USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 166 LYS NZ :NH3+ -125:sc= -0.0186 (180deg=-0.722) USER MOD Set 1.2: A 170 ASN : amide:sc= -0.338 X(o=-0.36,f=-0.092) USER MOD Set 2.1: A 165 SER OG : rot 85:sc= -0.149 USER MOD Set 2.2: A 169 GLN :FLIP amide:sc= 0.0316 F(o=-2.1,f=-0.12) USER MOD Set 3.1: A 127 GLN :FLIP amide:sc= -0.802 F(o=-2.6,f=-1.8) USER MOD Set 3.2: A 163 HIS :FLIP no HE2:sc= -0.612 F(o=-6,f=-1.8) USER MOD Set 3.3: A 167 MET CE :methyl -115:sc= -0.36 (180deg=0) USER MOD Set 4.1: A 88 MET CE :methyl -136:sc= -5.83! (180deg=-7.99!) USER MOD Set 4.2: A 130 CYS SG : rot 61:sc= -3.72! USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -171:sc= -0.494 (180deg=-0.588) USER MOD Single : A 34 MET CE :methyl 166:sc= -1.82 (180deg=-3.14!) USER MOD Single : A 36 THR OG1 : rot 150:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.65 K(o=-1.6,f=-3.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.24 K(o=-1.2,f=-2!) USER MOD Single : A 45 MET CE :methyl -153:sc= -5.03! (180deg=-6.69!) USER MOD Single : A 46 THR OG1 : rot -43:sc= 0.463 USER MOD Single : A 47 SER OG : rot 73:sc= 0.147 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.555 X(o=-0.55,f=-0.9) USER MOD Single : A 58 MET CE :methyl -104:sc= -2.96 (180deg=-8.01!) USER MOD Single : A 59 ASN :FLIP amide:sc= -2.23 F(o=-4!,f=-2.2) USER MOD Single : A 64 THR OG1 : rot 75:sc= 0.339 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -4.63! C(o=-4.6!,f=-11!) USER MOD Single : A 80 CYS SG : rot 165:sc= 0.916 USER MOD Single : A 86 SER OG : rot 98:sc= 0.141 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -3.38! K(o=-3.4!,f=-4.6) USER MOD Single : A 96 THR OG1 : rot -81:sc= 1.21 USER MOD Single : A 101 MET CE :methyl 139:sc= -2.04 (180deg=-5.27!) USER MOD Single : A 103 THR OG1 : rot 110:sc= -1.01 USER MOD Single : A 110 CYS SG : rot -150:sc= -2.1! USER MOD Single : A 111 HIS : no HD1:sc= -2.81 X(o=-2.8,f=-2.9!) USER MOD Single : A 115 CYS SG : rot 90:sc= -0.786 USER MOD Single : A 118 ASN : amide:sc= -0.548 X(o=-0.55,f=-0.1) USER MOD Single : A 121 ASN :FLIP amide:sc= 0.073 F(o=-0.88,f=0.073) USER MOD Single : A 123 SER OG : rot 118:sc= 1.2 USER MOD Single : A 168 GLN : amide:sc= 0.0477 X(o=0.048,f=0) USER MOD Single : A 172 TYR OH : rot 30:sc= -1.13 USER MOD Single : A 174 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.530 0.671 14.509 1.00 0.00 N ATOM 179 CA VAL A 15 6.970 1.072 13.224 1.00 0.00 C ATOM 180 C VAL A 15 8.063 1.227 12.173 1.00 0.00 C ATOM 181 O VAL A 15 9.116 1.806 12.439 1.00 0.00 O ATOM 182 CB VAL A 15 6.193 2.397 13.340 1.00 0.00 C ATOM 183 CG1 VAL A 15 7.143 3.550 13.630 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.396 2.659 12.072 1.00 0.00 C ATOM 0 HA VAL A 15 6.284 0.283 12.917 1.00 0.00 H new ATOM 0 HB VAL A 15 5.493 2.316 14.172 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.576 4.478 13.709 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.666 3.364 14.568 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.869 3.636 12.821 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.853 3.599 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.075 2.720 11.222 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.688 1.846 11.913 1.00 0.00 H new ATOM 194 N GLN A 16 7.804 0.705 10.978 1.00 0.00 N ATOM 195 CA GLN A 16 8.767 0.785 9.885 1.00 0.00 C ATOM 196 C GLN A 16 8.423 1.931 8.939 1.00 0.00 C ATOM 197 O GLN A 16 7.254 2.174 8.640 1.00 0.00 O ATOM 198 CB GLN A 16 8.806 -0.535 9.114 1.00 0.00 C ATOM 199 CG GLN A 16 9.490 -1.662 9.870 1.00 0.00 C ATOM 200 CD GLN A 16 9.703 -2.895 9.013 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.781 -3.098 8.455 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.672 -3.726 8.905 1.00 0.00 N ATOM 0 H GLN A 16 6.937 0.223 10.742 1.00 0.00 H new ATOM 0 HA GLN A 16 9.751 0.976 10.314 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.786 -0.836 8.874 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.323 -0.378 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.453 -1.312 10.243 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.889 -1.928 10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.797 -3.518 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.756 -4.572 8.342 1.00 0.00 H new ATOM 211 N LYS A 17 9.449 2.634 8.471 1.00 0.00 N ATOM 212 CA LYS A 17 9.257 3.754 7.558 1.00 0.00 C ATOM 213 C LYS A 17 9.939 3.489 6.220 1.00 0.00 C ATOM 214 O LYS A 17 11.006 2.876 6.167 1.00 0.00 O ATOM 215 CB LYS A 17 9.806 5.042 8.176 1.00 0.00 C ATOM 216 CG LYS A 17 11.319 5.058 8.306 1.00 0.00 C ATOM 217 CD LYS A 17 11.770 4.493 9.642 1.00 0.00 C ATOM 218 CE LYS A 17 11.875 5.581 10.700 1.00 0.00 C ATOM 219 NZ LYS A 17 12.174 5.018 12.046 1.00 0.00 N ATOM 0 H LYS A 17 10.423 2.447 8.710 1.00 0.00 H new ATOM 0 HA LYS A 17 8.187 3.869 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.493 5.890 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.364 5.179 9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.761 4.477 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.683 6.080 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.065 3.730 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.737 4.004 9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.657 6.286 10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.940 6.141 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.238 5.791 12.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.415 4.364 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.078 4.505 12.015 1.00 0.00 H new ATOM 233 N PHE A 18 9.318 3.955 5.142 1.00 0.00 N ATOM 234 CA PHE A 18 9.867 3.768 3.803 1.00 0.00 C ATOM 235 C PHE A 18 9.822 5.071 3.011 1.00 0.00 C ATOM 236 O PHE A 18 8.925 5.893 3.198 1.00 0.00 O ATOM 237 CB PHE A 18 9.092 2.679 3.059 1.00 0.00 C ATOM 238 CG PHE A 18 9.056 1.365 3.787 1.00 0.00 C ATOM 239 CD1 PHE A 18 10.105 0.467 3.676 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.972 1.029 4.582 1.00 0.00 C ATOM 241 CE1 PHE A 18 10.075 -0.742 4.344 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.937 -0.179 5.254 1.00 0.00 C ATOM 243 CZ PHE A 18 8.989 -1.066 5.134 1.00 0.00 C ATOM 0 H PHE A 18 8.435 4.465 5.169 1.00 0.00 H new ATOM 0 HA PHE A 18 10.908 3.460 3.903 1.00 0.00 H new ATOM 0 HB2 PHE A 18 8.071 3.021 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.543 2.529 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.957 0.715 3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.146 1.718 4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.900 -1.433 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.088 -0.429 5.872 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.963 -2.011 5.657 1.00 0.00 H new ATOM 253 N ARG A 19 10.797 5.252 2.126 1.00 0.00 N ATOM 254 CA ARG A 19 10.871 6.456 1.306 1.00 0.00 C ATOM 255 C ARG A 19 10.082 6.280 0.011 1.00 0.00 C ATOM 256 O ARG A 19 10.476 5.516 -0.869 1.00 0.00 O ATOM 257 CB ARG A 19 12.329 6.792 0.986 1.00 0.00 C ATOM 258 CG ARG A 19 12.487 7.912 -0.029 1.00 0.00 C ATOM 259 CD ARG A 19 12.252 9.275 0.605 1.00 0.00 C ATOM 260 NE ARG A 19 12.916 10.344 -0.136 1.00 0.00 N ATOM 261 CZ ARG A 19 14.225 10.567 -0.090 1.00 0.00 C ATOM 262 NH1 ARG A 19 15.006 9.799 0.656 1.00 0.00 N ATOM 263 NH2 ARG A 19 14.755 11.560 -0.793 1.00 0.00 N ATOM 0 H ARG A 19 11.546 4.581 1.958 1.00 0.00 H new ATOM 0 HA ARG A 19 10.432 7.278 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.839 7.074 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.825 5.898 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.488 7.877 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.783 7.764 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.181 9.475 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.617 9.265 1.632 1.00 0.00 H new ATOM 0 HE ARG A 19 12.344 10.953 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.603 9.034 1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.011 9.973 0.689 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.157 12.153 -1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.760 11.731 -0.757 1.00 0.00 H new ATOM 277 N VAL A 20 8.966 6.994 -0.097 1.00 0.00 N ATOM 278 CA VAL A 20 8.122 6.918 -1.283 1.00 0.00 C ATOM 279 C VAL A 20 7.556 8.287 -1.643 1.00 0.00 C ATOM 280 O VAL A 20 7.890 9.292 -1.016 1.00 0.00 O ATOM 281 CB VAL A 20 6.958 5.930 -1.082 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.486 4.545 -0.740 1.00 0.00 C ATOM 283 CG2 VAL A 20 6.015 6.432 0.000 1.00 0.00 C ATOM 0 H VAL A 20 8.626 7.632 0.623 1.00 0.00 H new ATOM 0 HA VAL A 20 8.753 6.563 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 20 6.399 5.859 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.649 3.861 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.118 4.186 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.070 4.595 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.198 5.722 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.559 6.533 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.610 7.401 -0.291 1.00 0.00 H new ATOM 293 N GLN A 21 6.697 8.318 -2.657 1.00 0.00 N ATOM 294 CA GLN A 21 6.084 9.564 -3.100 1.00 0.00 C ATOM 295 C GLN A 21 4.563 9.480 -3.025 1.00 0.00 C ATOM 296 O GLN A 21 3.993 8.390 -2.982 1.00 0.00 O ATOM 297 CB GLN A 21 6.518 9.890 -4.530 1.00 0.00 C ATOM 298 CG GLN A 21 7.965 10.342 -4.639 1.00 0.00 C ATOM 299 CD GLN A 21 8.503 10.243 -6.053 1.00 0.00 C ATOM 300 OE1 GLN A 21 7.636 10.468 -7.033 1.00 0.00 O flip ATOM 301 NE2 GLN A 21 9.685 9.968 -6.262 1.00 0.00 N flip ATOM 0 H GLN A 21 6.410 7.495 -3.187 1.00 0.00 H new ATOM 0 HA GLN A 21 6.419 10.360 -2.435 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.374 9.008 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.871 10.672 -4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.046 11.373 -4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.582 9.735 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.316 9.803 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.033 9.906 -7.219 1.00 0.00 H new ATOM 310 N TYR A 22 3.912 10.638 -3.008 1.00 0.00 N ATOM 311 CA TYR A 22 2.457 10.695 -2.934 1.00 0.00 C ATOM 312 C TYR A 22 1.867 11.242 -4.231 1.00 0.00 C ATOM 313 O TYR A 22 2.122 12.386 -4.609 1.00 0.00 O ATOM 314 CB TYR A 22 2.018 11.564 -1.755 1.00 0.00 C ATOM 315 CG TYR A 22 0.518 11.696 -1.624 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.318 10.610 -1.855 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.065 12.907 -1.269 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.689 10.727 -1.738 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.435 13.032 -1.148 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.243 11.939 -1.384 1.00 0.00 C ATOM 321 OH TYR A 22 -3.609 12.059 -1.265 1.00 0.00 O ATOM 0 H TYR A 22 4.369 11.549 -3.044 1.00 0.00 H new ATOM 0 HA TYR A 22 2.086 9.681 -2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.419 11.141 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.453 12.557 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.112 9.658 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.564 13.765 -1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.324 9.873 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.871 13.980 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.836 12.977 -1.008 1.00 0.00 H new ATOM 331 N LEU A 23 1.076 10.417 -4.907 1.00 0.00 N ATOM 332 CA LEU A 23 0.447 10.817 -6.162 1.00 0.00 C ATOM 333 C LEU A 23 -0.830 11.610 -5.903 1.00 0.00 C ATOM 334 O LEU A 23 -1.076 12.635 -6.537 1.00 0.00 O ATOM 335 CB LEU A 23 0.133 9.585 -7.013 1.00 0.00 C ATOM 336 CG LEU A 23 1.339 8.813 -7.549 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.888 7.875 -6.485 1.00 0.00 C ATOM 338 CD2 LEU A 23 0.962 8.038 -8.803 1.00 0.00 C ATOM 0 H LEU A 23 0.854 9.467 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 23 1.145 11.456 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.474 8.903 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.477 9.899 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 23 2.118 9.529 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.746 7.334 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.197 8.453 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.115 7.164 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.833 7.495 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.166 7.332 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.617 8.732 -9.570 1.00 0.00 H new ATOM 350 N GLY A 24 -1.639 11.128 -4.964 1.00 0.00 N ATOM 351 CA GLY A 24 -2.880 11.806 -4.636 1.00 0.00 C ATOM 352 C GLY A 24 -3.974 10.842 -4.221 1.00 0.00 C ATOM 353 O GLY A 24 -3.776 9.628 -4.227 1.00 0.00 O ATOM 0 H GLY A 24 -1.457 10.281 -4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.700 12.516 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.215 12.382 -5.499 1.00 0.00 H new ATOM 357 N MET A 25 -5.132 11.385 -3.859 1.00 0.00 N ATOM 358 CA MET A 25 -6.262 10.564 -3.439 1.00 0.00 C ATOM 359 C MET A 25 -7.296 10.450 -4.555 1.00 0.00 C ATOM 360 O MET A 25 -7.572 11.421 -5.261 1.00 0.00 O ATOM 361 CB MET A 25 -6.910 11.154 -2.185 1.00 0.00 C ATOM 362 CG MET A 25 -7.807 10.175 -1.446 1.00 0.00 C ATOM 363 SD MET A 25 -9.003 10.998 -0.377 1.00 0.00 S ATOM 364 CE MET A 25 -10.302 11.378 -1.550 1.00 0.00 C ATOM 0 H MET A 25 -5.312 12.389 -3.848 1.00 0.00 H new ATOM 0 HA MET A 25 -5.889 9.566 -3.211 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.127 11.498 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.496 12.029 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.338 9.557 -2.170 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.191 9.505 -0.847 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.040 12.027 -1.078 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.874 11.884 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.784 10.455 -1.871 1.00 0.00 H new ATOM 374 N LEU A 26 -7.865 9.260 -4.709 1.00 0.00 N ATOM 375 CA LEU A 26 -8.868 9.019 -5.739 1.00 0.00 C ATOM 376 C LEU A 26 -9.881 7.975 -5.280 1.00 0.00 C ATOM 377 O LEU A 26 -9.543 6.822 -5.012 1.00 0.00 O ATOM 378 CB LEU A 26 -8.198 8.559 -7.035 1.00 0.00 C ATOM 379 CG LEU A 26 -8.944 8.884 -8.329 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.289 8.176 -8.362 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.127 10.388 -8.476 1.00 0.00 C ATOM 0 H LEU A 26 -7.649 8.446 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.395 9.955 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.207 9.010 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.055 7.480 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.348 8.527 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.806 8.419 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.135 7.099 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.893 8.502 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.660 10.601 -9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.701 10.769 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.151 10.873 -8.499 1.00 0.00 