USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 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 13 CYS SG : rot -122:sc= 0.407 USER MOD Set 1.2: A 16 CYS SG : rot 125:sc= -1.01 USER MOD Set 1.3: A 29 CYS SG : rot 147:sc= -4.17! USER MOD Set 1.4: A 32 CYS SG : rot -48:sc= 1.48 USER MOD Set 1.5: A 34 SER OG : rot -92:sc= 0.668 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: C 62 GLN :FLIP amide:sc= -0.0128 F(o=-1.1,f=-0.013) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 14 HIS : no HD1:sc= 0.634 K(o=0.63,f=-5.7!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 13:sc= 1.07 USER MOD Single : C 16 MET CE :methyl -141:sc= -0.0984 (180deg=-0.485) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 30:sc= -1.63! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : C 36 GLN :FLIP amide:sc= -0.0354 F(o=-1.7!,f=-0.035) USER MOD Single : C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 38 ASN :FLIP amide:sc= -2.99! C(o=-4.1!,f=-3!) USER MOD Single : C 40 LYS NZ :NH3+ 156:sc= -0.113 (180deg=-0.517) USER MOD Single : C 43 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.19) USER MOD Single : C 45 HIS : no HD1:sc= -0.091 X(o=-0.091,f=0) USER MOD Single : C 49 SER OG : rot 55:sc= 1.26 USER MOD Single : C 51 SER OG : rot -16:sc= 1.11 USER MOD Single : C 54 SER OG : rot 180:sc= -0.442 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -4.31! C(o=-4.3!,f=-10!) USER MOD Single : C 61 TYR OH : rot 0:sc= -2.9! USER MOD Single : C 67 GLN : amide:sc= 0.437 X(o=0.44,f=0) USER MOD Single : C 70 LYS NZ :NH3+ -165:sc= 0.209 (180deg=-0.444!) USER MOD Single : C 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 73 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.1) USER MOD Single : C 75 TYR OH : rot 30:sc= -0.174 USER MOD Single : C 76 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : C 80 LYS NZ :NH3+ 172:sc= 0.00076 (180deg=0) USER MOD Single : C 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -11.458 -9.145 7.854 1.00 0.00 N ATOM 138 CA ARG A 10 -11.663 -7.712 8.027 1.00 0.00 C ATOM 139 C ARG A 10 -10.963 -6.929 6.924 1.00 0.00 C ATOM 140 O ARG A 10 -9.826 -6.505 7.084 1.00 0.00 O ATOM 141 CB ARG A 10 -11.116 -7.270 9.390 1.00 0.00 C ATOM 142 CG ARG A 10 -11.737 -7.995 10.573 1.00 0.00 C ATOM 143 CD ARG A 10 -11.024 -7.651 11.873 1.00 0.00 C ATOM 144 NE ARG A 10 -11.661 -8.272 13.036 1.00 0.00 N ATOM 145 CZ ARG A 10 -11.057 -8.457 14.212 1.00 0.00 C ATOM 146 NH1 ARG A 10 -9.783 -8.110 14.369 1.00 0.00 N ATOM 147 NH2 ARG A 10 -11.728 -8.991 15.229 1.00 0.00 N ATOM 0 HA ARG A 10 -12.733 -7.510 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.038 -7.429 9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.282 -6.199 9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.791 -7.728 10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.693 -9.071 10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.986 -7.977 11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.011 -6.569 12.003 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.628 -8.583 12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.266 -7.702 13.590 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.323 -8.252 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.705 -9.260 15.111 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.266 -9.132 16.127 1.00 0.00 H new ATOM 161 N TYR A 11 -11.645 -6.719 5.813 1.00 0.00 N ATOM 162 CA TYR A 11 -11.091 -5.892 4.756 1.00 0.00 C ATOM 163 C TYR A 11 -11.921 -4.667 4.581 1.00 0.00 C ATOM 164 O TYR A 11 -13.122 -4.680 4.807 1.00 0.00 O ATOM 165 CB TYR A 11 -11.018 -6.599 3.407 1.00 0.00 C ATOM 166 CG TYR A 11 -9.867 -7.542 3.288 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.780 -8.660 4.094 1.00 0.00 C ATOM 168 CD2 TYR A 11 -8.850 -7.289 2.383 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.703 -9.513 4.000 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.762 -8.132 2.287 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.695 -9.245 3.100 1.00 0.00 C ATOM 172 OH TYR A 11 -6.614 -10.092 3.020 1.00 0.00 O ATOM 0 H TYR A 11 -12.570 -7.103 5.620 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.075 -5.651 5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.945 -7.148 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.947 -5.851 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.565 -8.868 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.909 -6.420 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.649 -10.389 4.630 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.971 -7.923 1.583 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.992 -9.765 2.337 1.00 0.00 H new ATOM 182 N PHE A 12 -11.281 -3.610 4.176 1.00 0.00 N ATOM 183 CA PHE A 12 -11.981 -2.396 3.919 1.00 0.00 C ATOM 184 C PHE A 12 -11.711 -1.910 2.512 1.00 0.00 C ATOM 185 O PHE A 12 -10.563 -1.651 2.146 1.00 0.00 O ATOM 186 CB PHE A 12 -11.587 -1.337 4.924 1.00 0.00 C ATOM 187 CG PHE A 12 -12.398 -0.110 4.778 1.00 0.00 C ATOM 188 CD1 PHE A 12 -13.674 -0.056 5.310 1.00 0.00 C ATOM 189 CD2 PHE A 12 -11.893 0.987 4.100 1.00 0.00 C ATOM 190 CE1 PHE A 12 -14.432 1.090 5.172 1.00 0.00 C ATOM 191 CE2 PHE A 12 -12.639 2.127 3.952 1.00 0.00 C ATOM 192 CZ PHE A 12 -13.914 2.185 4.490 1.00 0.00 C ATOM 0 H PHE A 12 -10.274 -3.568 4.018 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.049 -2.591 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.705 -1.732 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.532 -1.092 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.077 -0.910 5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.898 0.943 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.425 1.135 5.593 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.235 2.975 3.419 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.506 3.081 4.380 1.00 0.00 H new ATOM 202 N CYS A 13 -12.763 -1.791 1.723 1.00 0.00 N ATOM 203 CA CYS A 13 -12.637 -1.242 0.395 1.00 0.00 C ATOM 204 C CYS A 13 -12.988 0.230 0.446 1.00 0.00 C ATOM 205 O CYS A 13 -14.090 0.608 0.851 1.00 0.00 O ATOM 206 CB CYS A 13 -13.522 -1.986 -0.597 1.00 0.00 C ATOM 207 SG CYS A 13 -14.263 -0.958 -1.894 1.00 0.00 S ATOM 0 H CYS A 13 -13.710 -2.068 1.982 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.610 -1.360 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.930 -2.769 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.322 -2.480 -0.046 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.558 -1.064 -1.845 1.00 0.00 H new ATOM 212 N HIS A 14 -12.046 1.056 0.050 1.00 0.00 N ATOM 213 CA HIS A 14 -12.186 2.489 0.184 1.00 0.00 C ATOM 214 C HIS A 14 -13.179 3.047 -0.827 1.00 0.00 C ATOM 215 O HIS A 14 -13.721 4.131 -0.637 1.00 0.00 O ATOM 216 CB HIS A 14 -10.832 3.145 0.031 1.00 0.00 C ATOM 217 CG HIS A 14 -9.851 2.775 1.102 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.388 3.670 2.036 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.235 1.600 1.379 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.536 3.066 2.839 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.424 1.811 2.463 1.00 0.00 N ATOM 0 H HIS A 14 -11.167 0.756 -0.371 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.580 2.710 1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.415 2.873 -0.939 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.962 4.227 0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.360 0.670 0.844 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.017 3.525 3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.831 1.109 2.906 1.00 0.00 H new ATOM 230 N CYS A 15 -13.428 2.290 -1.891 1.00 0.00 N ATOM 231 CA CYS A 15 -14.395 2.689 -2.902 1.00 0.00 C ATOM 232 C CYS A 15 -15.819 2.587 -2.362 1.00 0.00 C ATOM 233 O CYS A 15 -16.701 3.344 -2.760 1.00 0.00 O ATOM 234 CB CYS A 15 -14.246 1.843 -4.137 1.00 0.00 C ATOM 235 SG CYS A 15 -15.138 2.463 -5.583 1.00 0.00 S ATOM 0 H CYS A 15 -12.972 1.396 -2.074 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.200 3.729 -3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.187 1.767 -4.384 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -14.595 0.834 -3.915 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.942 1.664 -6.590 1.00 0.00 H new ATOM 241 N CYS A 16 -16.034 1.643 -1.452 1.00 0.00 N ATOM 242 CA CYS A 16 -17.347 1.461 -0.842 1.00 0.00 C ATOM 243 C CYS A 16 -17.489 2.283 0.429 1.00 0.00 C ATOM 244 O CYS A 16 -18.600 2.529 0.892 1.00 0.00 O ATOM 245 CB CYS A 16 -17.605 -0.009 -0.507 1.00 0.00 C ATOM 246 SG CYS A 16 -18.011 -1.042 -1.925 1.00 0.00 S ATOM 0 H CYS A 16 -15.320 0.994 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.080 1.801 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.720 -0.417 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.422 -0.066 0.213 1.00 0.00 H new ATOM 0 HG CYS A 16 -17.184 -2.043 -1.983 1.00 0.00 H new ATOM 251 N SER A 17 -16.346 2.699 0.977 1.00 0.00 N ATOM 252 CA SER A 17 -16.268 3.349 2.291 1.00 0.00 C ATOM 253 C SER A 17 -16.993 2.517 3.355 1.00 0.00 C ATOM 254 O SER A 17 -17.503 3.047 4.343 1.00 0.00 O ATOM 255 CB SER A 17 -16.791 4.801 2.251 1.00 0.00 C ATOM 256 OG SER A 17 -18.122 4.891 1.765 1.00 0.00 O ATOM 0 H SER A 17 -15.440 2.595 0.520 1.00 0.00 H new ATOM 0 HA SER A 17 -15.215 3.404 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.745 5.227 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.136 5.401 1.619 1.00 0.00 H new ATOM 0 HG SER A 17 -18.525 3.998 1.749 1.00 0.00 H new ATOM 262 N VAL A 18 -16.995 1.196 3.148 1.00 0.00 N ATOM 263 CA VAL A 18 -17.669 0.253 4.033 1.00 0.00 C ATOM 264 C VAL A 18 -16.843 -1.026 4.096 1.00 0.00 C ATOM 265 O VAL A 18 -16.212 -1.406 3.103 1.00 0.00 O ATOM 266 CB VAL A 18 -19.098 -0.092 3.541 1.00 0.00 C ATOM 267 CG1 VAL A 18 -19.769 -1.090 4.475 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.959 1.155 3.409 1.00 0.00 C ATOM 0 H VAL A 18 -16.526 0.754 2.358 1.00 0.00 H new ATOM 0 HA VAL A 18 -17.761 0.715 5.016 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.999 -0.544 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.770 -1.316 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.181 -2.007 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.837 -0.663 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.954 0.875 