM 0 HA LEU A1044 1.025 -20.912 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A1044 0.522 -18.762 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A1044 2.208 -18.883 -7.228 1.00 0.00 H new ATOM 0 HG LEU A1044 0.393 -21.270 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -0.108 -20.542 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -0.766 -19.409 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A1044 0.721 -18.999 -9.507 1.00 0.00 H new ATOM 0 HD21 LEU A1044 1.926 -21.826 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU A1044 2.842 -20.333 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A1044 2.789 -21.624 -7.810 1.00 0.00 H new