H new ATOM 393 N PRO A 27 -11.155 8.385 -5.188 1.00 0.00 N ATOM 394 CA PRO A 27 -12.243 7.500 -4.764 1.00 0.00 C ATOM 395 C PRO A 27 -12.560 6.431 -5.805 1.00 0.00 C ATOM 396 O PRO A 27 -12.535 6.694 -7.007 1.00 0.00 O ATOM 397 CB PRO A 27 -13.430 8.452 -4.597 1.00 0.00 C ATOM 398 CG PRO A 27 -13.126 9.598 -5.500 1.00 0.00 C ATOM 399 CD PRO A 27 -11.630 9.746 -5.492 1.00 0.00 C ATOM 0 HA PRO A 27 -11.990 6.949 -3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.367 7.968 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.532 8.779 -3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.494 9.409 -6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.610 10.510 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.256 10.097 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.301 10.464 -4.741 1.00 0.00 H new ATOM 407 N VAL A 28 -12.860 5.225 -5.334 1.00 0.00 N ATOM 408 CA VAL A 28 -13.183 4.116 -6.224 1.00 0.00 C ATOM 409 C VAL A 28 -14.659 3.748 -6.130 1.00 0.00 C ATOM 410 O VAL A 28 -15.308 3.996 -5.113 1.00 0.00 O ATOM 411 CB VAL A 28 -12.333 2.872 -5.903 1.00 0.00 C ATOM 412 CG1 VAL A 28 -10.857 3.161 -6.128 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.584 2.411 -4.476 1.00 0.00 C ATOM 0 H VAL A 28 -12.886 4.991 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.958 4.448 -7.238 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.627 2.068 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.272 2.271 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.695 3.440 -7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.544 3.980 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.976 1.531 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.319 3.210 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.638 2.161 -4.354 1.00 0.00 H new ATOM 423 N ASP A 29 -15.185 3.154 -7.195 1.00 0.00 N ATOM 424 CA ASP A 29 -16.586 2.750 -7.232 1.00 0.00 C ATOM 425 C ASP A 29 -16.800 1.462 -6.444 1.00 0.00 C ATOM 426 O ASP A 29 -17.759 1.342 -5.681 1.00 0.00 O ATOM 427 CB ASP A 29 -17.046 2.560 -8.679 1.00 0.00 C ATOM 428 CG ASP A 29 -17.222 3.877 -9.408 1.00 0.00 C ATOM 429 OD1 ASP A 29 -16.205 4.446 -9.860 1.00 0.00 O ATOM 430 OD2 ASP A 29 -18.375 4.339 -9.528 1.00 0.00 O ATOM 0 H ASP A 29 -14.662 2.941 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.179 3.540 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.318 1.948 -9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.989 2.014 -8.689 1.00 0.00 H new ATOM 435 N ARG A 30 -15.903 0.501 -6.635 1.00 0.00 N ATOM 436 CA ARG A 30 -15.995 -0.780 -5.943 1.00 0.00 C ATOM 437 C ARG A 30 -14.796 -0.988 -5.023 1.00 0.00 C ATOM 438 O ARG A 30 -13.682 -0.546 -5.304 1.00 0.00 O ATOM 439 CB ARG A 30 -16.081 -1.924 -6.954 1.00 0.00 C ATOM 440 CG ARG A 30 -17.203 -1.760 -7.967 1.00 0.00 C ATOM 441 CD ARG A 30 -16.744 -0.969 -9.182 1.00 0.00 C ATOM 442 NE ARG A 30 -17.868 -0.531 -10.006 1.00 0.00 N ATOM 443 CZ ARG A 30 -18.481 -1.313 -10.888 1.00 0.00 C ATOM 444 NH1 ARG A 30 -18.081 -2.565 -11.059 1.00 0.00 N ATOM 445 NH2 ARG A 30 -19.496 -0.842 -11.601 1.00 0.00 N ATOM 0 H ARG A 30 -15.104 0.584 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.900 -0.773 -5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.132 -2.000 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.222 -2.862 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -17.556 -2.742 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -18.047 -1.253 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -16.174 -0.100 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.072 -1.583 -9.782 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.200 0.427 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.301 -2.930 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.553 -3.163 -11.737 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -19.806 0.121 -11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -19.966 -1.443 -12.278 1.00 0.00 H new ATOM 459 N PRO A 31 -15.028 -1.678 -3.896 1.00 0.00 N ATOM 460 CA PRO A 31 -13.979 -1.961 -2.912 1.00 0.00 C ATOM 461 C PRO A 31 -12.952 -2.962 -3.430 1.00 0.00 C ATOM 462 O PRO A 31 -11.892 -3.145 -2.832 1.00 0.00 O ATOM 463 CB PRO A 31 -14.752 -2.551 -1.730 1.00 0.00 C ATOM 464 CG PRO A 31 -15.988 -3.124 -2.333 1.00 0.00 C ATOM 465 CD PRO A 31 -16.331 -2.235 -3.497 1.00 0.00 C ATOM 0 HA PRO A 31 -13.404 -1.069 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.169 -3.317 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.990 -1.786 -0.991 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.823 -4.150 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.801 -3.148 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.794 -2.796 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.033 -1.451 -3.211 1.00 0.00 H new ATOM 473 N VAL A 32 -13.274 -3.609 -4.546 1.00 0.00 N ATOM 474 CA VAL A 32 -12.379 -4.591 -5.146 1.00 0.00 C ATOM 475 C VAL A 32 -12.408 -4.504 -6.668 1.00 0.00 C ATOM 476 O VAL A 32 -13.287 -3.868 -7.247 1.00 0.00 O ATOM 477 CB VAL A 32 -12.749 -6.023 -4.718 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.492 -6.219 -3.231 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.200 -6.323 -5.061 1.00 0.00 C ATOM 0 H VAL A 32 -14.148 -3.470 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.374 -4.362 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.118 -6.722 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.759 -7.237 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.437 -6.048 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.096 -5.513 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.444 -7.339 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.850 -5.619 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.347 -6.226 -6.137 1.00 0.00 H new ATOM 489 N GLY A 33 -11.439 -5.149 -7.311 1.00 0.00 N ATOM 490 CA GLY A 33 -11.372 -5.132 -8.760 1.00 0.00 C ATOM 491 C GLY A 33 -10.236 -4.272 -9.278 1.00 0.00 C ATOM 492 O GLY A 33 -10.331 -3.045 -9.283 1.00 0.00 O ATOM 0 H GLY A 33 -10.700 -5.683 -6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.249 -6.151 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.316 -4.761 -9.160 1.00 0.00 H new ATOM 496 N MET A 34 -9.159 -4.917 -9.714 1.00 0.00 N ATOM 497 CA MET A 34 -8.000 -4.202 -10.236 1.00 0.00 C ATOM 498 C MET A 34 -8.422 -3.170 -11.278 1.00 0.00 C ATOM 499 O MET A 34 -7.906 -2.052 -11.302 1.00 0.00 O ATOM 500 CB MET A 34 -7.002 -5.185 -10.850 1.00 0.00 C ATOM 501 CG MET A 34 -5.969 -5.700 -9.861 1.00 0.00 C ATOM 502 SD MET A 34 -4.509 -4.647 -9.768 1.00 0.00 S ATOM 503 CE MET A 34 -4.853 -3.722 -8.274 1.00 0.00 C ATOM 0 H MET A 34 -9.065 -5.933 -9.716 1.00 0.00 H new ATOM 0 HA MET A 34 -7.522 -3.681 -9.407 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.548 -6.032 -11.266 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.488 -4.698 -11.679 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.423 -5.773 -8.873 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.668 -6.707 -10.148 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.947 -3.214 -7.944 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.631 -2.985 -8.474 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.191 -4.404 -7.494 1.00 0.00 H new ATOM 513 N ASP A 35 -9.361 -3.552 -12.135 1.00 0.00 N ATOM 514 CA ASP A 35 -9.852 -2.659 -13.179 1.00 0.00 C ATOM 515 C ASP A 35 -10.339 -1.342 -12.582 1.00 0.00 C ATOM 516 O ASP A 35 -10.334 -0.306 -13.248 1.00 0.00 O ATOM 517 CB ASP A 35 -10.984 -3.328 -13.961 1.00 0.00 C ATOM 518 CG ASP A 35 -10.469 -4.233 -15.063 1.00 0.00 C ATOM 519 OD1 ASP A 35 -9.464 -3.869 -15.710 1.00 0.00 O ATOM 520 OD2 ASP A 35 -11.071 -5.305 -15.279 1.00 0.00 O ATOM 0 H ASP A 35 -9.798 -4.474 -12.128 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.027 -2.446 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.601 -3.909 -13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.625 -2.561 -14.395 1.00 0.00 H new ATOM 525 N THR A 36 -10.761 -1.389 -11.322 1.00 0.00 N ATOM 526 CA THR A 36 -11.253 -0.201 -10.636 1.00 0.00 C ATOM 527 C THR A 36 -10.126 0.518 -9.904 1.00 0.00 C ATOM 528 O THR A 36 -9.999 1.740 -9.985 1.00 0.00 O ATOM 529 CB THR A 36 -12.363 -0.554 -9.628 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.444 -1.210 -10.299 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.877 0.696 -8.930 1.00 0.00 C ATOM 0 H THR A 36 -10.772 -2.238 -10.756 1.00 0.00 H new ATOM 0 HA THR A 36 -11.664 0.458 -11.401 1.00 0.00 H new ATOM 0 HB THR A 36 -11.942 -1.223 -8.878 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.883 -1.832 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.660 0.422 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.058 1.177 -8.396 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.282 1.386 -9.671 1.00 0.00 H new ATOM 539 N LEU A 37 -9.309 -0.248 -9.189 1.00 0.00 N ATOM 540 CA LEU A 37 -8.190 0.316 -8.442 1.00 0.00 C ATOM 541 C LEU A 37 -7.257 1.094 -9.364 1.00 0.00 C ATOM 542 O LEU A 37 -6.835 2.204 -9.043 1.00 0.00 O ATOM 543 CB LEU A 37 -7.415 -0.795 -7.731 1.00 0.00 C ATOM 544 CG LEU A 37 -6.348 -0.337 -6.735 1.00 0.00 C ATOM 545 CD1 LEU A 37 -6.191 -1.355 -5.616 1.00 0.00 C ATOM 546 CD2 LEU A 37 -5.021 -0.109 -7.442 1.00 0.00 C ATOM 0 H LEU A 37 -9.400 -1.261 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.591 1.004 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.128 -1.428 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.935 -1.417 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.669 0.608 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.428 -1.013 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.140 -1.468 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.893 -2.315 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.274 0.216 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.693 -1.038 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.143 0.658 -8.207 1.00 0.00 H new ATOM 558 N ASN A 38 -6.939 0.504 -10.511 1.00 0.00 N ATOM 559 CA ASN A 38 -6.057 1.142 -11.481 1.00 0.00 C ATOM 560 C ASN A 38 -6.704 2.395 -12.063 1.00 0.00 C ATOM 561 O ASN A 38 -6.082 3.455 -12.127 1.00 0.00 O ATOM 562 CB ASN A 38 -5.708 0.165 -12.606 1.00 0.00 C ATOM 563 CG ASN A 38 -4.460 -0.641 -12.305 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.435 -0.491 -12.970 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.541 -1.503 -11.297 1.00 0.00 N ATOM 0 H ASN A 38 -7.279 -0.416 -10.792 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.142 1.433 -10.965 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.546 -0.514 -12.767 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.564 0.719 -13.533 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.733 -2.073 -11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.411 -1.594 -10.773 1.00 0.00 H new ATOM 572 N SER A 39 -7.958 2.265 -12.485 1.00 0.00 N ATOM 573 CA SER A 39 -8.689 3.386 -13.065 1.00 0.00 C ATOM 574 C SER A 39 -8.479 4.655 -12.244 1.00 0.00 C ATOM 575 O SER A 39 -8.546 5.765 -12.769 1.00 0.00 O ATOM 576 CB SER A 39 -10.181 3.060 -13.148 1.00 0.00 C ATOM 577 OG SER A 39 -10.857 3.974 -13.995 1.00 0.00 O ATOM 0 H SER A 39 -8.489 1.395 -12.436 1.00 0.00 H new ATOM 0 HA SER A 39 -8.305 3.557 -14.071 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.314 2.045 -13.523 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.619 3.091 -12.150 1.00 0.00 H new ATOM 0 HG SER A 39 -11.809 3.743 -14.032 1.00 0.00 H new ATOM 583 N ALA A 40 -8.225 4.480 -10.951 1.00 0.00 N ATOM 584 CA ALA A 40 -8.004 5.609 -10.057 1.00 0.00 C ATOM 585 C ALA A 40 -6.554 6.080 -10.116 1.00 0.00 C ATOM 586 O ALA A 40 -6.279 7.279 -10.057 1.00 0.00 O ATOM 587 CB ALA A 40 -8.382 5.236 -8.631 1.00 0.00 C ATOM 0 H ALA A 40 -8.167 3.567 -10.500 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.640 6.431 -10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.212 6.089 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.435 4.955 -8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.771 4.396 -8.300 1.00 0.00 H new ATOM 593 N ILE A 41 -5.633 5.130 -10.231 1.00 0.00 N ATOM 594 CA ILE A 41 -4.212 5.448 -10.298 1.00 0.00 C ATOM 595 C ILE A 41 -3.931 6.481 -11.384 1.00 0.00 C ATOM 596 O ILE A 41 -3.374 7.544 -11.114 1.00 0.00 O ATOM 597 CB ILE A 41 -3.365 4.191 -10.568 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.628 3.132 -9.495 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.887 4.548 -10.617 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.881 1.837 -9.729 1.00 0.00 C ATOM 0 H ILE A 41 -5.845 4.133 -10.280 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.935 5.860 -9.328 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.651 3.779 -11.536 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.346 3.534 -8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.697 2.924 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.302 3.649 -10.809 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.713 5.271 -11.414 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.585 4.981 -9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.115 1.133 -8.930 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.181 1.412 -10.687 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.809 2.032 -9.738 1.00 0.00 H new ATOM 612 N GLU A 42 -4.322 6.159 -12.614 1.00 0.00 N ATOM 613 CA GLU A 42 -4.112 7.060 -13.741 1.00 0.00 C ATOM 614 C GLU A 42 -4.680 8.445 -13.444 1.00 0.00 C ATOM 615 O GLU A 42 -3.988 9.453 -13.580 1.00 0.00 O ATOM 616 CB GLU A 42 -4.761 6.491 -15.005 1.00 0.00 C ATOM 617 CG GLU A 42 -3.856 5.550 -15.782 1.00 0.00 C ATOM 618 CD GLU A 42 -4.201 5.496 -17.258 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.404 5.546 -17.589 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.267 5.405 -18.082 1.00 0.00 O ATOM 0 H GLU A 42 -4.785 5.282 -12.854 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.038 7.154 -13.903 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.672 5.960 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.057 7.315 -15.654 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.820 5.870 -15.666 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.930 4.548 -15.358 1.00 0.00 H new ATOM 627 N ASN A 43 -5.945 8.484 -13.038 1.00 0.00 N ATOM 628 CA ASN A 43 -6.607 9.745 -12.722 1.00 0.00 C ATOM 629 C ASN A 43 -5.643 10.710 -12.039 1.00 0.00 C ATOM 630 O ASN A 43 -5.633 11.906 -12.333 1.00 0.00 O ATOM 631 CB ASN A 43 -7.820 9.497 -11.823 1.00 0.00 C ATOM 632 CG ASN A 43 -9.032 9.028 -12.605 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.038 9.050 -13.836 1.00 0.00 O ATOM 634 ND2 ASN A 43 -10.067 8.601 -11.891 1.00 0.00 N ATOM 0 H ASN A 43 -6.532 7.658 -12.920 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.942 10.195 -13.657 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.565 8.750 -11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.068 10.415 -11.290 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.911 8.274 -12.361 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.018 