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.038 1.647 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.503 1.838 2.692 1.00 0.00 H new ATOM 278 N GLU A 19 -16.834 -1.675 5.253 1.00 0.00 N ATOM 279 CA GLU A 19 -16.002 -2.849 5.459 1.00 0.00 C ATOM 280 C GLU A 19 -16.573 -4.081 4.752 1.00 0.00 C ATOM 281 O GLU A 19 -17.784 -4.201 4.561 1.00 0.00 O ATOM 282 CB GLU A 19 -15.832 -3.125 6.943 1.00 0.00 C ATOM 283 CG GLU A 19 -14.814 -4.180 7.206 1.00 0.00 C ATOM 284 CD GLU A 19 -14.832 -4.692 8.639 1.00 0.00 C ATOM 285 OE1 GLU A 19 -14.428 -3.941 9.552 1.00 0.00 O ATOM 286 OE2 GLU A 19 -15.270 -5.842 8.861 1.00 0.00 O ATOM 0 H GLU A 19 -17.394 -1.407 6.062 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.026 -2.640 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.540 -2.206 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -16.789 -3.432 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.984 -5.016 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.824 -3.783 6.982 1.00 0.00 H new ATOM 293 N ILE A 20 -15.681 -4.998 4.380 1.00 0.00 N ATOM 294 CA ILE A 20 -16.025 -6.142 3.546 1.00 0.00 C ATOM 295 C ILE A 20 -15.353 -7.425 4.031 1.00 0.00 C ATOM 296 O ILE A 20 -14.469 -7.401 4.889 1.00 0.00 O ATOM 297 CB ILE A 20 -15.568 -5.930 2.095 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.084 -6.187 2.034 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.848 -4.509 1.683 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.550 -6.622 0.707 1.00 0.00 C ATOM 0 H ILE A 20 -14.698 -4.966 4.651 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.109 -6.235 3.607 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.100 -6.605 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.565 -5.276 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.837 -6.951 2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.524 -4.358 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.917 -4.312 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.306 -3.827 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.474 -6.777 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.031 -7.553 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.755 -5.853 -0.038 1.00 0.00 H new ATOM 312 N VAL A 21 -15.806 -8.535 3.470 1.00 0.00 N ATOM 313 CA VAL A 21 -15.058 -9.772 3.449 1.00 0.00 C ATOM 314 C VAL A 21 -14.853 -10.144 1.991 1.00 0.00 C ATOM 315 O VAL A 21 -15.791 -10.493 1.275 1.00 0.00 O ATOM 316 CB VAL A 21 -15.768 -10.917 4.201 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.912 -12.173 4.202 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.113 -10.504 5.625 1.00 0.00 C ATOM 0 H VAL A 21 -16.715 -8.598 3.012 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.109 -9.624 3.965 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.698 -11.135 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.432 -12.967 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.727 -12.488 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.962 -11.965 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.613 -11.329 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.199 -10.248 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.775 -9.638 5.603 1.00 0.00 H new ATOM 328 N PRO A 22 -13.607 -10.032 1.560 1.00 0.00 N ATOM 329 CA PRO A 22 -13.214 -10.052 0.152 1.00 0.00 C ATOM 330 C PRO A 22 -13.352 -11.390 -0.552 1.00 0.00 C ATOM 331 O PRO A 22 -13.638 -12.426 0.047 1.00 0.00 O ATOM 332 CB PRO A 22 -11.740 -9.680 0.195 1.00 0.00 C ATOM 333 CG PRO A 22 -11.297 -9.914 1.589 1.00 0.00 C ATOM 334 CD PRO A 22 -12.466 -9.875 2.455 1.00 0.00 C ATOM 0 HA PRO A 22 -13.866 -9.385 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.164 -10.287 -0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.593 -8.639 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.796 -10.879 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.576 -9.154 1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.434 -10.673 3.197 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.520 -8.934 3.002 1.00 0.00 H new ATOM 342 N ARG A 23 -13.084 -11.320 -1.846 1.00 0.00 N ATOM 343 CA ARG A 23 -13.028 -12.442 -2.728 1.00 0.00 C ATOM 344 C ARG A 23 -11.558 -12.680 -3.043 1.00 0.00 C ATOM 345 O ARG A 23 -11.119 -12.733 -4.193 1.00 0.00 O ATOM 346 CB ARG A 23 -13.859 -12.119 -3.953 1.00 0.00 C ATOM 347 CG ARG A 23 -15.358 -12.165 -3.698 1.00 0.00 C ATOM 348 CD ARG A 23 -16.116 -11.278 -4.655 1.00 0.00 C ATOM 349 NE ARG A 23 -17.562 -11.350 -4.447 1.00 0.00 N ATOM 350 CZ ARG A 23 -18.465 -10.743 -5.219 1.00 0.00 C ATOM 351 NH1 ARG A 23 -18.083 -10.065 -6.298 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.751 -10.834 -4.920 1.00 0.00 N ATOM 0 H ARG A 23 -12.894 -10.435 -2.316 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.438 -13.355 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.590 -11.126 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.612 -12.824 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.712 -13.191 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.562 -11.853 -2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.784 -10.247 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.883 -11.569 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.903 -11.901 -3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.094 -10.007 -6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.779 -9.604 -6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.048 -11.366 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.445 -10.372 -5.507 1.00 0.00 H new ATOM 366 N LEU A 24 -10.833 -12.671 -1.931 1.00 0.00 N ATOM 367 CA LEU A 24 -9.400 -12.961 -1.774 1.00 0.00 C ATOM 368 C LEU A 24 -8.671 -13.514 -3.012 1.00 0.00 C ATOM 369 O LEU A 24 -7.651 -12.941 -3.384 1.00 0.00 O ATOM 370 CB LEU A 24 -9.220 -13.901 -0.571 1.00 0.00 C ATOM 371 CG LEU A 24 -8.016 -13.630 0.337 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.707 -13.901 -0.385 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.054 -12.203 0.862 1.00 0.00 C ATOM 0 H LEU A 24 -11.263 -12.442 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.921 -11.995 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.123 -13.853 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.142 -14.922 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.076 -14.313 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.873 -13.699 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.675 -14.944 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.633 -13.255 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.191 -12.029 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.029 -11.506 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.969 -12.050 1.434 1.00 0.00 H new ATOM 385 N PRO A 25 -9.120 -14.641 -3.630 1.00 0.00 N ATOM 386 CA PRO A 25 -8.528 -15.173 -4.869 1.00 0.00 C ATOM 387 C PRO A 25 -8.012 -14.099 -5.835 1.00 0.00 C ATOM 388 O PRO A 25 -7.003 -14.294 -6.517 1.00 0.00 O ATOM 389 CB PRO A 25 -9.700 -15.912 -5.487 1.00 0.00 C ATOM 390 CG PRO A 25 -10.470 -16.444 -4.324 1.00 0.00 C ATOM 391 CD PRO A 25 -10.211 -15.523 -3.164 1.00 0.00 C ATOM 0 HA PRO A 25 -7.645 -15.778 -4.663 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.312 -15.246 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.361 -16.717 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.535 -16.485 -4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.156 -17.460 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.102 -14.950 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.919 -16.079 -2.273 1.00 0.00 H new ATOM 399 N ASP A 26 -8.707 -12.972 -5.885 1.00 0.00 N ATOM 400 CA ASP A 26 -8.339 -11.866 -6.761 1.00 0.00 C ATOM 401 C ASP A 26 -7.959 -10.621 -5.972 1.00 0.00 C ATOM 402 O ASP A 26 -7.304 -9.715 -6.484 1.00 0.00 O ATOM 403 CB ASP A 26 -9.525 -11.516 -7.617 1.00 0.00 C ATOM 404 CG ASP A 26 -9.318 -11.792 -9.092 1.00 0.00 C ATOM 405 OD1 ASP A 26 -9.262 -12.979 -9.477 1.00 0.00 O ATOM 406 OD2 ASP A 26 -9.216 -10.826 -9.881 1.00 0.00 O ATOM 0 H ASP A 26 -9.539 -12.797 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.482 -12.182 -7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.391 -12.080 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.758 -10.460 -7.484 1.00 0.00 H new ATOM 411 N TYR A 27 -8.401 -10.613 -4.721 1.00 0.00 N ATOM 412 CA TYR A 27 -8.361 -9.445 -3.846 1.00 0.00 C ATOM 413 C TYR A 27 -9.323 -8.394 -4.344 1.00 0.00 C ATOM 414 O TYR A 27 -8.962 -7.248 -4.598 1.00 0.00 O ATOM 415 CB TYR A 27 -6.963 -8.866 -3.689 1.00 0.00 C ATOM 416 CG TYR A 27 -6.017 -9.815 -3.006 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.108 -10.019 -1.643 1.00 0.00 C ATOM 418 CD2 TYR A 27 -5.049 -10.505 -3.713 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.261 -10.888 -0.995 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.192 -11.380 -3.075 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.301 -11.568 -1.714 1.00 0.00 C ATOM 422 OH TYR A 27 -3.449 -12.438 -1.070 1.00 0.00 O ATOM 0 H TYR A 27 -8.807 -11.436 -4.275 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.666 -9.778 -2.854 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.568 -8.609 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.019 -7.940 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.857 -9.487 -1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.962 -10.357 -4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.348 -11.037 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.441 -11.914 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.834 -12.836 -1.721 1.00 0.00 H new ATOM 432 N ILE A 28 -10.556 -8.823 -4.482 1.00 0.00 N ATOM 433 CA ILE A 28 -11.652 -7.953 -4.852 1.00 0.00 C ATOM 434 C ILE A 28 -12.571 -7.764 -3.666 1.00 0.00 C ATOM 435 O ILE A 28 -12.560 -8.551 -2.717 1.00 0.00 O ATOM 436 CB ILE A 28 -12.484 -8.508 -6.028 1.00 0.00 C ATOM 437 CG1 ILE A 28 -12.252 -10.005 -6.157 1.00 0.00 C ATOM 438 CG2 ILE A 28 -12.125 -7.790 -7.316 1.00 0.00 C ATOM 439 CD1 ILE A 28 -13.357 -10.761 -6.853 1.00 0.00 C ATOM 0 H ILE A 28 -10.831 -9.795 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.211 -7.007 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.542 -8.335 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.321 -10.168 -6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.117 -10.424 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.720 -8.193 -8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.330 -6.725 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.066 -7.936 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.102 -11.820 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.288 -10.635 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.481 -10.375 -7.865 1.00 0.00 H new ATOM 451 N CYS A 29 -13.387 -6.750 -3.758 1.00 0.00 N ATOM 452 CA CYS A 29 -14.354 -6.434 -2.738 1.00 0.00 C ATOM 453 C CYS A 29 -15.675 -7.073 -3.145 1.00 0.00 C ATOM 454 O CYS A 29 -15.972 -7.189 -4.322 1.00 0.00 O ATOM 455 CB CYS A 29 -14.454 -4.906 -2.657 1.00 0.00 C ATOM 456 SG CYS A 29 -16.017 -4.237 -2.055 1.00 0.00 S ATOM 0 H CYS A 29 -13.401 -6.111 -4.553 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.076 -6.815 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.655 -4.545 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.267 -4.498 -3.650 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.794 -3.141 -1.393 1.00 0.00 H new ATOM 461 N PRO A 30 -16.469 -7.520 -2.184 1.00 0.00 N ATOM 462 CA PRO A 30 -17.698 -8.253 -2.443 1.00 0.00 C ATOM 463 C PRO A 30 -18.792 -7.262 -2.732 1.00 0.00 C ATOM 464 O PRO A 30 -19.811 -7.566 -3.351 1.00 0.00 O ATOM 465 CB PRO A 30 -17.943 -8.950 -1.108 1.00 0.00 C ATOM 466 CG PRO A 30 -17.455 -7.954 -0.108 1.00 0.00 C ATOM 467 CD PRO A 30 -16.277 -7.280 -0.757 1.00 0.00 C ATOM 0 HA PRO A 30 -17.656 -8.944 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.998 -9.182 -0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.397 -9.891 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.233 -7.232 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.165 -8.442 0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.254 -6.214 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.334 -7.700 -0.406 1.00 0.00 H new ATOM 475 N ARG A 31 -18.535 -6.059 -2.249 1.00 0.00 N ATOM 476 CA ARG A 31 -19.474 -4.972 -2.376 1.00 0.00 C ATOM 477 C ARG A 31 -19.457 -4.316 -3.751 1.00 0.00 C ATOM 478 O ARG A 31 -20.471 -3.786 -4.197 1.00 0.00 O ATOM 479 CB ARG A 31 -19.243 -3.970 -1.309 1.00 0.00 C ATOM 480 CG ARG A 31 -19.589 -4.559 0.017 1.00 0.00 C ATOM 481 CD ARG A 31 -19.440 -3.560 1.148 1.00 0.00 C ATOM 482 NE ARG A 31 -19.616 -4.174 2.465 1.00 0.00 N ATOM 483 CZ ARG A 31 -20.787 -4.285 3.094 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.905 -3.859 2.515 1.00 0.00 N ATOM 485 NH2 ARG A 31 -20.836 -4.817 4.310 1.00 0.00 N ATOM 0 H ARG A 31 -17.673 -5.815 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.469 -5.401 -2.261 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.201 -3.651 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.849 -3.083 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.615 -4.926 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.947 -5.419 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.453 -3.100 1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.171 -2.762 1.022 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.788 -4.542 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.871 -3.444 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.797 -3.947 3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.980 -5.139 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.730 -4.903 4.793 1.00 0.00 H new ATOM 499 N CYS A 32 -18.310 -4.340 -4.428 1.00 0.00 N ATOM 500 CA CYS A 32 -18.220 -3.702 -5.739 1.00 0.00 C ATOM 501 C CYS A 32 -17.242 -4.415 -6.677 1.00 0.00 C ATOM 502 O CYS A 32 -17.112 -4.037 -7.842 1.00 0.00 O ATOM 503 CB CYS A 32 -17.825 -2.229 -5.602 1.00 0.00 C ATOM 504 SG CYS A 32 -16.139 -1.961 -5.002 1.00 0.00 S ATOM 0 H CYS A 32 -17.451 -4.782 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.213 -3.773 -6.184 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -17.934 -1.744 -6.572 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -18.522 -1.740 -4.921 1.00 0.00 H new ATOM 0 HG CYS A 32 -15.930 -2.697 -3.951 1.00 0.00 H new ATOM 509 N GLU A 33 -16.559 -5.445 -6.166 1.00 0.00 N ATOM 510 CA GLU A 33 -15.608 -6.227 -6.965 1.00 0.00 C ATOM 511 C GLU A 33 -14.471 -5.359 -7.506 1.00 0.00 C ATOM 512 O GLU A 33 -14.048 -5.509 -8.649 1.00 0.00 O ATOM 513 CB GLU A 33 -16.321 -6.953 -8.107 1.00 0.00 C ATOM 514 CG GLU A 33 -15.549 -8.158 -8.610 1.00 0.00 C ATOM 515 CD GLU A 33 -16.107 -8.722 -9.897 1.00 0.00 C ATOM 516 OE1 GLU A 33 -17.121 -9.447 -9.842 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.523 -8.456 -10.967 1.00 0.00 O ATOM 0 H GLU A 33 -16.647 -5.758 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.167 -6.972 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.306 -7.274 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.478 -6.258 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.507 -7.877 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.559 -8.934 -7.845 1.00 0.00 H new ATOM 524 N SER A 34 -13.980 -4.449 -6.684 1.00 0.00 N ATOM 525 CA SER A 34 -12.771 -3.713 -7.009 1.00 0.00 C ATOM 526 C SER A 34 -11.668 -4.121 -6.044 1.00 0.00 C ATOM 527 O SER A 34 -11.952 -4.585 -4.936 1.00 0.00 O ATOM 528 CB SER A 34 -13.015 -2.205 -6.939 1.00 0.00 C ATOM 529 OG SER A 34 -13.423 -1.812 -5.642 1.00 0.00 O ATOM 0 H SER A 34 -14.399 -4.202 -5.787 1.00 0.00 H new ATOM 0 HA SER A 34 -12.470 -3.951 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.104 -1.673 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.779 -1.923 -7.664 1.00 0.00 H new ATOM 0 HG SER A 34 -14.402 -1.823 -5.589 1.00 0.00 H new ATOM 535 N GLY A 35 -10.423 -3.958 -6.456 1.00 0.00 N ATOM 536 CA GLY A 35 -9.312 -4.385 -5.633 1.00 0.00 C ATOM 537 C GLY A 35 -8.735 -3.262 -4.798 1.00 0.00 C ATOM 538 O GLY A 35 -7.518 -3.106 -4.705 1.00 0.00 O ATOM 0 H GLY A 35 -10.160 -3.537 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.641 -5.189 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.530 -4.796 -6.271 1.00 0.00 H new ATOM 542 N PHE A 36 -9.611 -2.474 -4.191 1.00 0.00 N ATOM 543 CA PHE A 36 -9.188 -1.379 -3.326 1.00 0.00 C ATOM 544 C PHE A 36 -9.498 -1.709 -1.872 1.00 0.00 C ATOM 545 O PHE A 36 -10.058 -0.892 -1.134 1.00 0.00 O ATOM 546 CB PHE A 36 -9.872 -0.075 -3.739 1.00 0.00 C ATOM 547 CG PHE A 36 -9.385 0.467 -5.052 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.251 1.261 -5.104 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.054 0.184 -6.232 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.796 1.766 -6.303 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.603 0.687 -7.437 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.472 1.479 -7.474 1.00 0.00 C ATOM 0 H PHE A 36 -10.622 -2.572 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.111 -1.247 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.947 -0.242 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.709 0.673 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.717 1.487 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.938 -0.437 -6.209 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.912 2.386 -6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.134 0.461 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.117 1.873 -8.415 1.00 0.00 H new ATOM 562 N ILE A 37 -9.127 -2.918 -1.478 1.00 0.00 N ATOM 563 CA ILE A 37 -9.385 -3.425 -0.137 1.00 0.00 C ATOM 564 C ILE A 37 -8.092 -3.586 0.651 1.00 0.00 C ATOM 565 O ILE A 37 -7.058 -3.911 0.073 1.00 0.00 O ATOM 566 CB ILE A 37 -10.047 -4.799 -0.185 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.357 -5.731 -1.183 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.496 -4.675 -0.498 1.00 0.00 C ATOM 569 CD1 ILE A 37 -10.043 -7.074 -1.319 1.00 0.00 C ATOM 0 H ILE A 37 -8.637 -3.578 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.040 -2.698 0.343 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.941 -5.245 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.324 -5.247 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.325 -5.888 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.948 -5.666 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.984 -4.076 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.619 -4.192 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.504 -7.687 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.053 -7.577 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.067 -6.926 -1.661 1.00 0.00 H new ATOM 581 N GLU A 38 -8.148 -3.386 1.961 1.00 0.00 N ATOM 582 CA GLU A 38 -7.021 -3.686 2.820 1.00 0.00 C ATOM 583 C GLU A 38 -7.479 -4.419 4.080 1.00 0.00 C ATOM 584 O GLU A 38 -8.593 -4.208 4.557 1.00 0.00 O ATOM 585 CB GLU A 38 -6.285 -2.402 3.200 1.00 0.00 C ATOM 586 CG GLU A 38 -7.125 -1.400 3.980 1.00 0.00 C ATOM 587 CD GLU A 38 -6.365 -0.141 4.334 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.323 0.782 3.498 1.00 0.00 O ATOM 589 OE2 GLU A 38 -5.836 -0.057 5.458 1.00 0.00 O ATOM 0 H GLU A 38 -8.965 -3.017 2.448 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.339 -4.335 2.271 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.409 -2.663 3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.923 -1.923 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.003 -1.134 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.485 -1.870 4.895 1.00 0.00 H new ATOM 596 N GLU A 39 -6.621 -5.307 4.580 1.00 0.00 N ATOM 597 CA GLU A 39 -6.830 -5.972 5.864 1.00 0.00 C ATOM 598 C GLU A 39 -6.724 -4.944 6.985 1.00 0.00 C ATOM 599 O GLU A 39 -5.921 -4.011 6.904 1.00 0.00 O ATOM 600 CB GLU A 39 -5.794 -7.061 6.032 1.00 0.00 C ATOM 601 CG GLU A 39 -5.986 -7.930 7.242 1.00 0.00 C ATOM 602 CD GLU A 39 -7.423 -8.270 7.583 1.00 0.00 C ATOM 603 OE1 GLU A 39 -8.068 -8.989 6.803 1.00 0.00 O ATOM 604 OE2 GLU A 39 -7.891 -7.858 8.663 1.00 0.00 O ATOM 0 H GLU A 39 -5.762 -5.585 4.106 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.821 -6.424 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.803 -7.692 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.808 -6.600 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.438 -8.860 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.536 -7.431 8.100 1.00 0.00 H new ATOM 611 N LEU A 40 -7.518 -5.114 8.024 1.00 0.00 N ATOM 612 CA LEU A 40 -7.621 -4.114 9.070 1.00 0.00 C ATOM 613 C LEU A 40 -7.035 -4.630 10.380 1.00 0.00 C ATOM 614 O LEU A 40 -7.798 -5.167 11.208 1.00 0.00 O ATOM 615 CB LEU A 40 -9.090 -3.737 9.250 1.00 0.00 C ATOM 616 CG LEU A 40 -9.853 -3.548 7.937 1.00 0.00 C ATOM 617 CD1 LEU A 40 -11.340 -3.432 8.191 1.00 0.00 C ATOM 618 CD2 LEU A 40 -9.350 -2.331 7.182 1.00 0.00 C ATOM 619 OXT LEU A 40 -5.805 -4.490 10.579 1.00 0.00 O ATOM 0 H LEU A 40 -8.103 -5.937 8.167 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.049 -3.232 8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.584 -4.512 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.149 -2.815 9.