8.600 -10.872 1.00 0.00 H new ATOM 641 N LEU A 44 -4.833 10.182 -11.128 1.00 0.00 N ATOM 642 CA LEU A 44 -3.864 10.996 -10.402 1.00 0.00 C ATOM 643 C LEU A 44 -2.632 11.269 -11.260 1.00 0.00 C ATOM 644 O LEU A 44 -2.251 12.420 -11.469 1.00 0.00 O ATOM 645 CB LEU A 44 -3.452 10.299 -9.105 1.00 0.00 C ATOM 646 CG LEU A 44 -4.589 9.930 -8.151 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.091 8.991 -7.064 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.199 11.183 -7.539 1.00 0.00 C ATOM 0 H LEU A 44 -4.828 9.194 -10.874 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.335 11.949 -10.160 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.910 9.389 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.754 10.947 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.362 9.414 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.914 8.740 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.703 8.080 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.298 9.479 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.006 10.902 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.434 11.726 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.594 11.819 -8.331 1.00 0.00 H new ATOM 660 N MET A 45 -2.014 10.201 -11.755 1.00 0.00 N ATOM 661 CA MET A 45 -0.827 10.326 -12.592 1.00 0.00 C ATOM 662 C MET A 45 -1.013 11.419 -13.640 1.00 0.00 C ATOM 663 O MET A 45 -0.099 12.200 -13.907 1.00 0.00 O ATOM 664 CB MET A 45 -0.519 8.993 -13.278 1.00 0.00 C ATOM 665 CG MET A 45 -0.362 7.833 -12.309 1.00 0.00 C ATOM 666 SD MET A 45 0.755 6.559 -12.926 1.00 0.00 S ATOM 667 CE MET A 45 1.874 6.389 -11.538 1.00 0.00 C ATOM 0 H MET A 45 -2.316 9.241 -11.591 1.00 0.00 H new ATOM 0 HA MET A 45 0.012 10.600 -11.952 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.319 8.762 -13.981 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.397 9.096 -13.860 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.012 8.208 -11.356 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.340 7.391 -12.116 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.844 6.042 -11.893 1.00 0.00 H new ATOM 0 HE2 MET A 45 1.992 7.354 -11.045 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.468 5.667 -10.830 1.00 0.00 H new ATOM 677 N THR A 46 -2.203 11.470 -14.231 1.00 0.00 N ATOM 678 CA THR A 46 -2.507 12.467 -15.250 1.00 0.00 C ATOM 679 C THR A 46 -2.390 13.879 -14.690 1.00 0.00 C ATOM 680 O THR A 46 -1.867 14.777 -15.350 1.00 0.00 O ATOM 681 CB THR A 46 -3.924 12.270 -15.822 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.898 12.436 -14.786 1.00 0.00 O ATOM 683 CG2 THR A 46 -4.069 10.889 -16.445 1.00 0.00 C ATOM 0 H THR A 46 -2.971 10.833 -14.021 1.00 0.00 H new ATOM 0 HA THR A 46 -1.778 12.335 -16.049 1.00 0.00 H new ATOM 0 HB THR A 46 -4.087 13.020 -16.596 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.594 11.978 -13.975 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.077 10.773 -16.842 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.346 10.776 -17.253 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.888 10.127 -15.687 1.00 0.00 H new ATOM 691 N SER A 47 -2.878 14.069 -13.468 1.00 0.00 N ATOM 692 CA SER A 47 -2.830 15.375 -12.820 1.00 0.00 C ATOM 693 C SER A 47 -1.388 15.824 -12.609 1.00 0.00 C ATOM 694 O SER A 47 -0.936 16.801 -13.206 1.00 0.00 O ATOM 695 CB SER A 47 -3.564 15.329 -11.479 1.00 0.00 C ATOM 696 OG SER A 47 -4.894 14.867 -11.641 1.00 0.00 O ATOM 0 H SER A 47 -3.311 13.335 -12.907 1.00 0.00 H new ATOM 0 HA SER A 47 -3.324 16.095 -13.472 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.030 14.674 -10.791 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.573 16.323 -11.031 1.00 0.00 H new ATOM 0 HG SER A 47 -4.886 13.904 -11.824 1.00 0.00 H new ATOM 702 N SER A 48 -0.669 15.102 -11.754 1.00 0.00 N ATOM 703 CA SER A 48 0.721 15.427 -11.460 1.00 0.00 C ATOM 704 C SER A 48 1.661 14.386 -12.061 1.00 0.00 C ATOM 705 O SER A 48 1.302 13.217 -12.203 1.00 0.00 O ATOM 706 CB SER A 48 0.938 15.513 -9.948 1.00 0.00 C ATOM 707 OG SER A 48 0.119 16.515 -9.371 1.00 0.00 O ATOM 0 H SER A 48 -1.027 14.289 -11.253 1.00 0.00 H new ATOM 0 HA SER A 48 0.944 16.395 -11.908 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.716 14.549 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.986 15.731 -9.740 1.00 0.00 H new ATOM 0 HG SER A 48 0.275 16.549 -8.404 1.00 0.00 H new ATOM 713 N SER A 49 2.867 14.821 -12.413 1.00 0.00 N ATOM 714 CA SER A 49 3.859 13.929 -13.003 1.00 0.00 C ATOM 715 C SER A 49 4.586 13.135 -11.922 1.00 0.00 C ATOM 716 O SER A 49 4.532 13.477 -10.741 1.00 0.00 O ATOM 717 CB SER A 49 4.868 14.729 -13.829 1.00 0.00 C ATOM 718 OG SER A 49 4.267 15.250 -15.002 1.00 0.00 O ATOM 0 H SER A 49 3.181 15.785 -12.300 1.00 0.00 H new ATOM 0 HA SER A 49 3.339 13.229 -13.657 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.269 15.546 -13.228 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.709 14.090 -14.100 1.00 0.00 H new ATOM 0 HG SER A 49 4.932 15.759 -15.512 1.00 0.00 H new ATOM 724 N LYS A 50 5.266 12.071 -12.336 1.00 0.00 N ATOM 725 CA LYS A 50 6.006 11.226 -11.406 1.00 0.00 C ATOM 726 C LYS A 50 6.869 12.070 -10.473 1.00 0.00 C ATOM 727 O LYS A 50 6.710 12.021 -9.254 1.00 0.00 O ATOM 728 CB LYS A 50 6.885 10.235 -12.173 1.00 0.00 C ATOM 729 CG LYS A 50 7.657 9.285 -11.274 1.00 0.00 C ATOM 730 CD LYS A 50 9.020 9.848 -10.908 1.00 0.00 C ATOM 731 CE LYS A 50 9.824 8.862 -10.073 1.00 0.00 C ATOM 732 NZ LYS A 50 10.393 7.766 -10.905 1.00 0.00 N ATOM 0 H LYS A 50 5.320 11.773 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 50 5.285 10.673 -10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.258 9.653 -12.849 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.590 10.791 -12.791 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.085 9.096 -10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.782 8.326 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.571 10.091 -11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.894 10.778 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.632 9.390 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.186 8.436 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.933 7.115 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.621 7.246 -11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.022 8.170 -11.628 1.00 0.00 H new ATOM 746 N GLU A 51 7.780 12.843 -11.055 1.00 0.00 N ATOM 747 CA GLU A 51 8.667 13.698 -10.274 1.00 0.00 C ATOM 748 C GLU A 51 7.888 14.834 -9.617 1.00 0.00 C ATOM 749 O GLU A 51 8.321 15.399 -8.613 1.00 0.00 O ATOM 750 CB GLU A 51 9.773 14.270 -11.162 1.00 0.00 C ATOM 751 CG GLU A 51 10.526 13.213 -11.954 1.00 0.00 C ATOM 752 CD GLU A 51 11.905 13.677 -12.382 1.00 0.00 C ATOM 753 OE1 GLU A 51 11.999 14.748 -13.017 1.00 0.00 O ATOM 754 OE2 GLU A 51 12.888 12.969 -12.082 1.00 0.00 O ATOM 0 H GLU A 51 7.923 12.895 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 51 9.119 13.090 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.336 14.988 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.480 14.818 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.622 12.311 -11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.947 12.945 -12.837 1.00 0.00 H new ATOM 761 N ASP A 52 6.737 15.164 -10.193 1.00 0.00 N ATOM 762 CA ASP A 52 5.897 16.232 -9.664 1.00 0.00 C ATOM 763 C ASP A 52 5.348 15.862 -8.290 1.00 0.00 C ATOM 764 O ASP A 52 5.007 16.735 -7.492 1.00 0.00 O ATOM 765 CB ASP A 52 4.744 16.526 -10.626 1.00 0.00 C ATOM 766 CG ASP A 52 3.933 17.736 -10.205 1.00 0.00 C ATOM 767 OD1 ASP A 52 3.503 17.784 -9.033 1.00 0.00 O ATOM 768 OD2 ASP A 52 3.730 18.635 -11.047 1.00 0.00 O ATOM 0 H ASP A 52 6.365 14.708 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 52 6.511 17.127 -9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.143 16.690 -11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.090 15.656 -10.682 1.00 0.00 H new ATOM 773 N TRP A 53 5.265 14.565 -8.021 1.00 0.00 N ATOM 774 CA TRP A 53 4.756 14.080 -6.744 1.00 0.00 C ATOM 775 C TRP A 53 5.754 14.349 -5.623 1.00 0.00 C ATOM 776 O TRP A 53 6.948 14.074 -5.743 1.00 0.00 O ATOM 777 CB TRP A 53 4.455 12.582 -6.826 1.00 0.00 C ATOM 778 CG TRP A 53 3.760 12.185 -8.093 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.835 12.914 -8.784 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.935 10.963 -8.820 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.423 12.220 -9.896 1.00 0.00 N ATOM 782 CE2 TRP A 53 3.083 11.020 -9.941 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.728 9.828 -8.633 1.00 0.00 C ATOM 784 CZ2 TRP A 53 3.004 9.985 -10.868 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.648 8.801 -9.554 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.792 8.885 -10.661 1.00 0.00 C ATOM 0 H TRP A 53 5.544 13.830 -8.670 1.00 0.00 H new ATOM 0 HA TRP A 53 3.834 14.617 -6.522 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.389 12.026 -6.742 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.836 12.296 -5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.479 13.893 -8.498 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.737 12.545 -10.577 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.391 9.755 -7.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.344 10.047 -11.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.255 7.918 -9.419 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.754 8.066 -11.364 1.00 0.00 H new ATOM 797 N PRO A 54 5.256 14.899 -4.505 1.00 0.00 N ATOM 798 CA PRO A 54 6.088 15.217 -3.341 1.00 0.00 C ATOM 799 C PRO A 54 6.582 13.965 -2.622 1.00 0.00 C ATOM 800 O PRO A 54 5.816 13.032 -2.384 1.00 0.00 O ATOM 801 CB PRO A 54 5.145 16.015 -2.438 1.00 0.00 C ATOM 802 CG PRO A 54 3.779 15.561 -2.822 1.00 0.00 C ATOM 803 CD PRO A 54 3.843 15.253 -4.292 1.00 0.00 C ATOM 0 HA PRO A 54 6.991 15.759 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.346 15.819 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.263 17.088 -2.591 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.486 14.680 -2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.039 16.334 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.178 14.432 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.548 16.111 -4.896 1.00 0.00 H new ATOM 811 N SER A 55 7.866 13.953 -2.279 1.00 0.00 N ATOM 812 CA SER A 55 8.462 12.815 -1.590 1.00 0.00 C ATOM 813 C SER A 55 7.993 12.750 -0.140 1.00 0.00 C ATOM 814 O SER A 55 8.149 13.707 0.619 1.00 0.00 O ATOM 815 CB SER A 55 9.989 12.904 -1.641 1.00 0.00 C ATOM 816 OG SER A 55 10.452 12.970 -2.978 1.00 0.00 O ATOM 0 H SER A 55 8.513 14.719 -2.467 1.00 0.00 H new ATOM 0 HA SER A 55 8.141 11.906 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.323 13.785 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.424 12.036 -1.145 1.00 0.00 H new ATOM 0 HG SER A 55 11.430 13.028 -2.983 1.00 0.00 H new ATOM 822 N VAL A 56 7.416 11.614 0.239 1.00 0.00 N ATOM 823 CA VAL A 56 6.924 11.423 1.598 1.00 0.00 C ATOM 824 C VAL A 56 7.469 10.134 2.203 1.00 0.00 C ATOM 825 O VAL A 56 8.252 9.424 1.574 1.00 0.00 O ATOM 826 CB VAL A 56 5.385 11.384 1.637 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.804 12.686 1.107 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.861 10.196 0.845 1.00 0.00 C ATOM 0 H VAL A 56 7.278 10.812 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 56 7.274 12.273 2.184 1.00 0.00 H new ATOM 0 HB VAL A 56 5.069 11.268 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.716 12.640 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.152 13.516 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.128 12.836 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.772 10.185 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.186 10.278 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.249 9.273 1.275 1.00 0.00 H new ATOM 838 N ASN A 57 7.049 9.839 3.429 1.00 0.00 N ATOM 839 CA ASN A 57 7.496 8.635 4.120 1.00 0.00 C ATOM 840 C ASN A 57 6.306 7.785 4.557 1.00 0.00 C ATOM 841 O ASN A 57 5.390 8.274 5.218 1.00 0.00 O ATOM 842 CB ASN A 57 8.345 9.006 5.338 1.00 0.00 C ATOM 843 CG ASN A 57 9.274 10.172 5.060 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.864 10.268 3.984 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.409 11.065 6.034 1.00 0.00 N ATOM 0 H ASN A 57 6.400 10.417 3.964 1.00 0.00 H new ATOM 0 HA ASN A 57 8.102 8.052 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.689 9.258 6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.933 8.141 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.021 11.871 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.900 10.945 6.910 1.00 0.00 H new ATOM 852 N MET A 58 6.328 6.510 4.182 1.00 0.00 N ATOM 853 CA MET A 58 5.252 5.592 4.537 1.00 0.00 C ATOM 854 C MET A 58 5.584 4.833 5.818 1.00 0.00 C ATOM 855 O MET A 58 6.541 4.062 5.863 1.00 0.00 O ATOM 856 CB MET A 58 4.999 4.603 3.396 1.00 0.00 C ATOM 857 CG MET A 58 3.796 3.704 3.627 1.00 0.00 C ATOM 858 SD MET A 58 2.271 4.400 2.962 1.00 0.00 S ATOM 859 CE MET A 58 2.637 4.403 1.208 1.00 0.00 C ATOM 0 H MET A 58 7.078 6.090 3.633 1.00 0.00 H new ATOM 0 HA MET A 58 4.349 6.179 4.707 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.854 5.159 2.470 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.885 3.983 3.260 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.979 2.733 3.166 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.676 3.532 4.697 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.871 5.418 0.887 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.492 3.755 1.014 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.772 4.038 0.655 1.00 0.00 H new ATOM 869 N ASN A 59 4.786 5.058 6.857 1.00 0.00 N ATOM 870 CA ASN A 59 4.997 4.397 8.140 1.00 0.00 C ATOM 871 C ASN A 59 3.977 3.282 8.351 1.00 0.00 C ATOM 872 O ASN A 59 2.769 3.514 8.300 1.00 0.00 O ATOM 873 CB ASN A 59 4.905 5.411 9.282 1.00 0.00 C ATOM 874 CG ASN A 59 5.761 6.638 9.036 1.00 0.00 C ATOM 875 OD1 ASN A 59 5.252 7.564 8.232 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 6.868 6.751 9.563 1.00 0.00 N flip ATOM 0 H ASN A 59 3.988 5.693 6.836 1.00 0.00 H new ATOM 0 HA ASN A 59 5.994 3.957 8.134 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.866 5.716 9.411 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.215 4.935 10.212 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.219 6.014 10.174 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.434 7.582 9.388 1.00 0.00 H new ATOM 883 N VAL A 60 4.472 2.071 8.588 1.00 0.00 N ATOM 884 CA VAL A 60 3.604 0.920 8.808 1.00 0.00 C ATOM 885 C VAL A 60 3.756 0.381 10.226 1.00 0.00 C ATOM 886 O VAL A 60 4.687 -0.369 10.519 1.00 0.00 O ATOM 887 CB VAL A 60 3.905 -0.210 7.806 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.020 -1.416 8.080 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.722 0.282 6.378 1.00 0.00 C ATOM 0 H VAL A 60 5.469 1.862 8.633 1.00 0.00 H new ATOM 0 HA VAL A 60 2.580 1.263 8.660 1.00 0.00 H new ATOM 0 HB VAL A 60 4.944 -0.516 7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.247 -2.204 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.205 -1.781 9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.973 -1.128 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.939 -0.529 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.694 0.616 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.402 1.113 6.189 1.00 0.00 H new ATOM 899 N ALA A 61 2.835 0.768 11.103 1.00 0.00 N ATOM 900 CA ALA A 61 2.865 0.322 12.490 1.00 0.00 C ATOM 901 C ALA A 61 2.056 -0.958 12.672 1.00 0.00 C ATOM 902 O ALA A 61 1.512 -1.502 11.711 1.00 0.00 O ATOM 903 CB ALA A 61 2.341 1.416 13.408 1.00 0.00 C ATOM 0 H ALA A 61 2.059 1.390 10.877 1.00 0.00 H new ATOM 0 HA ALA A 61 3.900 0.107 12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.369 1.069 14.441 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.964 2.305 13.307 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.314 1.659 13.135 1.00 0.00 H new ATOM 909 N ASP A 62 1.982 -1.434 13.910 1.00 0.00 N ATOM 910 CA ASP A 62 1.239 -2.650 14.219 1.00 0.00 C ATOM 911 C ASP A 62 -0.142 -2.621 13.571 1.00 0.00 C ATOM 912 O ASP A 62 -1.052 -1.950 14.056 1.00 0.00 O ATOM 913 CB ASP A 62 1.103 -2.820 15.733 1.00 0.00 C ATOM 914 CG ASP A 62 2.446 -2.866 16.433 1.00 0.00 C ATOM 915 OD1 ASP A 62 3.355 -2.112 16.025 1.00 0.00 O ATOM 916 OD2 ASP A 62 2.589 -3.656 17.390 1.00 0.00 O ATOM 0 H ASP A 62 2.428 -0.996 14.716 1.00 0.00 H new ATOM 0 HA ASP A 62 1.793 -3.498 13.815 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.514 -1.996 16.137 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.555 -3.738 15.945 1.00 0.00 H new ATOM 921 N ALA A 63 -0.290 -3.354 12.472 1.00 0.00 N ATOM 922 CA ALA A 63 -1.560 -3.414 11.759 1.00 0.00 C ATOM 923 C ALA A 63 -2.071 -2.015 11.431 1.00 0.00 C ATOM 924 O ALA A 63 -3.273 -1.752 11.491 1.00 0.00 O ATOM 925 CB ALA A 63 -2.591 -4.176 12.579 1.00 0.00 C ATOM 0 H ALA A 63 0.454 -3.914 12.056 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.397 -3.943 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.534 -4.213 12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.236 -5.191 12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.743 -3.671 13.533 1.00 0.00 H new ATOM 931 N THR A 64 -1.152 -1.120 11.084 1.00 0.00 N ATOM 932 CA THR A 64 -1.510 0.252 10.748 1.00 0.00 C ATOM 933 C THR A 64 -0.514 0.855 9.764 1.00 0.00 C ATOM 934 O THR A 64 0.669 0.514 9.774 1.00 0.00 O ATOM 935 CB THR A 64 -1.572 1.140 12.005 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.390 0.519 13.004 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.129 2.515 11.670 1.00 0.00 C ATOM 0 H THR A 64 -0.154 -1.321 11.028 1.00 0.00 H new ATOM 0 HA THR A 64 -2.497 0.217 10.287 1.00 0.00 H new ATOM 0 HB THR A 64 -0.559 1.260 12.388 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.897 -0.220 13.417 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.163 3.124 12.574 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.488 2.997 10.932 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.135 2.411 11.264 1.00 0.00 H new ATOM 945 N VAL A 65 -1.000 1.753 8.913 1.00 0.00 N ATOM 946 CA VAL A 65 -0.152 2.405 7.922 1.00 0.00 C ATOM 947 C VAL A 65 -0.396 3.909 7.894 1.00 0.00 C ATOM 948 O VAL A 65 -1.374 4.381 7.313 1.00 0.00 O ATOM 949 CB VAL A 65 -0.392 1.831 6.513 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.403 2.610 5.476 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.032 0.353 6.472 1.00 0.00 C ATOM 0 H VAL A 65 -1.977 2.046 8.890 1.00 0.00 H new ATOM 0 HA VAL A 65 0.880 2.213 8.214 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.451 1.931 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.221 2.190 4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.093 3.655 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.466 2.544 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.208 -0.037 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.019 0.227 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.649 -0.192 7.186 1.00 0.00 H new ATOM 961 N THR A 66 0.500 4.661 8.527 1.00 0.00 N ATOM 962 CA THR A 66 0.383 6.113 8.575 1.00 0.00 C ATOM 963 C THR A 66 1.309 6.774 7.560 1.00 0.00 C ATOM 964 O THR A 66 2.479 6.411 7.445 1.00 0.00 O ATOM 965 CB THR A 66 0.708 6.656 9.980 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.018 5.919 10.970 1.00 0.00 O ATOM 967 CG2 THR A 66 0.358 8.133 10.083 1.00 0.00 C ATOM 0 H THR A 66 1.315 4.288 9.014 1.00 0.00 H new ATOM 0 HA THR A 66 -0.651 6.355 8.330 1.00 0.00 H new ATOM 0 HB THR A 66 1.778 6.539 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.195 6.269 11.860 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.596 8.494 11.083 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.933 8.695 9.348 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.706 8.269 9.892 1.00 0.00 H new ATOM 975 N VAL A 67 0.777 7.746 6.827 1.00 0.00 N ATOM 976 CA VAL A 67 1.557 8.460 5.822 1.00 0.00 C ATOM 977 C VAL A 67 2.018 9.815 6.346 1.00 0.00 C ATOM 978 O VAL A 67 1.209 10.722 6.547 1.00 0.00 O ATOM 979 CB VAL A 67 0.748 8.669 4.529 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.567 9.440 3.505 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.293 7.333 3.962 1.00 0.00 C ATOM 0 H VAL A 67 -0.191 8.058 6.910 1.00 0.00 H new ATOM 0 HA VAL A 67 2.429 7.844 5.600 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.138 9.257 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.979 9.578 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.837 10.414 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.473 8.882 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.277 7.501 3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.164 6.717 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.334 6.822 4.693 1.00 0.00 H new ATOM 991 N ILE A 68 3.322 9.947 6.563 1.00 0.00 N ATOM 992 CA ILE A 68 3.891 11.193 7.062 1.00 0.00 C ATOM 993 C ILE A 68 4.649 11.929 5.962 1.00 0.00 C ATOM 994 O ILE A 68 5.144 11.316 5.017 1.00 0.00 O ATOM 995 CB ILE A 68 4.843 10.943 8.246 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.129 10.154 9.346 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.370 12.262 8.790 1.00 0.00 C ATOM 998 CD1 ILE A 68 5.063 9.607 10.402 1.00 0.00 C ATOM 0 H ILE A 68 4.005 9.207 6.401 1.00 0.00 H new ATOM 0 HA ILE A 68 3.057 11.808 7.401 1.00 0.00 H new ATOM 0 HB ILE A 68 5.690 10.354 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.392 10.799 9.824 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.583 9.327 8.892 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.041 12.068 9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.912 12.789 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.535 12.875 9.129 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.487 9.060 11.149 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.785 8.936 9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.591 10.431 10.883 1.00 0.00 H new ATOM 1010 N SER A 69 4.736 13.249 6.094 1.00 0.00 N ATOM 1011 CA SER A 69 5.431 14.071 5.110 1.00 0.00 C ATOM 1012 C SER A 69 6.931 14.098 5.388 1.00 0.00 C ATOM 1013 O SER A 69 7.366 13.895 6.521 1.00 0.00 O ATOM 1014 CB SER A 69 4.874 15.496 5.119 1.00 0.00 C ATOM 1015 OG SER A 69 5.079 16.131 3.869 1.00 0.00 O ATOM 0 H SER A 69 4.334 13.772 6.872 1.00 0.00 H new ATOM 0 HA SER A 69 5.268 13.631 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.809 15.472 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.357 16.074 5.907 1.00 0.00 H new ATOM 0 HG SER A 69 4.713 17.040 3.900 1.00 0.00 H new ATOM 1021 N GLU A 70 7.716 14.351 4.345 1.00 0.00 N ATOM 1022 CA GLU A 70 9.167 14.404 4.477 1.00 0.00 C ATOM 1023 C GLU A 70 9.594 15.612 5.304 1.00 0.00 C ATOM 1024 O GLU A 70 10.460 15.509 6.174 1.00 0.00 O ATOM 1025 CB GLU A 70 9.824 14.459 3.096 1.00 0.00 C ATOM 1026 CG GLU A 70 11.320 14.192 3.123 1.00 0.00 C ATOM 1027 CD GLU A 70 12.057 14.888 1.996 1.00 0.00 C ATOM 1028 OE1 GLU A 70 11.834 14.517 0.824 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.858 15.802 2.284 1.00 0.00 O ATOM 0 H GLU A 70 7.372 14.522 3.400 1.00 0.00 H new ATOM 0 HA GLU A 70 9.493 13.500 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.345 13.728 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.646 15.441 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.727 14.524 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.495 13.118 3.058 1.00 0.00 H new ATOM 1036 N LYS A 71 8.982 16.759 5.027 1.00 0.00 N ATOM 1037 CA LYS A 71 9.297 17.988 5.745 1.00 0.00 C ATOM 1038 C LYS A 71 9.131 17.797 7.249 1.00 0.00 C ATOM 1039 O LYS A 71 10.110 17.790 7.995 1.00 0.00 O ATOM 1040 CB LYS A 71 8.398 19.129 5.263 1.00 0.00 C ATOM 1041 CG LYS A 71 8.654 19.537 3.822 1.00 0.00 C ATOM 1042 CD LYS A 71 9.786 20.545 3.721 1.00 0.00 C ATOM 1043 CE LYS A 71 10.007 20.993 2.284 1.00 0.00 C ATOM 1044 NZ LYS A 71 11.383 21.522 2.073 1.00 0.00 N ATOM 0 H LYS A 71 8.264 16.863 4.310 1.00 0.00 H new ATOM 0 HA LYS A 71 10.337 18.242 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.356 18.828 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.546 19.995 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.898 18.654 3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.746 19.965 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.560 21.411 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.703 20.104 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.834 20.153 1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.279 21.762 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.493 21.817 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.540 22.339 2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.078 20.780 2.293 1.00 0.00 H new ATOM 1058 N ASN A 72 7.886 17.642 7.688 1.00 0.00 N ATOM 1059 CA ASN A 72 7.593 17.450 9.104 1.00 0.00 C ATOM 1060 C ASN A 72 7.273 15.988 9.400 1.00 0.00 C ATOM 1061 O ASN A 72 6.941 15.221 8.497 1.00 0.00 O ATOM 1062 CB ASN A 72 6.421 18.337 9.528 1.00 0.00 C ATOM 1063 CG ASN A 72 5.337 18.408 8.469 1.00 0.00 C ATOM 1064 OD1 ASN A 72 5.315 17.608 7.533 1.00 0.00 O ATOM 1065 ND2 ASN A 72 4.432 19.369 8.613 1.00 0.00 N ATOM 0 H ASN A 72 7.064 17.646 7.084 1.00 0.00 H new ATOM 0 HA ASN A 72 8.478 17.732 9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.995 17.953 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.787 19.342 9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.679 19.467 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.490 20.009 9.405 1.00 0.00 H new ATOM 1072 N GLU A 73 7.374 15.612 10.670 1.00 0.00 N ATOM 1073 CA GLU A 73 7.094 14.242 11.085 1.00 0.00 C ATOM 1074 C GLU A 73 5.698 14.130 11.690 1.00 0.00 C ATOM 1075 O GLU A 73 5.028 13.108 11.546 1.00 0.00 O ATOM 1076 CB GLU A 73 8.140 13.768 12.096 1.00 0.00 C ATOM 1077 CG GLU A 73 8.053 14.475 13.439 1.00 0.00 C ATOM 1078 CD GLU A 73 8.687 15.852 13.415 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.930 15.932 13.331 1.00 0.00 O ATOM 1080 OE2 GLU A 73 7.939 16.850 13.481 1.00 0.00 O ATOM 0 H GLU A 73 7.647 16.236 11.429 1.00 0.00 H new ATOM 0 HA GLU A 73 7.139 13.606 10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.023 12.695 12.251 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.134 13.923 11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.007 14.566 13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.544 13.866 14.198 1.00 0.00 H new ATOM 1087 N GLU A 74 5.268 15.189 12.369 1.00 0.00 N ATOM 1088 CA GLU A 74 3.952 15.209 12.998 1.00 0.00 C ATOM 1089 C GLU A 74 2.847 15.230 11.946 1.00 0.00 C ATOM 1090 O GLU A 74 1.761 14.694 12.162 1.00 0.00 O ATOM 1091 CB GLU A 74 3.820 16.426 13.916 1.00 0.00 C ATOM 1092 CG GLU A 74 3.937 17.754 13.188 1.00 0.00 C ATOM 1093 CD GLU A 74 4.065 18.930 14.137 1.00 0.00 C ATOM 1094 OE1 GLU A 74 4.985 18.913 14.982 1.00 0.00 O ATOM 1095 OE2 GLU A 74 3.246 19.867 14.035 1.00 0.00 O ATOM 0 H GLU A 74 5.811 16.043 12.498 1.00 0.00 H new ATOM 0 HA GLU A 74 3.847 14.301 13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.857 16.384 14.425 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.590 16.375 14.686 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.805 17.728 12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.061 17.896 12.556 1.00 0.00 H new ATOM 1102 N GLU A 75 3.133 15.855 10.808 1.00 0.00 N ATOM 1103 CA GLU A 75 2.162 15.947 9.723 1.00 0.00 C ATOM 1104 C GLU A 75 1.662 14.563 9.321 1.00 0.00 C ATOM 1105 O GLU A 75 2.422 13.742 8.806 1.00 0.00 O ATOM 1106 CB GLU A 75 2.782 16.649 8.513 1.00 0.00 C ATOM 1107 CG GLU A 75 1.970 16.495 7.238 1.00 0.00 C ATOM 1108 CD GLU A 75 0.501 16.813 7.440 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.197 17.756 8.199 1.00 0.00 O ATOM 1110 OE2 GLU A 75 -0.344 16.118 6.838 1.00 0.00 O ATOM 0 H GLU A 75 4.028 16.305 10.613 1.00 0.00 H new ATOM 0 HA GLU A 75 1.313 16.531 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.894 17.710 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.783 16.251 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.378 17.152 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.070 15.474 6.869 1.00 0.00 H new ATOM 1117 N VAL A 76 0.379 14.311 9.560 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.223 13.026 9.223 1.00 0.00 C ATOM 1119 C VAL A 76 -0.988 13.107 7.907 1.00 0.00 C ATOM 1120 O VAL A 76 -2.213 13.240 7.895 1.00 0.00 O ATOM 1121 CB VAL A 76 -1.180 12.547 10.331 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.816 11.219 9.950 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -0.443 12.434 11.658 1.00 0.00 C ATOM 0 H VAL A 76 -0.263 14.979 9.986 1.00 0.00 H new ATOM 0 HA VAL A 76 0.593 12.310 9.123 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.975 13.284 10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.489 10.896 10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.379 11.337 9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.037 10.470 9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.134 12.094 12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.373 11.718 11.561 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.040 13.408 11.935 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.259 13.025 6.800 1.00 0.00 N ATOM 1134 CA LEU A 77 -0.868 13.088 5.476 1.00 0.00 C ATOM 1135 C LEU A 77 -2.145 12.256 5.424 1.00 0.00 C ATOM 1136 O LEU A 77 -3.226 12.774 5.141 1.00 0.00 O ATOM 1137 CB LEU A 77 0.118 12.596 4.415 1.00 0.00 C ATOM 1138 CG LEU A 77 1.368 13.453 4.211 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.341 12.763 3.268 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.990 14.828 3.679 1.00 0.00 C ATOM 0 H LEU A 77 0.755 12.915 6.793 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.125 14.127 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.433 11.587 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.409 12.525 3.463 1.00 0.00 H new ATOM 0 HG LEU A 77 1.859 13.581 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.224 13.388 