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.675 -4.429 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.862 -3.298 7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.698 -4.339 8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.533 -2.575 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.910 -2.222 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.487 -1.440 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.291 -2.456 6.954 1.00 0.00 H new ATOM 855 N MET C 16 16.753 -2.271 -7.301 1.00 0.00 N ATOM 856 CA MET C 16 15.871 -1.249 -7.841 1.00 0.00 C ATOM 857 C MET C 16 14.537 -1.881 -8.214 1.00 0.00 C ATOM 858 O MET C 16 14.465 -2.683 -9.143 1.00 0.00 O ATOM 859 CB MET C 16 16.505 -0.592 -9.071 1.00 0.00 C ATOM 860 CG MET C 16 15.692 0.561 -9.633 1.00 0.00 C ATOM 861 SD MET C 16 16.402 1.252 -11.144 1.00 0.00 S ATOM 862 CE MET C 16 17.994 1.824 -10.554 1.00 0.00 C ATOM 0 HA MET C 16 15.710 -0.480 -7.086 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.499 -0.230 -8.807 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.636 -1.345 -9.848 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.678 0.218 -9.838 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.617 1.346 -8.881 1.00 0.00 H new ATOM 0 HE1 MET C 16 18.236 2.776 -11.026 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.956 1.955 -9.473 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.760 1.090 -10.804 1.00 0.00 H new ATOM 872 N LEU C 17 13.483 -1.529 -7.491 1.00 0.00 N ATOM 873 CA LEU C 17 12.188 -2.120 -7.725 1.00 0.00 C ATOM 874 C LEU C 17 11.329 -1.162 -8.519 1.00 0.00 C ATOM 875 O LEU C 17 11.244 0.026 -8.194 1.00 0.00 O ATOM 876 CB LEU C 17 11.500 -2.443 -6.421 1.00 0.00 C ATOM 877 CG LEU C 17 12.414 -2.764 -5.242 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.661 -2.588 -3.944 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.955 -4.178 -5.340 1.00 0.00 C ATOM 0 H LEU C 17 13.506 -0.838 -6.741 1.00 0.00 H new ATOM 0 HA LEU C 17 12.329 -3.045 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.870 -1.597 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.838 -3.294 -6.584 1.00 0.00 H new ATOM 0 HG LEU C 17 13.258 -2.075 -5.267 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.320 -2.819 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU C 17 11.316 -1.557 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.803 -3.260 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU C 17 13.603 -4.380 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU C 17 12.126 -4.886 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU C 17 13.525 -4.286 -6.263 1.00 0.00 H new ATOM 891 N GLU C 18 10.697 -1.665 -9.560 1.00 0.00 N ATOM 892 CA GLU C 18 9.799 -0.875 -10.329 1.00 0.00 C ATOM 893 C GLU C 18 8.459 -0.889 -9.655 1.00 0.00 C ATOM 894 O GLU C 18 7.661 -1.808 -9.825 1.00 0.00 O ATOM 895 CB GLU C 18 9.726 -1.425 -11.719 1.00 0.00 C ATOM 896 CG GLU C 18 10.844 -0.958 -12.632 1.00 0.00 C ATOM 897 CD GLU C 18 10.722 -1.513 -14.032 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.940 -2.727 -14.217 1.00 0.00 O ATOM 899 OE2 GLU C 18 10.410 -0.732 -14.954 1.00 0.00 O ATOM 0 H GLU C 18 10.800 -2.627 -9.883 1.00 0.00 H new ATOM 0 HA GLU C 18 10.143 0.157 -10.397 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.744 -2.514 -11.668 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.770 -1.142 -12.160 1.00 0.00 H new ATOM 0 HG2 GLU C 18 10.841 0.131 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.803 -1.258 -12.209 1.00 0.00 H new ATOM 906 N VAL C 19 8.244 0.122 -8.854 1.00 0.00 N ATOM 907 CA VAL C 19 7.094 0.179 -8.009 1.00 0.00 C ATOM 908 C VAL C 19 5.889 0.613 -8.803 1.00 0.00 C ATOM 909 O VAL C 19 5.638 1.787 -8.999 1.00 0.00 O ATOM 910 CB VAL C 19 7.363 1.121 -6.830 1.00 0.00 C ATOM 911 CG1 VAL C 19 6.085 1.634 -6.202 1.00 0.00 C ATOM 912 CG2 VAL C 19 8.152 0.406 -5.779 1.00 0.00 C ATOM 0 H VAL C 19 8.866 0.927 -8.774 1.00 0.00 H new ATOM 0 HA VAL C 19 6.886 -0.813 -7.607 1.00 0.00 H new ATOM 0 HB VAL C 19 7.919 1.972 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.328 2.297 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.508 2.182 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.497 0.793 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.340 1.080 -4.944 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.590 -0.459 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL C 19 9.102 0.075 -6.199 1.00 0.00 H new ATOM 922 N LEU C 20 5.170 -0.343 -9.304 1.00 0.00 N ATOM 923 CA LEU C 20 3.964 -0.023 -10.016 1.00 0.00 C ATOM 924 C LEU C 20 2.860 0.111 -8.985 1.00 0.00 C ATOM 925 O LEU C 20 2.760 -0.702 -8.079 1.00 0.00 O ATOM 926 CB LEU C 20 3.609 -1.086 -11.052 1.00 0.00 C ATOM 927 CG LEU C 20 4.754 -1.555 -11.947 1.00 0.00 C ATOM 928 CD1 LEU C 20 5.205 -2.931 -11.528 1.00 0.00 C ATOM 929 CD2 LEU C 20 4.331 -1.561 -13.406 1.00 0.00 C ATOM 0 H LEU C 20 5.389 -1.337 -9.237 1.00 0.00 H new ATOM 0 HA LEU C 20 4.099 0.905 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.203 -1.953 -10.530 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.814 -0.695 -11.687 1.00 0.00 H new ATOM 0 HG LEU C 20 5.586 -0.859 -11.837 1.00 0.00 H new ATOM 0 HD11 LEU C 20 6.022 -3.258 -12.172 1.00 0.00 H new ATOM 0 HD12 LEU C 20 5.547 -2.902 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU C 20 4.373 -3.629 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.163 -1.898 -14.025 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.485 -2.235 -13.537 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.042 -0.554 -13.705 1.00 0.00 H new ATOM 941 N VAL C 21 2.082 1.158 -9.087 1.00 0.00 N ATOM 942 CA VAL C 21 1.070 1.484 -8.099 1.00 0.00 C ATOM 943 C VAL C 21 -0.164 2.017 -8.815 1.00 0.00 C ATOM 944 O VAL C 21 -0.108 3.046 -9.488 1.00 0.00 O ATOM 945 CB VAL C 21 1.622 2.552 -7.119 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.581 3.056 -6.153 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.798 1.996 -6.353 1.00 0.00 C ATOM 0 H VAL C 21 2.129 1.818 -9.863 1.00 0.00 H new ATOM 0 HA VAL C 21 0.804 0.593 -7.531 1.00 0.00 H new ATOM 0 HB VAL C 21 1.937 3.401 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL C 21 1.027 3.801 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.241 3.508 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL C 21 0.203 2.224 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.177 2.754 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.482 1.120 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.585 1.711 -7.051 1.00 0.00 H new ATOM 957 N LYS C 22 -1.268 1.307 -8.695 1.00 0.00 N ATOM 958 CA LYS C 22 -2.481 1.687 -9.375 1.00 0.00 C ATOM 959 C LYS C 22 -3.260 2.642 -8.492 1.00 0.00 C ATOM 960 O LYS C 22 -3.139 2.608 -7.267 1.00 0.00 O ATOM 961 CB LYS C 22 -3.362 0.473 -9.706 1.00 0.00 C ATOM 962 CG LYS C 22 -2.697 -0.651 -10.506 1.00 0.00 C ATOM 963 CD LYS C 22 -3.727 -1.706 -10.906 1.00 0.00 C ATOM 964 CE LYS C 22 -4.951 -1.093 -11.575 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.880 -2.135 -12.084 1.00 0.00 N ATOM 0 H LYS C 22 -1.346 0.461 -8.130 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.205 2.163 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -3.732 0.054 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.230 0.823 -10.264 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.224 -0.240 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -1.909 -1.112 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.265 -2.423 -11.585 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.039 -2.261 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.474 -0.456 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.633 -0.455 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.700 -1.680 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.388 -2.727 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.203 -2.728 -11.293 1.00 0.00 H new ATOM 979 N THR C 23 -4.058 3.476 -9.110 1.00 0.00 N ATOM 980 CA THR C 23 -4.834 4.467 -8.393 1.00 0.00 C ATOM 981 C THR C 23 -6.322 4.237 -8.614 1.00 0.00 C ATOM 982 O THR C 23 -6.716 3.418 -9.448 1.00 0.00 O ATOM 983 CB THR C 23 -4.462 5.895 -8.846 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.533 5.987 -10.274 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.062 6.276 -8.377 1.00 0.00 C ATOM 0 H THR C 23 -4.191 3.491 -10.121 1.00 0.00 H new ATOM 0 HA THR C 23 -4.606 4.365 -7.332 1.00 0.00 H new ATOM 0 HB THR C 23 -5.174 6.588 -8.397 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.298 6.896 -10.555 1.00 0.00 H new ATOM 0 HG21 THR C 23 -2.829 7.287 -8.711 1.00 0.00 H new ATOM 0 HG22 THR C 23 -3.019 6.235 -7.289 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.336 5.579 -8.795 1.00 0.00 H new ATOM 1052 N THR C 28 -2.256 2.936 -13.549 1.00 0.00 N ATOM 1053 CA THR C 28 -1.103 2.258 -12.963 1.00 0.00 C ATOM 1054 C THR C 28 0.119 3.165 -13.108 1.00 0.00 C ATOM 1055 O THR C 28 0.561 3.424 -14.229 1.00 0.00 O ATOM 1056 CB THR C 28 -0.786 0.942 -13.690 1.00 0.00 C ATOM 1057 OG1 THR C 28 -1.836 -0.013 -13.481 1.00 0.00 O ATOM 1058 CG2 THR C 28 0.548 0.383 -13.209 1.00 0.00 C ATOM 0 HA THR C 28 -1.335 2.042 -11.920 1.00 0.00 H new ATOM 0 HB THR C 28 -0.714 1.143 -14.759 1.00 0.00 H new ATOM 0 HG1 THR C 28 -2.688 0.457 -13.366 1.00 0.00 H new ATOM 0 HG21 THR C 28 0.761 -0.549 -13.732 1.00 0.00 H new ATOM 0 HG22 THR C 28 1.340 1.103 -13.414 1.00 0.00 H new ATOM 0 HG23 THR C 28 0.498 0.195 -12.137 1.00 0.00 H new ATOM 1066 N ARG C 29 0.668 3.667 -12.017 1.00 0.00 N ATOM 1067 CA ARG C 29 1.838 4.520 -12.130 1.00 0.00 C ATOM 1068 C ARG C 29 3.012 