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.637 11.802 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.861 12.604 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.891 15.425 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.475 14.720 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.332 15.326 4.392 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.014 10.962 5.701 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.158 10.058 5.690 1.00 0.00 C ATOM 1154 C VAL A 78 -2.980 8.934 6.704 1.00 0.00 C ATOM 1155 O VAL A 78 -1.913 8.326 6.790 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.375 9.445 4.293 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.518 8.442 4.322 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.640 10.538 3.268 1.00 0.00 C ATOM 0 H VAL A 78 -1.127 10.517 5.936 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.033 10.650 5.959 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.467 8.917 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.657 8.019 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.284 7.643 5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.434 8.943 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.791 10.088 2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.532 11.095 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.787 11.215 3.229 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.033 8.662 7.469 1.00 0.00 N ATOM 1169 CA GLU A 79 -3.992 7.610 8.478 1.00 0.00 C ATOM 1170 C GLU A 79 -4.823 6.406 8.043 1.00 0.00 C ATOM 1171 O GLU A 79 -6.042 6.385 8.216 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.503 8.139 9.819 1.00 0.00 C ATOM 1173 CG GLU A 79 -3.931 7.406 11.021 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.409 7.984 12.339 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.479 7.559 12.820 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.711 8.862 12.889 1.00 0.00 O ATOM 0 H GLU A 79 -4.924 9.155 7.409 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.956 7.292 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.258 9.198 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.590 8.061 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.211 6.354 10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.842 7.448 10.983 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.154 5.407 7.477 1.00 0.00 N ATOM 1184 CA CYS A 80 -4.831 4.200 7.016 1.00 0.00 C ATOM 1185 C CYS A 80 -4.588 3.040 7.976 1.00 0.00 C ATOM 1186 O CYS A 80 -3.519 2.931 8.576 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.349 3.825 5.613 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.044 2.280 4.983 1.00 0.00 S ATOM 0 H CYS A 80 -3.145 5.409 7.327 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.901 4.403 6.983 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.602 4.632 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.262 3.745 5.623 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.848 2.207 3.700 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.589 2.177 8.118 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.486 1.027 9.009 1.00 0.00 C ATOM 1196 C ARG A 81 -5.924 -0.251 8.299 1.00 0.00 C ATOM 1197 O ARG A 81 -7.052 -0.350 7.816 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.339 1.246 10.260 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.610 1.981 11.373 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.583 2.586 12.372 1.00 0.00 C ATOM 1201 NE ARG A 81 -5.986 3.691 13.117 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.685 4.527 13.877 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.998 4.384 13.992 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -6.070 5.508 14.525 1.00 0.00 N ATOM 0 H ARG A 81 -6.480 2.252 7.628 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.442 0.919 9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.231 1.810 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.675 0.279 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.940 1.292 11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.990 2.769 10.945 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.469 2.941 11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.913 1.815 13.069 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.978 3.828 13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.474 3.631 13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.532 5.027 14.576 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.060 5.621 14.440 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.607 6.149 15.108 1.00 0.00 H new ATOM 1218 N VAL A 82 -5.024 -1.227 8.239 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.317 -2.499 7.590 1.00 0.00 C ATOM 1220 C VAL A 82 -6.765 -2.914 7.822 1.00 0.00 C ATOM 1221 O VAL A 82 -7.484 -3.249 6.880 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.386 -3.616 8.097 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.579 -4.884 7.281 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.936 -3.161 8.056 1.00 0.00 C ATOM 0 H VAL A 82 -4.085 -1.161 8.632 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.150 -2.355 6.522 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.644 -3.837 9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.913 -5.662 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.613 -5.219 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.350 -4.682 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.293 -3.963 8.418 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.662 -2.910 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.812 -2.283 8.690 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.188 -2.888 9.082 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.551 -3.262 9.438 1.00 0.00 C ATOM 1236 C ARG A 83 -9.539 -2.793 8.375 1.00 0.00 C ATOM 1237 O ARG A 83 -10.274 -3.595 7.798 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.927 -2.668 10.797 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.139 -3.254 11.957 1.00 0.00 C ATOM 1240 CD ARG A 83 -6.829 -2.514 12.172 1.00 0.00 C ATOM 1241 NE ARG A 83 -6.415 -2.527 13.572 1.00 0.00 N ATOM 1242 CZ ARG A 83 -6.833 -1.642 14.470 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -7.671 -0.678 14.116 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -6.412 -1.720 15.726 1.00 0.00 N ATOM 0 H ARG A 83 -6.606 -2.612 9.873 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.598 -4.349 9.499 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.769 -1.590 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.991 -2.830 10.973 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.738 -3.206 12.866 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.935 -4.307 11.764 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.051 -2.970 11.560 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.936 -1.483 11.835 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.770 -3.255 13.877 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.997 -0.614 13.152 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.990 -0.000 14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.767 -2.460 16.003 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.734 -1.040 16.415 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.553 -1.489 8.121 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.452 -0.912 7.128 1.00 0.00 C ATOM 1260 C PHE A 84 -10.093 -1.392 5.725 1.00 0.00 C ATOM 1261 O PHE A 84 -10.970 -1.707 4.920 1.00 0.00 O ATOM 1262 CB PHE A 84 -10.397 0.616 7.186 1.00 0.00 C ATOM 1263 CG PHE A 84 -11.082 1.195 8.391 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -12.424 0.946 8.628 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -10.382 1.987 9.287 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -13.056 1.479 9.736 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -11.009 2.522 10.397 1.00 0.00 C ATOM 1268 CZ PHE A 84 -12.348 2.266 10.622 1.00 0.00 C ATOM 0 H PHE A 84 -8.952 -0.811 8.589 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.465 -1.241 7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.355 0.935 7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.858 1.023 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.982 0.329 7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.335 2.189 9.116 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -14.103 1.280 9.908 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.453 3.139 11.087 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.840 2.681 11.489 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.797 -1.446 5.439 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.319 -1.887 4.133 1.00 0.00 C ATOM 1280 C LEU A 85 -9.225 -2.972 3.560 1.00 0.00 C ATOM 1281 O LEU A 85 -9.248 -4.100 4.052 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.885 -2.409 4.241 1.00 0.00 C ATOM 1283 CG LEU A 85 -6.020 -2.258 2.990 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.570 -2.597 3.300 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.547 -3.140 1.867 1.00 0.00 C ATOM 0 H LEU A 85 -8.058 -1.190 6.094 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.337 -1.030 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.392 -1.891 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.923 -3.465 4.507 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.067 -1.220 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.969 -2.484 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.196 -1.924 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.504 -3.626 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.919 -3.019 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.530 -4.183 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.570 -2.850 1.627 1.00 0.00 H new ATOM 1297 N SER A 86 -9.970 -2.624 2.515 1.00 0.00 N ATOM 1298 CA SER A 86 -10.879 -3.568 1.876 1.00 0.00 C ATOM 1299 C SER A 86 -10.150 -4.396 0.822 1.00 0.00 C ATOM 1300 O SER A 86 -10.417 -5.586 0.657 1.00 0.00 O ATOM 1301 CB SER A 86 -12.052 -2.823 1.234 1.00 0.00 C ATOM 1302 OG SER A 86 -11.629 -2.085 0.102 1.00 0.00 O ATOM 0 H SER A 86 -9.962 -1.695 2.093 1.00 0.00 H new ATOM 0 HA SER A 86 -11.261 -4.243 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.822 -3.536 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.502 -2.150 1.963 1.00 0.00 H new ATOM 0 HG SER A 86 -11.818 -2.597 -0.712 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.227 -3.756 0.111 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.459 -4.432 -0.928 1.00 0.00 C ATOM 1310 C PHE A 87 -7.225 -3.619 -1.308 1.00 0.00 C ATOM 1311 O PHE A 87 -7.242 -2.390 -1.268 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.329 -4.666 -2.165 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.560 -5.165 -3.354 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.134 -6.482 -3.418 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.260 -4.317 -4.408 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.426 -6.945 -4.511 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.553 -4.774 -5.504 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.134 -6.089 -5.555 1.00 0.00 C ATOM 0 H PHE A 87 -8.993 -2.771 0.235 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.132 -5.395 -0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.110 -5.386 -1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.827 -3.734 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.358 -7.155 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.582 -3.287 -4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.102 -7.974 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.328 -4.103 -6.320 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.579 -6.447 -6.409 1.00 0.00 H new ATOM 1328 N MET A 88 -6.154 -4.317 -1.674 1.00 0.00 N ATOM 1329 CA MET A 88 -4.911 -3.660 -2.061 1.00 0.00 C ATOM 1330 C MET A 88 -4.275 -4.362 -3.256 1.00 0.00 C ATOM 1331 O MET A 88 -4.414 -5.573 -3.424 1.00 0.00 O ATOM 1332 CB MET A 88 -3.932 -3.642 -0.885 1.00 0.00 C ATOM 1333 CG MET A 88 -3.391 -5.016 -0.523 1.00 0.00 C ATOM 1334 SD MET A 88 -2.136 -4.950 0.770 1.00 0.00 S ATOM 1335 CE MET A 88 -3.040 -5.639 2.155 1.00 0.00 C ATOM 0 H MET A 88 -6.122 -5.336 -1.711 1.00 0.00 H new ATOM 0 HA MET A 88 -5.144 -2.634 -2.346 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.097 -2.984 -1.128 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.431 -3.216 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.214 -5.651 -0.193 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.966 -5.481 -1.413 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.849 -5.043 3.047 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.107 -5.629 1.934 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.714 -6.665 2.328 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.576 -3.593 -4.086 1.00 0.00 N ATOM 1346 CA GLY A 89 -2.930 -4.159 -5.256 1.00 0.00 C ATOM 1347 C GLY A 89 -1.933 -3.206 -5.885 1.00 0.00 C ATOM 1348 O GLY A 89 -1.603 -2.170 -5.307 1.00 0.00 O ATOM 0 H GLY A 89 -3.446 -2.588 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.420 -5.081 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.688 -4.425 -5.993 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.452 -3.556 -7.074 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.486 -2.725 -7.782 1.00 0.00 C ATOM 1354 C VAL A 90 -0.993 -2.357 -9.172 1.00 0.00 C ATOM 1355 O VAL A 90 -1.633 -3.164 -9.845 1.00 0.00 O ATOM 1356 CB VAL A 90 0.875 -3.434 -7.915 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.837 -2.595 -8.742 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.457 -3.730 -6.541 1.00 0.00 C ATOM 0 H VAL A 90 -1.716 -4.409 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.358 -1.817 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 90 0.723 -4.382 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.793 -3.113 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.421 -2.440 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.988 -1.630 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.418 -4.231 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.596 -2.796 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.774 -4.375 -5.988 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.701 -1.132 -9.598 1.00 0.00 N ATOM 1369 CA GLY A 91 -1.134 -0.678 -10.906 1.00 0.00 C ATOM 1370 C GLY A 91 -0.392 -1.367 -12.034 1.00 0.00 C ATOM 1371 O GLY A 91 0.055 -2.505 -11.889 1.00 0.00 O ATOM 0 H GLY A 91 -0.172 -0.446 -9.060 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.203 -0.859 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.984 0.399 -10.981 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.262 -0.678 -13.163 1.00 0.00 N ATOM 1376 CA LYS A 92 0.430 -1.230 -14.321 1.00 0.00 C ATOM 1377 C LYS A 92 1.897 -1.500 -14.001 1.00 0.00 C ATOM 1378 O LYS A 92 2.439 -2.545 -14.363 1.00 0.00 O ATOM 1379 CB LYS A 92 0.325 -0.270 -15.509 1.00 0.00 C ATOM 1380 CG LYS A 92 -0.964 -0.418 -16.298 1.00 0.00 C ATOM 1381 CD LYS A 92 -0.835 -1.473 -17.384 1.00 0.00 C ATOM 1382 CE LYS A 92 -1.874 -1.278 -18.477 1.00 0.00 C ATOM 1383 NZ LYS A 92 -1.833 -2.374 -19.484 1.00 0.00 N ATOM 0 H LYS A 92 -0.627 0.264 -13.300 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.047 -2.175 -14.581 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.403 0.755 -15.145 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.171 -0.437 -16.176 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.776 -0.687 -15.623 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.228 0.539 -16.748 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.164 -1.429 -17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.949 -2.464 -16.945 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.867 -1.233 -18.030 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.704 -0.323 -18.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.556 -2.204 -20.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.894 -2.401 -19.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.021 -3.283 -19.015 1.00 0.00 H new ATOM 1397 N ASP A 93 2.533 -0.554 -13.319 1.00 0.00 N ATOM 1398 CA ASP A 93 3.936 -0.692 -12.947 1.00 0.00 C ATOM 1399 C ASP A 93 4.072 -1.158 -11.501 1.00 0.00 C ATOM 1400 O ASP A 93 3.481 -0.576 -10.592 1.00 0.00 O ATOM 1401 CB ASP A 93 4.669 0.637 -13.139 1.00 0.00 C ATOM 1402 CG ASP A 93 5.228 0.793 -14.539 1.00 0.00 C ATOM 1403 OD1 ASP A 93 6.371 0.346 -14.776 1.00 0.00 O ATOM 1404 OD2 ASP A 93 4.523 1.360 -15.399 1.00 0.00 O ATOM 0 H ASP A 93 2.099 0.317 -13.013 1.00 0.00 H new ATOM 0 HA ASP A 93 4.386 -1.444 -13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.985 1.459 -12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.482 0.708 -12.416 1.00 0.00 H new ATOM 1409 N VAL A 94 4.855 -2.213 -11.295 1.00 0.00 N ATOM 1410 CA VAL A 94 5.068 -2.757 -9.960 1.00 0.00 C ATOM 1411 C VAL A 94 5.539 -1.676 -8.994 1.00 0.00 C ATOM 1412 O VAL A 94 5.304 -1.760 -7.788 1.00 0.00 O ATOM 1413 CB VAL A 94 6.102 -3.899 -9.978 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.654 -5.011 -10.914 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.471 -3.371 -10.381 1.00 0.00 C ATOM 0 H VAL A 94 5.352 -2.707 -12.036 1.00 0.00 H new ATOM 0 HA VAL A 94 4.109 -3.149 -9.622 1.00 0.00 H new ATOM 0 HB VAL A 94 6.178 -4.312 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.397 -5.809 -10.913 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.696 -5.407 -10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.547 -4.615 -11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.189 -4.191 -10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.413 -2.931 -11.376 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.793 -2.613 -9.667 1.00 0.00 H new ATOM 1425 N HIS A 95 6.203 -0.658 -9.532 1.00 0.00 N ATOM 1426 CA HIS A 95 6.706 0.443 -8.717 1.00 0.00 C ATOM 1427 C HIS A 95 5.564 1.153 -7.998 1.00 0.00 C ATOM 1428 O HIS A 95 5.736 1.669 -6.893 1.00 0.00 O ATOM 1429 CB HIS A 95 7.474 1.439 -9.587 1.00 0.00 C ATOM 1430 CG HIS A 95 8.777 0.906 -10.100 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.933 -0.384 -10.562 1.00 0.00 N ATOM 1432 CD2 HIS A 95 9.988 1.498 -10.224 1.00 0.00 C ATOM 1433 CE1 HIS A 95 10.184 -0.563 -10.947 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.845 0.564 -10.752 1.00 0.00 N ATOM 0 H HIS A 95 6.405 -0.572 -10.528 1.00 0.00 H new ATOM 0 HA HIS A 95 7.381 0.029 -7.968 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.850 1.726 -10.433 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.663 2.343 -9.009 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.234 2.515 -9.957 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.596 -1.475 -11.352 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.832 0.716 -10.960 1.00 0.00 H new ATOM 1443 N THR A 96 4.395 1.176 -8.632 1.00 0.00 N ATOM 1444 CA THR A 96 3.225 1.824 -8.054 1.00 0.00 C ATOM 1445 C THR A 96 2.583 0.947 -6.985 1.00 0.00 C ATOM 1446 O THR A 96 2.725 -0.276 -7.003 1.00 0.00 O ATOM 1447 CB THR A 96 2.174 2.152 -9.132 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.695 0.943 -9.732 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.763 3.057 -10.203 1.00 0.00 C ATOM 0 H THR A 96 4.234 0.753 -9.546 1.00 0.00 H new ATOM 0 HA THR A 96 3.570 2.753 -7.599 1.00 0.00 H new ATOM 0 HB THR A 96 1.345 2.673 -8.654 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.336 0.636 -10.407 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.003 3.275 -10.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.101 3.988 -9.747 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.608 2.558 -10.677 1.00 0.00 H new ATOM 1457 N PHE A 97 1.875 1.579 -6.054 1.00 0.00 N ATOM 1458 CA PHE A 97 1.211 0.856 -4.976 1.00 0.00 C ATOM 1459 C PHE A 97 -0.019 1.616 -4.489 1.00 0.00 C ATOM 1460 O PHE A 97 0.092 2.713 -3.942 1.00 0.00 O ATOM 1461 CB PHE A 97 2.179 0.630 -3.813 1.00 0.00 C ATOM 1462 CG PHE A 97 1.513 0.111 -2.571 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.800 -1.077 -2.597 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.600 0.810 -1.378 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.186 -1.557 -1.455 1.00 0.00 C ATOM 1466 CE2 PHE A 97 0.988 0.334 -0.233 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.281 -0.851 -0.272 1.00 0.00 C ATOM 0 H PHE A 97 1.747 2.590 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 97 0.889 -0.110 -5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.950 -0.075 -4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.681 1.569 -3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.723 -1.634 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.152 1.737 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.368 -2.484 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.063 0.889 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.197 -1.225 0.621 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.192 1.024 -4.692 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.443 1.643 -4.272 1.00 0.00 C ATOM 1479 C ALA A 98 -3.262 0.692 -3.406 1.00 0.00 C ATOM 1480 O ALA A 98 -3.237 -0.523 -3.605 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.248 2.081 -5.486 1.00 0.00 C ATOM 0 H ALA A 98 -1.302 0.117 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.203 2.521 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.180 2.542 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.671 2.802 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.471 1.213 -6.107 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.989 1.252 -2.445 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.815 0.454 -1.547 1.00 0.00 C ATOM 1489 C PHE A 99 -6.144 1.150 -1.268 1.00 0.00 C ATOM 1490 O PHE A 99 -6.195 2.369 -1.098 1.00 0.00 O ATOM 1491 CB PHE A 99 -4.075 0.196 -0.233 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.772 1.448 0.540 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.767 2.095 1.255 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.492 1.978 0.550 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.491 3.246 1.968 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.210 3.129 1.261 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.211 3.765 1.970 1.00 0.00 C ATOM 0 H PHE A 99 -4.023 2.256 -2.268 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.020 -0.500 -2.033 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.675 -0.469 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.141 -0.324 -0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.770 1.695 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.706 1.486 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.275 3.739 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.208 3.531 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.993 4.666 2.524 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.217 0.367 -1.222 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.545 0.907 -0.963 1.00 0.00 C ATOM 1509 C ILE A 100 -8.925 0.753 0.506 1.00 0.00 C ATOM 1510 O ILE A 100 -8.964 -0.358 1.034 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.613 0.217 -1.832 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.336 0.471 -3.315 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -11.002 0.710 -1.455 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.937 -0.573 -4.230 1.00 0.00 C ATOM 0 H ILE A 100 -7.192 -0.643 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.509 1.966 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.569 -0.857 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.729 1.450 -3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.258 0.505 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.746 0.213 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.197 0.483 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.060 1.787 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.701 -0.329 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.525 -1.552 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.019 -0.592 -4.100 1.00 0.00 H new ATOM 1526 N MET A 101 -9.205 1.875 1.160 1.00 0.00 N ATOM 1527 CA MET A 101 -9.585 1.864 2.569 1.00 0.00 C ATOM 1528 C MET A 101 -10.956 2.503 2.767 1.00 0.00 C ATOM 1529 O MET A 101 -11.416 3.279 1.930 1.00 0.00 O ATOM 1530 CB MET A 101 -8.539 2.603 3.406 1.00 0.00 C ATOM 1531 CG MET A 101 -8.550 4.109 3.201 1.00 0.00 C ATOM 1532 SD MET A 101 -7.242 4.944 4.119 1.00 0.00 S ATOM 1533 CE MET A 101 -8.146 5.511 5.557 1.00 0.00 C ATOM 0 H MET A 101 -9.176 2.803 0.738 1.00 0.00 H new ATOM 0 HA MET A 101 -9.637 0.826 2.898 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.711 2.387 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.550 2.218 3.159 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.440 4.328 2.139 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.517 4.507 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.537 5.368 6.449 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.382 6.569 5.444 1.00 0.00 H new ATOM 0 HE3 MET A 101 -9.070 4.941 5.654 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.603 2.170 3.878 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.922 2.712 4.186 1.00 0.00 C ATOM 1545 C ASP A 102 -12.804 4.016 4.970 1.00 0.00 C ATOM 1546 O ASP A 102 -12.263 4.042 6.076 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.740 1.696 4.984 1.00 0.00 C ATOM 1548 CG ASP A 102 -14.866 2.344 5.766 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -14.585 2.933 6.830 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -16.027 2.262 5.313 1.00 0.00 O ATOM 0 H ASP A 102 -11.236 1.528 4.580 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.432 2.919 3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.155 0.953 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -13.082 1.165 5.672 1.00 0.00 H new ATOM 1555 N THR A 103 -13.313 5.097 4.388 1.00 0.00 N ATOM 1556 CA THR A 103 -13.263 6.405 5.030 1.00 0.00 C ATOM 1557 C THR A 103 -14.644 7.049 5.074 1.00 0.00 C ATOM 1558 O THR A 103 -14.783 8.257 4.887 1.00 0.00 O ATOM 1559 CB THR A 103 -12.291 7.352 4.301 1.00 0.00 C ATOM 1560 OG1 THR A 103 -12.803 7.675 3.003 1.00 0.00 O ATOM 1561 CG2 THR A 103 -10.916 6.716 4.165 1.00 0.00 C ATOM 0 H THR A 103 -13.765 5.093 3.473 1.00 0.00 H new ATOM 0 HA THR A 103 -12.907 6.244 6.048 1.00 0.00 H new ATOM 0 HB THR A 103 -12.196 8.264 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.084 8.614 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.247 7.403 3.647 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.517 6.498 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.998 5.791 3.595 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.683 4.819 -0.172 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.648 5.518 -0.926 1.00 0.00 C ATOM 1609 C ARG A 107 -16.273 5.283 -0.307 1.00 0.00 C ATOM 1610 O ARG A 107 -15.908 5.922 0.680 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.948 7.017 -0.976 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.822 7.424 -2.151 1.00 0.00 C ATOM 1613 CD ARG A 107 -19.303 8.860 -2.015 1.00 0.00 C ATOM 1614 NE ARG A 107 -18.205 9.818 -2.113 1.00 0.00 N ATOM 1615 CZ ARG A 107 -17.508 10.247 -1.067 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -17.794 9.806 0.150 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -16.523 11.119 -1.237 1.00 0.00 N ATOM 0 HA ARG A 107 -17.643 5.122 -1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.440 7.312 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.008 7.566 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.261 7.313 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.681 6.756 -2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.038 9.071 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.807 8.984 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.960 10.177 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.551 9.136 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.257 10.137 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.300 11.461 -2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.988 11.448 -0.433 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.515 4.363 -0.894 1.00 0.00 N ATOM 1632 CA PHE A 108 -14.181 4.043 -0.400 1.00 0.00 C ATOM 1633 C PHE A 108 -13.117 4.834 -1.155 1.00 0.00 C ATOM 1634 O PHE A 108 -13.275 5.135 -2.338 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.910 2.543 -0.537 1.00 0.00 C ATOM 1636 CG PHE A 108 -15.067 1.684 -0.115 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.690 1.888 1.105 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.532 0.672 -0.940 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.756 1.099 1.496 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.597 -0.120 -0.555 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.209 0.093 0.665 1.00 0.00 C ATOM 0 H PHE A 108 -15.802 3.826 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 108 -14.135 4.319 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.662 2.320 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -13.037 2.283 0.062 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.339 2.673 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.057 0.500 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.234 1.269 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.951 -0.905 -1.207 1.00 0.00 H new ATOM 0 HZ PHE A 108 -18.040 -0.526 0.969 1.00 0.00 H new ATOM 1651 N GLU A 109 -12.033 5.169 -0.461 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.944 5.927 -1.066 1.00 0.00 C ATOM 1653 C GLU A 109 -9.743 5.027 -1.342 1.00 0.00 C ATOM 1654 O GLU A 109 -9.552 4.007 -0.678 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.529 7.082 -0.153 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.674 8.015 0.206 1.00 0.00 C ATOM 1657 CD GLU A 109 -11.214 9.227 0.993 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -10.339 9.069 1.870 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -11.729 10.334 0.731 1.00 0.00 O ATOM 0 H GLU A 109 -11.886 4.928 0.519 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.299 