3.900 -11.411 1.00 0.00 C ATOM 1069 O ARG C 29 2.834 3.198 -10.431 1.00 0.00 O ATOM 1070 CB ARG C 29 1.573 5.910 -11.587 1.00 0.00 C ATOM 1071 CG ARG C 29 0.390 6.586 -12.240 1.00 0.00 C ATOM 1072 CD ARG C 29 0.102 7.937 -11.607 1.00 0.00 C ATOM 1073 NE ARG C 29 -1.159 8.515 -12.070 1.00 0.00 N ATOM 1074 CZ ARG C 29 -1.527 9.774 -11.834 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -0.697 10.607 -11.216 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -2.718 10.202 -12.234 1.00 0.00 N ATOM 0 H ARG C 29 0.335 3.506 -11.067 1.00 0.00 H new ATOM 0 HA ARG C 29 2.074 4.614 -13.190 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.400 5.847 -10.513 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.461 6.525 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.586 6.716 -13.304 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.489 5.947 -12.153 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.071 7.828 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG C 29 0.918 8.623 -11.835 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.793 7.921 -12.604 1.00 0.00 H new ATOM 0 HH11 ARG C 29 0.224 10.284 -10.921 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -0.981 11.570 -11.037 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -3.351 9.568 -12.721 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -3.001 11.165 -12.054 1.00 0.00 H new ATOM 1090 N THR C 30 4.208 4.162 -11.890 1.00 0.00 N ATOM 1091 CA THR C 30 5.380 3.535 -11.348 1.00 0.00 C ATOM 1092 C THR C 30 6.207 4.509 -10.506 1.00 0.00 C ATOM 1093 O THR C 30 6.340 5.685 -10.840 1.00 0.00 O ATOM 1094 CB THR C 30 6.225 2.965 -12.482 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.892 3.607 -13.724 1.00 0.00 O ATOM 1096 CG2 THR C 30 6.040 1.467 -12.610 1.00 0.00 C ATOM 0 H THR C 30 4.389 4.809 -12.658 1.00 0.00 H new ATOM 0 HA THR C 30 5.059 2.728 -10.689 1.00 0.00 H new ATOM 0 HB THR C 30 7.271 3.159 -12.246 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.443 3.233 -14.443 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.656 1.093 -13.427 1.00 0.00 H new ATOM 0 HG22 THR C 30 6.338 0.983 -11.680 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.992 1.246 -12.815 1.00 0.00 H new ATOM 1104 N PHE C 31 6.760 3.994 -9.413 1.00 0.00 N ATOM 1105 CA PHE C 31 7.487 4.791 -8.437 1.00 0.00 C ATOM 1106 C PHE C 31 8.805 4.140 -8.132 1.00 0.00 C ATOM 1107 O PHE C 31 9.086 3.751 -7.002 1.00 0.00 O ATOM 1108 CB PHE C 31 6.687 4.914 -7.161 1.00 0.00 C ATOM 1109 CG PHE C 31 5.409 5.606 -7.361 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.418 6.841 -7.947 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.222 5.049 -6.937 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.248 7.538 -8.128 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.039 5.730 -7.117 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.049 6.983 -7.715 1.00 0.00 C ATOM 0 H PHE C 31 6.715 3.002 -9.179 1.00 0.00 H new ATOM 0 HA PHE C 31 7.654 5.785 -8.853 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.498 3.919 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.275 5.453 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.354 7.273 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.220 4.078 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.264 8.514 -8.590 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.107 5.291 -6.794 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.124 7.523 -7.857 1.00 0.00 H new ATOM 1124 N ILE C 32 9.588 4.005 -9.161 1.00 0.00 N ATOM 1125 CA ILE C 32 10.829 3.288 -9.090 1.00 0.00 C ATOM 1126 C ILE C 32 11.779 3.794 -8.050 1.00 0.00 C ATOM 1127 O ILE C 32 12.210 4.947 -8.031 1.00 0.00 O ATOM 1128 CB ILE C 32 11.498 3.230 -10.437 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.638 2.414 -11.280 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.816 2.538 -10.349 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.829 3.148 -12.319 1.00 0.00 C ATOM 0 H ILE C 32 9.383 4.392 -10.082 1.00 0.00 H new ATOM 0 HA ILE C 32 10.559 2.280 -8.775 1.00 0.00 H new ATOM 0 HB ILE C 32 11.653 4.239 -10.820 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.258 1.676 -11.788 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.951 1.864 -10.637 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.279 2.509 -11.336 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.465 3.078 -9.659 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.669 1.520 -9.988 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.229 2.435 -12.884 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.172 3.866 -11.828 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.500 3.675 -12.997 1.00 0.00 H new ATOM 1143 N VAL C 33 12.078 2.859 -7.196 1.00 0.00 N ATOM 1144 CA VAL C 33 12.982 3.054 -6.075 1.00 0.00 C ATOM 1145 C VAL C 33 13.909 1.879 -5.900 1.00 0.00 C ATOM 1146 O VAL C 33 14.025 1.028 -6.774 1.00 0.00 O ATOM 1147 CB VAL C 33 12.194 3.260 -4.776 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.523 4.585 -4.859 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.165 2.157 -4.590 1.00 0.00 C ATOM 0 H VAL C 33 11.697 1.914 -7.251 1.00 0.00 H new ATOM 0 HA VAL C 33 13.575 3.942 -6.294 1.00 0.00 H new ATOM 0 HB VAL C 33 12.868 3.226 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.953 4.762 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.274 5.367 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.850 4.599 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.617 2.323 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.469 2.164 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.670 1.192 -4.546 1.00 0.00 H new ATOM 1159 N GLY C 34 14.560 1.845 -4.761 1.00 0.00 N ATOM 1160 CA GLY C 34 15.423 0.724 -4.446 1.00 0.00 C ATOM 1161 C GLY C 34 14.705 -0.305 -3.610 1.00 0.00 C ATOM 1162 O GLY C 34 13.503 -0.197 -3.373 1.00 0.00 O ATOM 0 H GLY C 34 14.512 2.569 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.775 0.264 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.303 1.080 -3.911 1.00 0.00 H new ATOM 1166 N ALA C 35 15.450 -1.267 -3.115 1.00 0.00 N ATOM 1167 CA ALA C 35 14.901 -2.327 -2.317 1.00 0.00 C ATOM 1168 C ALA C 35 15.253 -2.039 -0.912 1.00 0.00 C ATOM 1169 O ALA C 35 16.323 -2.467 -0.467 1.00 0.00 O ATOM 1170 CB ALA C 35 15.459 -3.685 -2.654 1.00 0.00 C ATOM 0 H ALA C 35 16.458 -1.332 -3.258 1.00 0.00 H new ATOM 0 HA ALA C 35 13.828 -2.361 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.999 -4.437 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA C 35 15.244 -3.918 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA C 35 16.538 -3.684 -2.497 1.00 0.00 H new ATOM 1176 N GLN C 36 14.428 -1.189 -0.310 1.00 0.00 N ATOM 1177 CA GLN C 36 14.457 -0.900 1.142 1.00 0.00 C ATOM 1178 C GLN C 36 14.999 0.491 1.323 1.00 0.00 C ATOM 1179 O GLN C 36 15.424 0.904 2.401 1.00 0.00 O ATOM 1180 CB GLN C 36 15.286 -1.968 1.830 1.00 0.00 C ATOM 1181 CG GLN C 36 14.546 -3.266 2.016 1.00 0.00 C ATOM 1182 CD GLN C 36 15.415 -4.238 2.724 1.00 0.00 C ATOM 1183 OE1 GLN C 36 16.685 -4.220 2.384 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 14.953 -5.044 3.527 1.00 0.00 N flip ATOM 0 H GLN C 36 13.708 -0.669 -0.811 1.00 0.00 H new ATOM 0 HA GLN C 36 13.466 -0.929 1.596 1.00 0.00 H new ATOM 0 HB2 GLN C 36 16.187 -2.152 1.245 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.608 -1.598 2.804 1.00 0.00 H new ATOM 0 HG2 GLN C 36 13.633 -3.097 2.586 1.00 0.00 H new ATOM 0 HG3 GLN C 36 14.247 -3.668 1.048 1.00 0.00 H new ATOM 0 HE21 GLN C 36 13.960 -5.020 3.760 1.00 0.00 H new ATOM 0 HE22 GLN C 36 15.562 -5.738 3.961 1.00 0.00 H new ATOM 1193 N MET C 37 14.979 1.180 0.200 1.00 0.00 N ATOM 1194 CA MET C 37 15.270 2.588 0.112 1.00 0.00 C ATOM 1195 C MET C 37 14.406 3.401 1.077 1.00 0.00 C ATOM 1196 O MET C 37 14.877 3.832 2.127 1.00 0.00 O ATOM 1197 CB MET C 37 15.025 3.022 -1.316 1.00 0.00 C ATOM 1198 CG MET C 37 16.034 4.003 -1.855 1.00 0.00 C ATOM 1199 SD MET C 37 15.745 5.685 -1.278 1.00 0.00 S ATOM 1200 CE MET C 37 17.091 6.554 -2.074 1.00 0.00 C ATOM 0 H MET C 37 14.752 0.759 -0.701 1.00 0.00 H new ATOM 0 HA MET C 37 16.308 2.766 0.394 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.020 2.139 -1.955 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.033 3.469 -1.381 1.00 0.00 H new ATOM 0 HG2 MET C 37 17.035 3.688 -1.559 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.004 3.987 -2.944 1.00 0.00 H new ATOM 0 HE1 MET C 37 17.047 7.611 -1.812 1.00 0.00 H new ATOM 0 HE2 MET C 37 18.041 6.137 -1.741 1.00 0.00 H new ATOM 0 HE3 MET C 37 17.006 6.444 -3.155 1.00 0.00 H new ATOM 1210 N ASN C 38 13.133 3.613 0.727 1.00 0.00 N ATOM 1211 CA ASN C 38 12.248 4.392 1.570 1.00 0.00 C ATOM 1212 C ASN C 38 10.998 3.639 1.973 1.00 0.00 C ATOM 1213 O ASN C 38 11.024 2.844 2.897 1.00 0.00 O ATOM 1214 CB ASN C 38 11.845 5.669 0.859 1.00 0.00 C ATOM 1215 CG ASN C 38 12.974 6.631 0.601 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.977 6.613 1.443 1.00 0.00 O flip ATOM 1217 ND2 ASN C 38 12.936 7.389 -0.366 1.00 0.00 N flip ATOM 0 H ASN C 38 12.705 3.256 -0.127 1.00 0.00 H new ATOM 0 HA ASN C 38 12.806 4.615 2.480 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.384 5.408 -0.094 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.084 6.175 1.453 1.00 0.00 H new ATOM 0 HD21 ASN C 38 12.135 7.370 -0.997 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.705 8.037 -0.537 1.00 0.00 H new ATOM 1224 N VAL C 39 9.919 3.906 1.255 1.00 0.00 N ATOM 1225 CA VAL C 39 8.558 3.585 1.678 1.00 0.00 C ATOM 1226 C VAL C 39 8.006 4.676 2.581 1.00 0.00 C ATOM 1227 O VAL C 39 6.836 5.020 2.522 1.00 0.00 O ATOM 1228 CB VAL C 39 8.395 2.200 2.325 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.223 2.345 3.797 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.191 1.519 1.739 1.00 0.00 C ATOM 0 H VAL C 39 9.962 4.361 0.343 1.00 0.00 H new ATOM 0 HA VAL C 39 7.973 3.539 0.760 1.00 0.00 H new ATOM 0 HB VAL C 39 9.285 1.602 2.130 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.108 1.360 4.249 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.099 2.838 4.219 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.336 2.944 4.002 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.071 0.536 2.195 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.303 2.120 1.933 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.324 1.406 0.663 1.00 0.00 H new ATOM 1240 N LYS C 40 8.874 5.237 3.381 1.00 0.00 N ATOM 1241 CA LYS C 40 8.534 6.312 4.259 1.00 0.00 C ATOM 1242 C LYS C 40 8.547 7.599 3.483 1.00 0.00 C ATOM 1243 O LYS C 40 7.515 8.208 3.202 1.00 0.00 O ATOM 1244 CB LYS C 40 9.557 6.353 5.392 1.00 0.00 C ATOM 1245 CG LYS C 40 10.086 4.995 5.784 1.00 0.00 C ATOM 1246 CD LYS C 40 11.429 4.705 5.127 1.00 0.00 C ATOM 1247 CE LYS C 40 12.574 5.365 5.878 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.733 4.804 7.247 1.00 0.00 N ATOM 0 H LYS C 40 9.851 4.951 3.438 1.00 0.00 H new ATOM 0 HA LYS C 40 7.539 6.170 4.681 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.393 6.985 5.092 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.101 6.821 6.264 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.192 4.944 6.868 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.367 4.227 5.498 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.591 3.628 5.089 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.415 5.062 4.097 1.00 0.00 H new ATOM 0 HE2 LYS C 40 13.500 5.230 5.320 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.395 6.438 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.710 4.952 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 12.076 5.282 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 12.524 3.785 7.231 1.00 0.00 H new ATOM 1262 N GLU C 41 9.746 7.969 3.120 1.00 0.00 N ATOM 1263 CA GLU C 41 9.996 9.080 2.257 1.00 0.00 C ATOM 1264 C GLU C 41 9.349 8.869 0.893 1.00 0.00 C ATOM 1265 O GLU C 41 8.967 9.813 0.212 1.00 0.00 O ATOM 1266 CB GLU C 41 11.495 9.225 2.118 1.00 0.00 C ATOM 1267 CG GLU C 41 12.190 9.628 3.409 1.00 0.00 C ATOM 1268 CD GLU C 41 13.700 9.646 3.281 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.237 10.560 2.619 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.361 8.751 3.851 1.00 0.00 O ATOM 0 H GLU C 41 10.593 7.491 3.427 1.00 0.00 H new ATOM 0 HA GLU C 41 9.563 9.986 2.680 1.00 0.00 H new ATOM 0 HB2 GLU C 41 11.912 8.280 1.770 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.710 9.970 1.352 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.843 10.617 3.710 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.905 8.936 4.201 1.00 0.00 H new ATOM 1277 N PHE C 42 9.229 7.607 0.522 1.00 0.00 N ATOM 1278 CA PHE C 42 8.619 7.200 -0.733 1.00 0.00 C ATOM 1279 C PHE C 42 7.169 7.653 -0.789 1.00 0.00 C ATOM 1280 O PHE C 42 6.747 8.287 -1.754 1.00 0.00 O ATOM 1281 CB PHE C 42 8.725 5.678 -0.866 1.00 0.00 C ATOM 1282 CG PHE C 42 7.789 5.055 -1.856 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.469 4.816 -1.517 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.227 4.707 -3.116 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.599 4.247 -2.418 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.361 4.136 -4.025 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.043 3.907 -3.674 1.00 0.00 C ATOM 0 H PHE C 42 9.556 6.826 1.090 1.00 0.00 H new ATOM 0 HA PHE C 42 9.143 7.668 -1.566 1.00 0.00 H new ATOM 0 HB2 PHE C 42 9.747 5.425 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE C 42 8.544 5.231 0.111 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.117 5.080 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.256 4.883 -3.393 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.571 4.068 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.712 3.868 -5.011 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.363 3.462 -4.386 1.00 0.00 H new ATOM 1297 N LYS C 43 6.415 7.323 0.255 1.00 0.00 N ATOM 1298 CA LYS C 43 5.020 7.721 0.337 1.00 0.00 C ATOM 1299 C LYS C 43 4.897 9.234 0.268 1.00 0.00 C ATOM 1300 O LYS C 43 4.060 9.778 -0.452 1.00 0.00 O ATOM 1301 CB LYS C 43 4.396 7.217 1.633 1.00 0.00 C ATOM 1302 CG LYS C 43 4.107 5.724 1.649 1.00 0.00 C ATOM 1303 CD LYS C 43 3.552 5.280 2.993 1.00 0.00 C ATOM 1304 CE LYS C 43 2.330 6.099 3.389 1.00 0.00 C ATOM 1305 NZ LYS C 43 1.812 5.750 4.738 1.00 0.00 N ATOM 0 H LYS C 43 6.749 6.782 1.053 1.00 0.00 H new ATOM 0 HA LYS C 43 4.490 7.280 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.064 7.455 2.461 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.466 7.757 1.809 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.394 5.482 0.861 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.022 5.173 1.431 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.285 4.224 2.947 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.322 5.381 3.757 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.586 7.158 3.367 1.00 0.00 H new ATOM 0 HE3 LYS C 43 1.542 5.946 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.224 6.529 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 1.239 4.884 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 2.610 5.592 5.386 1.00 0.00 H new ATOM 1319 N GLU C 44 5.747 9.901 1.028 1.00 0.00 N ATOM 1320 CA GLU C 44 5.802 11.343 1.054 1.00 0.00 C ATOM 1321 C GLU C 44 6.121 11.911 -0.334 1.00 0.00 C ATOM 1322 O GLU C 44 5.627 12.974 -0.708 1.00 0.00 O ATOM 1323 CB GLU C 44 6.864 11.757 2.063 1.00 0.00 C ATOM 1324 CG GLU C 44 6.595 13.099 2.695 1.00 0.00 C ATOM 1325 CD GLU C 44 7.659 13.491 3.691 1.00 0.00 C ATOM 1326 OE1 GLU C 44 7.646 12.961 4.820 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.510 14.338 3.349 1.00 0.00 O ATOM 0 H GLU C 44 6.421 9.450 1.647 1.00 0.00 H new ATOM 0 HA GLU C 44 4.831 11.742 1.346 1.00 0.00 H new ATOM 0 HB2 GLU C 44 6.926 11.001 2.845 1.00 0.00 H new ATOM 0 HB3 GLU C 44 7.835 11.784 1.568 1.00 0.00 H new ATOM 0 HG2 GLU C 44 6.534 13.859 1.916 1.00 0.00 H new ATOM 0 HG3 GLU C 44 5.626 13.075 3.194 1.00 0.00 H new ATOM 1334 N HIS C 45 6.947 11.196 -1.090 1.00 0.00 N ATOM 1335 CA HIS C 45 7.324 11.600 -2.431 1.00 0.00 C ATOM 1336 C HIS C 45 6.157 11.476 -3.410 1.00 0.00 C ATOM 1337 O HIS C 45 5.881 12.402 -4.172 1.00 0.00 O ATOM 1338 CB HIS C 45 8.501 10.756 -2.909 1.00 0.00 C ATOM 1339 CG HIS C 45 9.846 11.352 -2.619 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.852 11.433 -3.559 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.358 11.878 -1.481 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.921 11.981 -3.010 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.646 12.261 -1.752 1.00 0.00 N ATOM 0 H HIS C 45 7.372 10.320 -0.786 1.00 0.00 H new ATOM 0 HA HIS C 45 7.614 12.650 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.443 9.774 -2.440 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.409 10.601 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.846 11.977 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.861 12.168 -3.508 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.288 12.693 -1.087 1.00 0.00 H new ATOM 1352 N ILE C 46 5.468 10.335 -3.388 1.00 0.00 N ATOM 1353 CA ILE C 46 4.391 10.078 -4.327 1.00 0.00 C ATOM 1354 C ILE C 46 3.137 10.871 -3.958 1.00 0.00 C ATOM 1355 O ILE C 46 2.252 11.048 -4.796 1.00 0.00 O ATOM 1356 CB ILE C 46 4.041 8.579 -4.388 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.348 8.120 -3.112 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.288 7.746 -4.616 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.859 6.691 -3.184 1.00 0.00 C ATOM 0 H ILE C 46 5.641 9.577 -2.727 1.00 0.00 H new ATOM 0 HA ILE C 46 4.744 10.398 -5.307 1.00 0.00 H new ATOM 0 HB ILE C 46 3.357 8.438 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.039 8.220 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.503 8.777 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.018 6.691 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.753 8.037 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE C 46 5.990 7.911 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.375 6.424 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.145 6.592 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.705 6.025 -3.358 1.00 0.00 H new ATOM 1371 N ALA C 47 3.094 11.358 -2.713 1.00 0.00 N ATOM 1372 CA ALA C 47 1.954 12.082 -2.166 1.00 0.00 C ATOM 1373 C ALA C 47 1.307 13.045 -3.156 1.00 0.00 C ATOM 1374 O ALA C 47 0.141 12.881 -3.500 1.00 0.00 O ATOM 1375 CB ALA C 47 2.392 12.845 -0.927 1.00 0.00 C ATOM 0 H ALA C 47 3.864 11.256 -2.052 1.00 0.00 H new ATOM 0 HA ALA C 47 1.197 11.337 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.542 13.388 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.770 12.144 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.179 13.551 -1.194 1.00 0.00 H new ATOM 1381 N ALA C 48 2.048 14.026 -3.632 1.00 0.00 N ATOM 1382 CA ALA C 48 1.453 15.059 -4.469 1.00 0.00 C ATOM 1383 C ALA C 48 1.041 14.532 -5.833 1.00 0.00 C ATOM 1384 O ALA C 48 -0.011 14.903 -6.348 1.00 0.00 O ATOM 1385 CB ALA C 48 2.393 16.216 -4.645 1.00 0.00 C ATOM 0 H ALA C 48 3.048 14.133 -3.460 1.00 0.00 H new ATOM 0 HA ALA C 48 0.555 15.395 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.924 16.973 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.626 16.647 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.312 15.870 -5.118 1.00 0.00 H new ATOM 1391 N SER C 49 1.858 13.664 -6.413 1.00 0.00 N ATOM 1392 CA SER C 49 1.605 13.142 -7.723 1.00 0.00 C ATOM 1393 C SER C 49 0.334 12.300 -7.735 1.00 0.00 C ATOM 1394 O SER C 49 -0.330 12.165 -8.760 1.00 0.00 O ATOM 1395 CB SER C 49 2.809 12.315 -8.119 1.00 0.00 C ATOM 1396 OG SER C 49 3.577 11.965 -6.978 1.00 0.00 O ATOM 0 H SER C 49 2.710 13.310 -5.979 1.00 0.00 H new ATOM 0 HA SER C 49 1.452 13.953 -8.435 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.482 11.412 -8.634 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.426 12.876 -8.821 1.00 0.00 H new ATOM 0 HG SER C 49 3.002 11.520 -6.321 1.00 0.00 H new ATOM 1402 N VAL C 50 0.007 11.737 -6.580 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.194 10.933 -6.438 1.00 0.00 C ATOM 1404 C VAL C 50 -2.276 11.702 -5.691 1.00 0.00 C ATOM 1405 O VAL C 50 -3.364 11.173 -5.475 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.897 9.599 -5.723 1.00 0.00 C ATOM 1407 CG1 VAL C 50 0.173 8.829 -6.482 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.473 9.825 -4.279 1.00 0.00 C ATOM 0 H VAL C 50 0.560 11.824 -5.727 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.556 10.706 -7.441 