6.331 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.102 6.674 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.743 7.657 -0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.168 8.346 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.415 7.468 0.789 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.938 5.410 -2.327 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.757 4.638 -2.694 1.00 0.00 C ATOM 1668 C CYS A 110 -6.521 5.530 -2.755 1.00 0.00 C ATOM 1669 O CYS A 110 -6.420 6.411 -3.610 1.00 0.00 O ATOM 1670 CB CYS A 110 -7.970 3.948 -4.042 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.585 2.914 -4.570 1.00 0.00 S ATOM 0 H CYS A 110 -9.082 6.251 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.598 3.879 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.868 3.332 -3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.152 4.708 -4.802 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.530 2.892 -5.869 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.584 5.299 -1.842 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.355 6.083 -1.791 1.00 0.00 C ATOM 1679 C HIS A 111 -3.244 5.403 -2.586 1.00 0.00 C ATOM 1680 O HIS A 111 -2.943 4.229 -2.373 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.912 6.282 -0.342 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.914 7.015 0.496 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.081 8.383 0.444 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.806 6.563 1.408 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.032 8.740 1.290 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.488 7.654 1.887 1.00 0.00 N ATOM 0 H HIS A 111 -5.652 4.575 -1.127 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.555 7.056 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.718 5.308 0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.970 6.831 -0.331 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.954 5.535 1.704 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.377 9.749 1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.227 7.630 2.590 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.638 6.150 -3.504 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.561 5.620 -4.331 1.00 0.00 C ATOM 1696 C VAL A 112 -0.218 6.226 -3.939 1.00 0.00 C ATOM 1697 O VAL A 112 -0.121 7.423 -3.664 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.816 5.889 -5.826 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.805 5.143 -6.683 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.237 5.498 -6.202 1.00 0.00 C ATOM 0 H VAL A 112 -2.875 7.124 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.534 4.543 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.696 6.956 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -1.001 5.345 -7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.202 5.476 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.890 4.072 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.400 5.695 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.387 4.437 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.943 6.082 -5.612 1.00 0.00 H new ATOM 1710 N PHE A 113 0.817 5.393 -3.916 1.00 0.00 N ATOM 1711 CA PHE A 113 2.156 5.847 -3.556 1.00 0.00 C ATOM 1712 C PHE A 113 3.212 5.156 -4.414 1.00 0.00 C ATOM 1713 O PHE A 113 3.208 3.934 -4.558 1.00 0.00 O ATOM 1714 CB PHE A 113 2.428 5.578 -2.075 1.00 0.00 C ATOM 1715 CG PHE A 113 1.330 6.052 -1.167 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.198 5.280 -0.965 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.430 7.272 -0.517 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.814 5.714 -0.130 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.421 7.711 0.319 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.703 6.931 0.513 1.00 0.00 C ATOM 0 H PHE A 113 0.755 4.400 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 113 2.211 6.920 -3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.572 4.507 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.360 6.067 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.105 4.328 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.306 7.886 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.691 5.102 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.511 8.663 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.493 7.272 1.166 1.00 0.00 H new ATOM 1730 N TRP A 114 4.115 5.948 -4.980 1.00 0.00 N ATOM 1731 CA TRP A 114 5.178 5.414 -5.824 1.00 0.00 C ATOM 1732 C TRP A 114 6.328 4.878 -4.978 1.00 0.00 C ATOM 1733 O TRP A 114 6.908 5.605 -4.171 1.00 0.00 O ATOM 1734 CB TRP A 114 5.691 6.493 -6.779 1.00 0.00 C ATOM 1735 CG TRP A 114 6.726 5.992 -7.741 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.076 5.945 -7.541 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.494 5.470 -9.053 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.698 5.425 -8.650 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.749 5.125 -9.592 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.349 5.258 -9.825 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.888 4.582 -10.866 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.489 4.719 -11.090 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.750 4.385 -11.600 1.00 0.00 C ATOM 0 H TRP A 114 4.133 6.962 -4.870 1.00 0.00 H new ATOM 0 HA TRP A 114 4.765 4.590 -6.406 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.850 6.900 -7.341 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.113 7.312 -6.197 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.581 6.269 -6.643 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.703 5.285 -8.755 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.372 5.511 -9.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.860 4.325 -11.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.611 4.552 -11.696 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.826 3.964 -12.592 1.00 0.00 H new ATOM 1754 N CYS A 115 6.652 3.604 -5.167 1.00 0.00 N ATOM 1755 CA CYS A 115 7.733 2.971 -4.419 1.00 0.00 C ATOM 1756 C CYS A 115 9.047 3.056 -5.188 1.00 0.00 C ATOM 1757 O CYS A 115 9.067 3.414 -6.365 1.00 0.00 O ATOM 1758 CB CYS A 115 7.392 1.509 -4.128 1.00 0.00 C ATOM 1759 SG CYS A 115 5.940 1.285 -3.074 1.00 0.00 S ATOM 0 H CYS A 115 6.182 2.989 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 115 7.850 3.504 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.225 0.991 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.250 1.035 -3.652 1.00 0.00 H new ATOM 0 HG CYS A 115 4.875 1.203 -3.815 1.00 0.00 H new ATOM 1765 N GLU A 116 10.144 2.725 -4.513 1.00 0.00 N ATOM 1766 CA GLU A 116 11.463 2.767 -5.133 1.00 0.00 C ATOM 1767 C GLU A 116 12.415 1.785 -4.454 1.00 0.00 C ATOM 1768 O GLU A 116 12.621 1.821 -3.241 1.00 0.00 O ATOM 1769 CB GLU A 116 12.039 4.183 -5.063 1.00 0.00 C ATOM 1770 CG GLU A 116 11.242 5.204 -5.858 1.00 0.00 C ATOM 1771 CD GLU A 116 12.049 6.444 -6.189 1.00 0.00 C ATOM 1772 OE1 GLU A 116 12.217 7.299 -5.295 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.512 6.559 -7.343 1.00 0.00 O ATOM 0 H GLU A 116 10.145 2.425 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 116 11.354 2.478 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.080 4.498 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.065 4.168 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.891 4.746 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 116 10.358 5.492 -5.290 1.00 0.00 H new ATOM 1780 N PRO A 117 13.007 0.887 -5.254 1.00 0.00 N ATOM 1781 CA PRO A 117 12.768 0.835 -6.700 1.00 0.00 C ATOM 1782 C PRO A 117 11.361 0.354 -7.038 1.00 0.00 C ATOM 1783 O PRO A 117 10.647 0.990 -7.811 1.00 0.00 O ATOM 1784 CB PRO A 117 13.811 -0.169 -7.196 1.00 0.00 C ATOM 1785 CG PRO A 117 14.095 -1.034 -6.017 1.00 0.00 C ATOM 1786 CD PRO A 117 13.956 -0.148 -4.810 1.00 0.00 C ATOM 0 HA PRO A 117 12.850 1.819 -7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.431 -0.754 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.713 0.336 -7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.398 -1.870 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.097 -1.458 -6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.577 -0.698 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.913 0.284 -4.516 1.00 0.00 H new ATOM 1794 N ASN A 118 10.970 -0.773 -6.452 1.00 0.00 N ATOM 1795 CA ASN A 118 9.648 -1.340 -6.692 1.00 0.00 C ATOM 1796 C ASN A 118 8.823 -1.359 -5.409 1.00 0.00 C ATOM 1797 O ASN A 118 9.295 -0.947 -4.350 1.00 0.00 O ATOM 1798 CB ASN A 118 9.772 -2.758 -7.253 1.00 0.00 C ATOM 1799 CG ASN A 118 11.022 -3.465 -6.766 1.00 0.00 C ATOM 1800 OD1 ASN A 118 11.972 -3.662 -7.524 1.00 0.00 O ATOM 1801 ND2 ASN A 118 11.027 -3.851 -5.495 1.00 0.00 N ATOM 0 H ASN A 118 11.549 -1.311 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 118 9.138 -0.711 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.895 -3.338 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.783 -2.715 -8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.841 -4.332 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 118 10.217 -3.667 -4.903 1.00 0.00 H new ATOM 1808 N ALA A 119 7.589 -1.840 -5.512 1.00 0.00 N ATOM 1809 CA ALA A 119 6.699 -1.915 -4.360 1.00 0.00 C ATOM 1810 C ALA A 119 6.737 -3.302 -3.727 1.00 0.00 C ATOM 1811 O ALA A 119 5.701 -3.855 -3.359 1.00 0.00 O ATOM 1812 CB ALA A 119 5.277 -1.557 -4.767 1.00 0.00 C ATOM 0 H ALA A 119 7.182 -2.184 -6.382 1.00 0.00 H new ATOM 0 HA ALA A 119 7.044 -1.196 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.623 -1.617 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.257 -0.543 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.930 -2.254 -5.530 1.00 0.00 H new ATOM 1818 N ALA A 120 7.937 -3.858 -3.603 1.00 0.00 N ATOM 1819 CA ALA A 120 8.109 -5.180 -3.013 1.00 0.00 C ATOM 1820 C ALA A 120 8.132 -5.103 -1.490 1.00 0.00 C ATOM 1821 O ALA A 120 7.345 -5.764 -0.814 1.00 0.00 O ATOM 1822 CB ALA A 120 9.386 -5.826 -3.530 1.00 0.00 C ATOM 0 H ALA A 120 8.805 -3.414 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 120 7.259 -5.795 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.502 -6.813 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.331 -5.925 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.241 -5.204 -3.265 1.00 0.00 H new ATOM 1828 N ASN A 121 9.039 -4.291 -0.957 1.00 0.00 N ATOM 1829 CA ASN A 121 9.165 -4.129 0.487 1.00 0.00 C ATOM 1830 C ASN A 121 7.868 -3.597 1.089 1.00 0.00 C ATOM 1831 O ASN A 121 7.281 -4.219 1.975 1.00 0.00 O ATOM 1832 CB ASN A 121 10.320 -3.181 0.816 1.00 0.00 C ATOM 1833 CG ASN A 121 11.593 -3.543 0.076 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.744 -3.018 -1.134 1.00 0.00 O flip ATOM 1835 ND2 ASN A 121 12.432 -4.285 0.588 1.00 0.00 N flip ATOM 0 H ASN A 121 9.697 -3.735 -1.503 1.00 0.00 H new ATOM 0 HA ASN A 121 9.372 -5.107 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.033 -2.161 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.509 -3.201 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.274 -4.666 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 121 13.285 -4.519 0.079 1.00 0.00 H new ATOM 1842 N VAL A 122 7.426 -2.442 0.602 1.00 0.00 N ATOM 1843 CA VAL A 122 6.198 -1.826 1.090 1.00 0.00 C ATOM 1844 C VAL A 122 5.041 -2.819 1.074 1.00 0.00 C ATOM 1845 O VAL A 122 4.403 -3.061 2.098 1.00 0.00 O ATOM 1846 CB VAL A 122 5.814 -0.594 0.249 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.481 -0.026 0.711 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.907 0.462 0.323 1.00 0.00 C ATOM 0 H VAL A 122 7.900 -1.914 -0.130 1.00 0.00 H new ATOM 0 HA VAL A 122 6.389 -1.511 2.116 1.00 0.00 H new ATOM 0 HB VAL A 122 5.709 -0.904 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.226 0.844 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.705 -0.784 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.555 0.270 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.620 1.326 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.046 0.770 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.839 0.048 -0.061 1.00 0.00 H new ATOM 1858 N SER A 123 4.777 -3.391 -0.096 1.00 0.00 N ATOM 1859 CA SER A 123 3.694 -4.357 -0.248 1.00 0.00 C ATOM 1860 C SER A 123 3.908 -5.561 0.664 1.00 0.00 C ATOM 1861 O SER A 123 2.973 -6.045 1.301 1.00 0.00 O ATOM 1862 CB SER A 123 3.592 -4.816 -1.703 1.00 0.00 C ATOM 1863 OG SER A 123 3.227 -3.743 -2.553 1.00 0.00 O ATOM 0 H SER A 123 5.298 -3.203 -0.953 1.00 0.00 H new ATOM 0 HA SER A 123 2.762 -3.869 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.548 -5.230 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.855 -5.615 -1.784 1.00 0.00 H new ATOM 0 HG SER A 123 3.941 -3.585 -3.206 1.00 0.00 H new ATOM 1869 N GLU A 124 5.147 -6.039 0.721 1.00 0.00 N ATOM 1870 CA GLU A 124 5.485 -7.187 1.555 1.00 0.00 C ATOM 1871 C GLU A 124 5.131 -6.922 3.015 1.00 0.00 C ATOM 1872 O GLU A 124 4.744 -7.833 3.746 1.00 0.00 O ATOM 1873 CB GLU A 124 6.974 -7.516 1.430 1.00 0.00 C ATOM 1874 CG GLU A 124 7.439 -8.602 2.385 1.00 0.00 C ATOM 1875 CD GLU A 124 8.797 -9.164 2.011 1.00 0.00 C ATOM 1876 OE1 GLU A 124 8.845 -10.109 1.197 1.00 0.00 O ATOM 1877 OE2 GLU A 124 9.812 -8.658 2.535 1.00 0.00 O ATOM 0 H GLU A 124 5.933 -5.650 0.200 1.00 0.00 H new ATOM 0 HA GLU A 124 4.902 -8.040 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.184 -7.829 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.554 -6.611 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.483 -8.197 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.706 -9.409 2.396 1.00 0.00 H new ATOM 1884 N ALA A 125 5.268 -5.668 3.433 1.00 0.00 N ATOM 1885 CA ALA A 125 4.962 -5.282 4.805 1.00 0.00 C ATOM 1886 C ALA A 125 3.456 -5.251 5.044 1.00 0.00 C ATOM 1887 O ALA A 125 2.940 -5.958 5.909 1.00 0.00 O ATOM 1888 CB ALA A 125 5.576 -3.926 5.121 1.00 0.00 C ATOM 0 H ALA A 125 5.589 -4.902 2.841 1.00 0.00 H new ATOM 0 HA ALA A 125 5.394 -6.029 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.340 -3.650 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.658 -3.979 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.171 -3.176 4.442 1.00 0.00 H new ATOM 1894 N VAL A 126 2.756 -4.427 4.271 1.00 0.00 N ATOM 1895 CA VAL A 126 1.308 -4.305 4.398 1.00 0.00 C ATOM 1896 C VAL A 126 0.629 -5.664 4.279 1.00 0.00 C ATOM 1897 O VAL A 126 -0.352 -5.940 4.968 1.00 0.00 O ATOM 1898 CB VAL A 126 0.729 -3.358 3.330 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.133 -3.815 1.936 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.785 -3.277 3.455 1.00 0.00 C ATOM 0 H VAL A 126 3.168 -3.834 3.550 1.00 0.00 H new ATOM 0 HA VAL A 126 1.111 -3.890 5.386 1.00 0.00 H new ATOM 0 HB VAL A 126 1.138 -2.361 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.715 -3.134 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.220 -3.817 1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.754 -4.821 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.177 -2.604 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.215 -4.269 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.049 -2.900 4.443 1.00 0.00 H new ATOM 1910 N GLN A 127 1.159 -6.509 3.401 1.00 0.00 N ATOM 1911 CA GLN A 127 0.603 -7.841 3.192 1.00 0.00 C ATOM 1912 C GLN A 127 0.595 -8.638 4.492 1.00 0.00 C ATOM 1913 O GLN A 127 -0.408 -9.257 4.846 1.00 0.00 O ATOM 1914 CB GLN A 127 1.405 -8.590 2.126 1.00 0.00 C ATOM 1915 CG GLN A 127 0.665 -9.776 1.529 1.00 0.00 C ATOM 1916 CD GLN A 127 1.147 -10.122 0.134 1.00 0.00 C ATOM 1917 OE1 GLN A 127 0.481 -9.574 -0.876 1.00 0.00 O flip ATOM 1918 NE2 GLN A 127 2.107 -10.875 -0.035 1.00 0.00 N flip ATOM 0 H GLN A 127 1.972 -6.295 2.823 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.426 -7.728 2.850 1.00 0.00 H new ATOM 0 HB2 GLN A 127 1.668 -7.897 1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.340 -8.939 2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.791 -10.642 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.402 -9.555 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.590 -11.274 0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 127 2.419 -11.099 -0.980 1.00 0.00 H new ATOM 1927 N ALA A 128 1.719 -8.618 5.200 1.00 0.00 N ATOM 1928 CA ALA A 128 1.841 -9.337 6.462 1.00 0.00 C ATOM 1929 C ALA A 128 0.873 -8.785 7.503 1.00 0.00 C ATOM 1930 O ALA A 128 0.176 -9.542 8.179 1.00 0.00 O ATOM 1931 CB ALA A 128 3.271 -9.263 6.976 1.00 0.00 C ATOM 0 H ALA A 128 2.559 -8.111 4.921 1.00 0.00 H new ATOM 0 HA ALA A 128 1.585 -10.381 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.347 -9.804 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.944 -9.711 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.548 -8.220 7.133 1.00 0.00 H new ATOM 1937 N ALA A 129 0.836 -7.463 7.628 1.00 0.00 N ATOM 1938 CA ALA A 129 -0.047 -6.810 8.587 1.00 0.00 C ATOM 1939 C ALA A 129 -1.440 -7.431 8.561 1.00 0.00 C ATOM 1940 O ALA A 129 -2.115 -7.508 9.588 1.00 0.00 O ATOM 1941 CB ALA A 129 -0.127 -5.318 8.300 1.00 0.00 C ATOM 0 H ALA A 129 1.407 -6.822 7.077 1.00 0.00 H new ATOM 0 HA ALA A 129 0.369 -6.955 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.790 -4.843 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.868 -4.879 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.517 -5.161 7.294 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.864 -7.872 7.382 1.00 0.00 N ATOM 1948 CA CYS A 130 -3.178 -8.486 7.223 1.00 0.00 C ATOM 1949 C CYS A 130 -3.210 -9.873 7.855 1.00 0.00 C ATOM 1950 O CYS A 130 -4.177 -10.240 8.523 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.544 -8.578 5.741 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.436 -7.007 4.854 1.00 0.00 S ATOM 0 H CYS A 130 -1.318 -7.816 6.522 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.910 -7.859 7.732 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.885 -9.301 5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.560 -8.964 5.652 1.00 0.00 H new ATOM 0 HG CYS A 130 -2.217 -6.559 4.912 1.00 0.00 H new ATOM 2337 N HIS A 163 5.791 -12.050 -6.934 1.00 0.00 N ATOM 2338 CA HIS A 163 4.831 -11.551 -5.956 1.00 0.00 C ATOM 2339 C HIS A 163 4.245 -10.215 -6.403 1.00 0.00 C ATOM 2340 O HIS A 163 3.032 -10.009 -6.353 1.00 0.00 O ATOM 2341 CB HIS A 163 5.498 -11.397 -4.588 1.00 0.00 C ATOM 2342 CG HIS A 163 4.862 -10.350 -3.726 1.00 0.00 C ATOM 2343 ND1 HIS A 163 5.168 -9.043 -3.549 1.00 0.00 N flip ATOM 2344 CD2 HIS A 163 3.774 -10.601 -2.917 1.00 0.00 C flip ATOM 2345 CE1 HIS A 163 4.268 -8.533 -2.646 1.00 0.00 C flip ATOM 2346 NE2 HIS A 163 3.437 -9.493 -2.280 1.00 0.00 N flip ATOM 0 HA HIS A 163 4.020 -12.275 -5.877 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.465 -12.354 -4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.549 -11.148 -4.732 1.00 0.00 H new ATOM 0 HD1 HIS A 163 5.926 -8.532 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 163 3.275 -11.554 -2.819 1.00 0.00 H new ATOM 0 HE1 HIS A 163 4.243 -7.513 -2.292 1.00 0.00 H new ATOM 2354 N LEU A 164 5.114 -9.309 -6.838 1.00 0.00 N ATOM 2355 CA LEU A 164 4.683 -7.992 -7.294 1.00 0.00 C ATOM 2356 C LEU A 164 3.637 -8.113 -8.397 1.00 0.00 C ATOM 2357 O LEU A 164 2.577 -7.491 -8.332 1.00 0.00 O ATOM 2358 CB LEU A 164 5.883 -7.188 -7.798 1.00 0.00 C ATOM 2359 CG LEU A 164 6.824 -6.641 -6.724 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.214 -6.414 -7.298 1.00 0.00 C ATOM 2361 CD2 LEU A 164 6.271 -5.352 -6.136 1.00 0.00 C ATOM 0 H LEU A 164 6.121 -9.462 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 164 4.233 -7.471 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.461 -7.820 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.511 -6.350 -8.388 1.00 0.00 H new ATOM 0 HG LEU A 164 6.899 -7.378 -5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.870 -6.025 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.613 -7.358 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.157 -5.697 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.954 -4.978 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 164 6.165 -4.608 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.297 -5.545 -5.687 1.00 0.00 H new ATOM 2373 N SER A 165 3.942 -8.919 -9.409 1.00 0.00 N ATOM 2374 CA SER A 165 3.029 -9.121 -10.528 1.00 0.00 C ATOM 2375 C SER A 165 1.681 -9.646 -10.041 1.00 0.00 C ATOM 2376 O SER A 165 0.628 -9.133 -10.419 1.00 0.00 O ATOM 2377 CB SER A 165 3.634 -10.096 -11.539 1.00 0.00 C ATOM 2378 OG SER A 165 3.662 -11.415 -11.022 1.00 0.00 O ATOM 0 H SER A 165 4.815 -9.443 -9.477 1.00 0.00 H new ATOM 0 HA SER A 165 2.871 -8.158 -11.014 1.00 0.00 H new ATOM 0 HB2 SER A 165 3.053 -10.076 -12.461 1.00 0.00 H new ATOM 0 HB3 SER A 165 4.646 -9.780 -11.793 1.00 0.00 H new ATOM 0 HG SER A 165 2.799 -11.850 -11.187 1.00 0.00 H new ATOM 2384 N LYS A 166 1.723 -10.674 -9.200 1.00 0.00 N ATOM 2385 CA LYS A 166 0.508 -11.270 -8.659 1.00 0.00 C ATOM 2386 C LYS A 166 -0.434 -10.196 -8.125 1.00 0.00 C ATOM 2387 O LYS A 166 -1.639 -10.236 -8.371 1.00 0.00 O ATOM 2388 CB LYS A 166 0.854 -12.261 -7.545 1.00 0.00 C ATOM 2389 CG LYS A 166 1.090 -13.677 -8.042 1.00 0.00 C ATOM 2390 CD LYS A 166 1.128 -14.672 -6.894 1.00 0.00 C ATOM 2391 CE LYS A 166 -0.253 -15.237 -6.600 1.00 0.00 C ATOM 2392 NZ LYS A 166 -0.981 -14.423 -5.588 1.00 0.00 N ATOM 0 H LYS A 166 2.586 -11.112 -8.878 1.00 0.00 H new ATOM 0 HA LYS A 166 0.003 -11.802 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.747 -11.914 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.045 -12.271 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.300 -13.955 -8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.030 -13.719 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 166 1.811 -15.486 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 166 1.520 -14.185 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -0.834 -15.275 -7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -0.157 -16.262 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -1.281 -15.034 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -0.354 -13.676 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -1.818 -13.990 -6.028 1.00 0.00 H new ATOM 2406 N MET A 167 0.124 -9.237 -7.393 1.00 0.00 N ATOM 2407 CA MET A 167 -0.667 -8.151 -6.826 1.00 0.00 C ATOM 2408 C MET A 167 -1.480 -7.448 -7.909 1.00 0.00 C ATOM 2409 O MET A 167 -2.700 -7.332 -7.804 1.00 0.00 O ATOM 2410 CB MET A 167 0.242 -7.144 -6.120 1.00 0.00 C ATOM 2411 CG MET A 167 0.904 -7.697 -4.868 1.00 0.00 C ATOM 2412 SD MET A 167 1.196 -6.429 -3.619 1.00 0.00 S ATOM 2413 CE MET A 167 0.084 -6.967 -2.323 1.00 0.00 C ATOM 0 H MET A 167 1.120 -9.190 -7.179 1.00 0.00 H new ATOM 0 HA MET A 167 -1.357 -8.579 -6.098 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.015 -6.815 -6.815 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.343 -6.264 -5.853 1.00 0.00 H new ATOM 0 HG2 MET A 167 0.275 -8.480 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.853 -8.161 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.698 -6.221 -2.182 1.00 0.00 H new ATOM 0 HE2 MET A 167 -0.368 -7.919 -2.603 1.00 0.00 H new ATOM 0 HE3 MET A 167 0.640 -7.089 -1.394 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.794 -6.980 -8.947 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.453 -6.288 -10.048 1.00 0.00 C ATOM 2425 C GLN A 168 -2.370 -7.234 -10.816 1.00 0.00 C ATOM 2426 O GLN A 168 -3.360 -6.808 -11.410 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.413 -5.686 -10.995 1.00 0.00 C ATOM 2428 CG GLN A 168 0.545 -6.712 -11.579 1.00 0.00 C ATOM 2429 CD GLN A 168 1.273 -6.199 -12.805 1.00 0.00 C ATOM 2430 OE1 GLN A 168 1.265 -6.836 -13.858 1.00 0.00 O ATOM 2431 NE2 GLN A 168 1.909 -5.040 -12.675 1.00 0.00 N ATOM 0 H GLN A 168 0.217 -7.067 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 168 -2.060 -5.486 -9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.928 -5.177 -11.810 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.160 -4.930 -10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.274 -6.996 -10.820 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -0.009 -7.613 -11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.890 -4.545 -11.783 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.417 -4.645 -13.467 1.00 0.00 H new ATOM 2440 N GLN A 169 -2.032 -8.520 -10.800 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.825 -9.526 -11.496 1.00 0.00 C ATOM 2442 C GLN A 169 -4.182 -9.710 -10.825 1.00 0.00 C ATOM 2443 O GLN A 169 -5.222 -9.439 -11.423 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.076 -10.860 -11.533 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.966 -10.906 -12.570 1.00 0.00 C ATOM 2446 CD GLN A 169 -0.273 -12.253 -12.624 1.00 0.00 C ATOM 2447 OE1 GLN A 169 0.724 -12.441 -11.766 1.00 0.00 O flip ATOM 2448 NE2 GLN A 169 -0.628 -13.115 -13.427 1.00 0.00 N flip ATOM 0 H GLN A 169 -1.215 -8.889 -10.313 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.989 -9.181 -12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.651 -11.056 -10.549 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.787 -11.661 -11.738 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -1.381 -10.676 -13.551 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.232 -10.133 -12.345 1.00 0.00 H new ATOM 0 HE21 GLN A 169 -1.399 -12.928 -14.068 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.151 -14.016 -13.451 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.163 -10.172 -9.579 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.393 -10.392 -8.827 1.00 0.00 C ATOM 2459 C ASN A 170 -5.458 -9.474 -7.610 1.00 0.00 C ATOM 2460 O ASN A 170 -6.528 -8.994 -7.239 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.489 -11.854 -8.383 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.198 -12.356 -7.765 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -4.043 -12.362 -6.544 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.264 -12.780 -8.608 1.00 0.00 N ATOM 0 H ASN A 170 -3.310 -10.401 -9.069 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.235 -10.161 -9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.299 -11.959 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.744 -12.476 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.375 -13.129 -8.250 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.436 -12.757 -9.613 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.305 -9.235 -6.993 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.253 -8.375 -5.825 1.00 0.00 C ATOM 2473 C GLY A 171 -4.529 -9.128 -4.539 1.00 0.00 C ATOM 2474 O GLY A 171 -4.537 -10.359 -4.521 1.00 0.00 O ATOM 0 H GLY A 171 -3.406 -9.621 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.270 -7.908 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -4.982 -7.572 -5.936 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.754 -8.387 -3.459 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.028 -8.992 -2.161 1.00 0.00 C ATOM 2480 C TYR A 172 -6.258 -8.363 -1.515 1.00 0.00 C ATOM 2481 O TYR A 172 -6.405 -7.141 -1.495 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.818 -8.837 -1.238 1.00 0.00 C ATOM 2483 CG TYR A 172 -4.074 -9.300 0.179 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.874 -10.626 0.544 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.517 -8.413 1.152 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -4.107 -11.054 1.836 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.751 -8.832 2.447 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.545 -10.153 2.784 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.779 -10.574 4.073 1.00 0.00 O ATOM 0 H TYR A 172 -4.752 -7.367 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.225 -10.053 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -2.982 -9.402 -1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.517 -7.790 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.530 -11.334 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.681 -7.378 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.947 -12.088 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.093 -8.129 3.192 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.183 -11.322 4.286 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.139 -9.208 -0.988 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.358 -8.735 -0.341 1.00 0.00 C ATOM 2501 C GLU A 173 -8.324 -9.019 1.157 1.00 0.00 C ATOM 2502 O GLU A 173 -8.260 -10.173 1.579 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.585 -9.398 -0.970 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.713 -9.151 -2.464 1.00 0.00 C ATOM 2505 CD GLU A 173 -10.542 -10.211 -3.162 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -9.981 -11.274 -3.501 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -11.751 -9.978 -3.369 1.00 0.00 O ATOM 0 H GLU A 173 -7.032 -10.222 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.422 -7.657 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.539 -10.472 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.482 -9.030 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.166 -8.174 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -8.719 -9.121 -2.910 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.366 -7.958 1.956 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.339 -8.092 3.408 1.00 0.00 C ATOM 2516 C ASN A 174 -9.452 -9.018 3.889 1.00 0.00 C ATOM 2517 O ASN A 174 -10.640 -8.756 3.695 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.479 -6.721 4.071 1.00 0.00 C ATOM 2519 CG ASN A 174 -7.737 -6.638 5.391 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.007 -7.556 5.764 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -7.921 -5.533 6.104 1.00 0.00 N ATOM 0 H ASN A 174 -8.419 -6.996 1.622 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.380 -8.527 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.100 -5.954 3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.535 -6.507 4.237 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -7.448 -5.420 7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -8.536 -4.797 5.755 1.00 0.00 H new