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.814 9.010 -5.707 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.376 7.888 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.176 8.623 -7.494 1.00 0.00 H new ATOM 0 HG13 VAL C 50 1.086 9.423 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.271 8.865 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.428 10.437 -4.256 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.272 10.335 -3.741 1.00 0.00 H new ATOM 1418 N SER C 51 -1.953 12.942 -5.286 1.00 0.00 N ATOM 1419 CA SER C 51 -2.887 13.848 -4.615 1.00 0.00 C ATOM 1420 C SER C 51 -3.256 13.292 -3.258 1.00 0.00 C ATOM 1421 O SER C 51 -4.269 13.665 -2.661 1.00 0.00 O ATOM 1422 CB SER C 51 -4.144 14.138 -5.459 1.00 0.00 C ATOM 1423 OG SER C 51 -5.040 13.038 -5.508 1.00 0.00 O ATOM 0 H SER C 51 -1.025 13.343 -5.419 1.00 0.00 H new ATOM 0 HA SER C 51 -2.382 14.805 -4.485 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.661 15.004 -5.046 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.842 14.401 -6.473 1.00 0.00 H new ATOM 0 HG SER C 51 -4.576 12.225 -5.219 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.410 12.401 -2.769 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.636 11.781 -1.493 1.00 0.00 C ATOM 1431 C ILE C 52 -1.403 11.887 -0.607 1.00 0.00 C ATOM 1432 O ILE C 52 -0.392 11.244 -0.872 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.990 10.292 -1.603 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.113 10.045 -2.609 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.407 9.809 -0.226 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.485 10.270 -2.020 1.00 0.00 C ATOM 0 H ILE C 52 -1.561 12.096 -3.245 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.480 12.318 -1.060 1.00 0.00 H new ATOM 0 HB ILE C 52 -2.119 9.744 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.978 10.704 -3.467 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -4.045 9.022 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.665 8.751 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.583 9.950 0.474 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -4.273 10.378 0.113 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.243 10.080 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.636 9.592 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.568 11.300 -1.675 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.485 12.655 0.478 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.377 12.818 1.404 1.00 0.00 C ATOM 1450 C PRO C 53 -0.111 11.540 2.174 1.00 0.00 C ATOM 1451 O PRO C 53 -1.025 10.790 2.477 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.825 13.910 2.353 1.00 0.00 C ATOM 1453 CG PRO C 53 -2.142 14.412 1.858 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.677 13.384 0.907 1.00 0.00 C ATOM 0 HA PRO C 53 0.548 13.064 0.883 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.917 13.524 3.368 1.00 0.00 H new ATOM 0 HB3 PRO C 53 -0.093 14.717 2.384 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.832 14.565 2.688 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -2.025 15.374 1.359 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.396 12.725 1.393 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.189 13.847 0.063 1.00 0.00 H new ATOM 1462 N SER C 54 1.158 11.318 2.482 1.00 0.00 N ATOM 1463 CA SER C 54 1.629 10.111 3.160 1.00 0.00 C ATOM 1464 C SER C 54 0.846 9.821 4.443 1.00 0.00 C ATOM 1465 O SER C 54 0.755 8.669 4.868 1.00 0.00 O ATOM 1466 CB SER C 54 3.127 10.242 3.471 1.00 0.00 C ATOM 1467 OG SER C 54 3.622 9.107 4.163 1.00 0.00 O ATOM 0 H SER C 54 1.904 11.979 2.266 1.00 0.00 H new ATOM 0 HA SER C 54 1.463 9.270 2.487 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.681 10.371 2.541 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.297 11.136 4.071 1.00 0.00 H new ATOM 0 HG SER C 54 4.578 9.225 4.343 1.00 0.00 H new ATOM 1473 N GLU C 55 0.282 10.861 5.051 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.483 10.700 6.283 1.00 0.00 C ATOM 1475 C GLU C 55 -1.896 10.189 5.998 1.00 0.00 C ATOM 1476 O GLU C 55 -2.524 9.570 6.854 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.536 12.014 7.050 1.00 0.00 C ATOM 1478 CG GLU C 55 -1.172 13.110 6.270 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.230 14.419 7.021 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.273 15.214 6.914 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -2.233 14.663 7.723 1.00 0.00 O ATOM 0 H GLU C 55 0.340 11.821 4.712 1.00 0.00 H new ATOM 0 HA GLU C 55 0.023 9.955 6.897 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -1.089 11.866 7.978 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.476 12.310 7.326 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.619 13.255 5.342 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -2.184 12.811 5.995 1.00 0.00 H new ATOM 1488 N LYS C 56 -2.386 10.442 4.791 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.720 10.004 4.398 1.00 0.00 C ATOM 1490 C LYS C 56 -3.629 8.836 3.424 1.00 0.00 C ATOM 1491 O LYS C 56 -4.610 8.133 3.189 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.495 11.144 3.731 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.610 12.407 4.572 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.391 13.494 3.843 1.00 0.00 C ATOM 1495 CE LYS C 56 -6.859 13.128 3.680 1.00 0.00 C ATOM 1496 NZ LYS C 56 -7.582 14.096 2.815 1.00 0.00 N ATOM 0 H LYS C 56 -1.879 10.949 4.066 1.00 0.00 H new ATOM 0 HA LYS C 56 -4.245 9.692 5.301 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -4.009 11.394 2.788 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.498 10.792 3.489 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.103 12.174 5.515 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.613 12.775 4.816 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -5.310 14.431 4.394 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -4.948 13.663 2.861 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.938 12.129 3.251 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -7.335 13.092 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -8.578 13.809 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.529 15.045 3.237 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.145 14.112 1.871 1.00 0.00 H new ATOM 1510 N GLN C 57 -2.449 8.645 2.854 1.00 0.00 N ATOM 1511 CA GLN C 57 -2.252 7.645 1.821 1.00 0.00 C ATOM 1512 C GLN C 57 -1.921 6.296 2.435 1.00 0.00 C ATOM 1513 O GLN C 57 -1.306 6.215 3.505 1.00 0.00 O ATOM 1514 CB GLN C 57 -1.125 8.066 0.857 1.00 0.00 C ATOM 1515 CG GLN C 57 0.196 7.369 1.096 1.00 0.00 C ATOM 1516 CD GLN C 57 1.243 7.674 0.042 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.049 6.813 -0.280 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.269 8.893 -0.488 1.00 0.00 N ATOM 0 H GLN C 57 -1.610 9.174 3.093 1.00 0.00 H new ATOM 0 HA GLN C 57 -3.182 7.560 1.259 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -1.446 7.869 -0.166 1.00 0.00 H new ATOM 0 HB3 GLN C 57 -0.974 9.142 0.942 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.580 7.662 2.073 1.00 0.00 H new ATOM 0 HG3 GLN C 57 0.029 6.292 1.129 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.583 9.590 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN C 57 1.975 9.131 -1.184 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.331 5.246 1.756 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.959 3.888 2.145 1.00 0.00 C ATOM 1529 C ARG C 58 -1.627 3.055 0.922 1.00 0.00 C ATOM 1530 O ARG C 58 -2.364 3.075 -0.064 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.072 3.210 2.947 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.214 3.757 4.352 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.213 2.968 5.176 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.269 3.464 6.549 1.00 0.00 N ATOM 1535 CZ ARG C 58 -4.981 2.899 7.522 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -5.675 1.795 7.292 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -4.975 3.429 8.738 1.00 0.00 N ATOM 0 H ARG C 58 -2.924 5.299 0.928 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.076 3.961 2.780 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.018 3.333 2.419 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -2.873 2.140 2.999 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.243 3.739 4.847 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.528 4.800 4.304 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -5.201 3.037 4.720 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -3.936 1.914 5.178 1.00 0.00 H new ATOM 0 HE ARG C 58 -3.727 4.298 6.777 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -5.667 1.371 6.364 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -6.218 1.368 8.043 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -4.426 4.268 8.926 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -5.520 2.998 9.485 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.502 2.346 0.970 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.131 1.461 -0.102 1.00 0.00 C ATOM 1553 C LEU C 59 -0.685 0.069 0.161 1.00 0.00 C ATOM 1554 O LEU C 59 -0.235 -0.609 1.068 1.00 0.00 O ATOM 1555 CB LEU C 59 1.378 1.392 -0.156 1.00 0.00 C ATOM 1556 CG LEU C 59 2.108 2.724 -0.310 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.602 2.524 -0.118 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.821 3.335 -1.673 1.00 0.00 C ATOM 0 H LEU C 59 0.161 2.375 1.745 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.533 1.831 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.732 0.911 0.756 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.662 0.747 -0.988 1.00 0.00 H new ATOM 0 HG LEU C 59 1.747 3.412 0.454 1.00 0.00 H new ATOM 0 HD11 LEU C 59 4.114 3.480 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.791 2.125 0.879 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.974 1.823 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.350 4.284 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU C 59 2.158 2.655 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.749 3.505 -1.777 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.666 -0.360 -0.599 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.181 -1.709 -0.424 1.00 0.00 C ATOM 1572 C ILE C 60 -1.738 -2.617 -1.553 1.00 0.00 C ATOM 1573 O ILE C 60 -2.135 -2.436 -2.704 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.710 -1.750 -0.360 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.236 -0.640 0.534 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.169 -3.111 0.160 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.695 -0.352 0.303 1.00 0.00 C ATOM 0 H ILE C 60 -2.119 0.187 -1.331 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.775 -2.057 0.526 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.108 -1.599 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.085 -0.917 1.577 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.658 0.267 0.358 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.258 -3.135 0.204 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -3.815 -3.895 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.762 -3.275 1.158 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.018 0.449 0.968 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -5.846 -0.047 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.280 -1.249 0.506 1.00 0.00 H new ATOM 1589 N TYR C 61 -0.917 -3.593 -1.226 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.568 -4.620 -2.181 1.00 0.00 C ATOM 1591 C TYR C 61 -1.038 -5.971 -1.661 1.00 0.00 C ATOM 1592 O TYR C 61 -0.747 -6.331 -0.521 1.00 0.00 O ATOM 1593 CB TYR C 61 0.933 -4.636 -2.479 1.00 0.00 C ATOM 1594 CG TYR C 61 1.274 -5.696 -3.488 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.715 -5.643 -4.750 1.00 0.00 C ATOM 1596 CD2 TYR C 61 2.097 -6.768 -3.176 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.961 -6.617 -5.682 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.343 -7.760 -4.104 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.772 -7.679 -5.358 1.00 0.00 C ATOM 1600 OH TYR C 61 1.998 -8.672 -6.281 1.00 0.00 O ATOM 0 H TYR C 61 -0.481 -3.696 -0.310 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.070 -4.401 -3.123 1.00 0.00 H new ATOM 0 HB2 TYR C 61 1.243 -3.660 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.488 -4.815 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR C 61 0.070 -4.816 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.550 -6.827 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.520 -6.551 -6.666 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.979 -8.595 -3.850 1.00 0.00 H new ATOM 0 HH TYR C 61 1.510 -8.469 -7.106 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.787 -6.692 -2.509 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.429 -7.969 -2.159 1.00 0.00 C ATOM 1612 C GLN C 62 -3.034 -7.947 -0.755 1.00 0.00 C ATOM 1613 O GLN C 62 -2.837 -8.867 0.042 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.480 -9.167 -2.340 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.135 -9.018 -1.659 1.00 0.00 C ATOM 1616 CD GLN C 62 0.732 -10.262 -1.762 1.00 0.00 C ATOM 1617 OE1 GLN C 62 0.104 -11.429 -1.791 1.00 0.00 O flip ATOM 1618 NE2 GLN C 62 1.959 -10.174 -1.804 1.00 0.00 N flip ATOM 0 H GLN C 62 -1.966 -6.401 -3.470 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.251 -8.099 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -1.969 -10.062 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.317 -9.326 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN C 62 0.397 -8.175 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.293 -8.779 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN C 62 2.406 -9.257 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN C 62 2.529 -11.018 -1.863 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.762 -6.874 -0.462 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.494 -6.777 0.786 1.00 0.00 C ATOM 1629 C GLY C 63 -3.614 -6.489 1.988 1.00 0.00 C ATOM 1630 O GLY C 63 -4.085 -6.508 3.125 1.00 0.00 O ATOM 0 H GLY C 63 -3.858 -6.063 -1.074 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.243 -5.990 0.698 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.031 -7.710 0.955 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.336 -6.245 1.750 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.422 -5.871 2.816 1.00 0.00 C ATOM 1636 C ARG C 64 -1.232 -4.363 2.810 1.00 0.00 C ATOM 1637 O ARG C 64 -1.043 -3.763 1.751 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.066 -6.564 2.650 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.117 -8.088 2.696 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.578 -8.613 4.050 1.00 0.00 C ATOM 1641 NE ARG C 64 -2.037 -8.709 4.152 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.665 -9.583 4.942 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -1.966 -10.370 5.754 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -3.991 -9.656 4.937 1.00 0.00 N ATOM 0 H ARG C 64 -1.907 -6.299 0.826 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.850 -6.188 3.767 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.369 -6.258 1.699 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.604 -6.213 3.435 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.792 -8.450 1.920 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.871 -8.489 2.471 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.140 -9.596 4.222 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.205 -7.956 4.836 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.603 -8.074 3.589 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -0.948 -10.307 5.774 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -2.448 -11.037 6.357 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.533 -9.043 4.328 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -4.467 -10.325 5.542 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.286 -3.757 3.985 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.177 -2.312 4.093 1.00 0.00 C ATOM 1660 C VAL C 65 0.288 -1.915 4.231 1.00 0.00 C ATOM 1661 O VAL C 65 0.827 -1.840 5.341 1.00 0.00 O ATOM 1662 CB VAL C 65 -1.966 -1.766 5.305 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.331 -0.304 5.100 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.212 -2.593 5.557 1.00 0.00 C ATOM 0 H VAL C 65 -1.404 -4.242 4.875 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.603 -1.881 3.187 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.323 -1.839 6.182 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -2.886 0.057 5.966 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.422 0.285 4.980 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -2.948 -0.205 4.207 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.750 -2.189 6.415 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.855 -2.560 4.677 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.928 -3.626 5.760 1.00 0.00 H new ATOM 1674 N LEU C 66 0.930 -1.682 3.098 1.00 0.00 N ATOM 1675 CA LEU C 66 2.311 -1.236 3.075 1.00 0.00 C ATOM 1676 C LEU C 66 2.341 0.223 3.498 1.00 0.00 C ATOM 1677 O LEU C 66 1.559 1.037 3.001 1.00 0.00 O ATOM 1678 CB LEU C 66 2.932 -1.372 1.679 1.00 0.00 C ATOM 1679 CG LEU C 66 2.198 -2.272 0.680 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.883 -2.192 -0.666 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.150 -3.716 1.155 1.00 0.00 C ATOM 0 H LEU C 66 0.511 -1.796 2.175 1.00 0.00 H new ATOM 0 HA LEU C 66 2.893 -1.859 3.755 1.00 0.00 H new ATOM 0 HB2 LEU C 66 3.011 -0.376 1.244 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.948 -1.751 1.795 1.00 0.00 H new ATOM 0 HG LEU C 66 1.170 -1.919 0.595 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.362 -2.832 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.865 -1.162 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.917 -2.524 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.622 -4.323 0.420 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.165 -4.093 1.275 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.628 -3.767 2.111 1.00 0.00 H new ATOM 1693 N GLN C 67 3.223 0.566 4.407 1.00 0.00 N ATOM 1694 CA GLN C 67 3.189 1.890 4.992 1.00 0.00 C ATOM 1695 C GLN C 67 4.602 2.402 5.286 1.00 0.00 C ATOM 1696 O GLN C 67 5.575 1.659 5.184 1.00 0.00 O ATOM 1697 CB GLN C 67 2.364 1.837 6.278 1.00 0.00 C ATOM 1698 CG GLN C 67 2.772 0.701 7.199 1.00 0.00 C ATOM 1699 CD GLN C 67 1.768 0.454 8.303 1.00 0.00 C ATOM 1700 OE1 GLN C 67 1.869 1.020 9.390 1.00 0.00 O ATOM 1701 NE2 GLN C 67 0.790 -0.392 8.029 1.00 0.00 N ATOM 0 H GLN C 67 3.964 -0.042 4.755 1.00 0.00 H new ATOM 0 HA GLN C 67 2.732 2.582 4.284 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.468 2.783 6.809 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.310 1.729 6.023 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.893 -0.210 6.613 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.743 0.928 7.640 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.744 -0.840 7.114 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.081 -0.597 8.733 1.00 0.00 H new ATOM 1710 N ASP C 68 4.683 3.669 5.691 1.00 0.00 N ATOM 1711 CA ASP C 68 5.940 4.372 5.915 1.00 0.00 C ATOM 1712 C ASP C 68 6.691 3.876 7.148 1.00 0.00 C ATOM 1713 O ASP C 68 7.775 4.362 7.450 1.00 0.00 O ATOM 1714 CB ASP C 68 5.687 5.877 6.053 1.00 0.00 C ATOM 1715 CG ASP C 68 4.648 6.201 7.102 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.442 6.045 6.813 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.028 6.616 8.212 1.00 0.00 O ATOM 0 H ASP C 68 3.861 4.243 5.875 1.00 0.00 H new ATOM 0 HA ASP C 68 6.565 4.168 5.046 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.622 6.376 6.307 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.363 6.276 5.092 1.00 0.00 H new ATOM 1722 N ASP C 69 6.111 2.943 7.879 1.00 0.00 N ATOM 1723 CA ASP C 69 6.734 2.457 9.106 1.00 0.00 C ATOM 1724 C ASP C 69 7.778 1.376 8.818 1.00 0.00 C ATOM 1725 O ASP C 69 8.629 1.085 9.658 1.00 0.00 O ATOM 1726 CB ASP C 69 5.670 1.915 10.060 1.00 0.00 C ATOM 1727 CG ASP C 69 6.244 1.493 11.401 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.600 2.382 12.205 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.322 0.274 11.667 1.00 0.00 O ATOM 0 H ASP C 69 5.217 2.507 7.652 1.00 0.00 H new ATOM 0 HA ASP C 69 7.244 3.299 9.574 1.00 0.00 H new ATOM 0 HB2 ASP C 69 4.909 2.678 10.220 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.174 1.062 9.597 1.00 0.00 H new ATOM 1734 N LYS C 70 7.748 0.816 7.615 1.00 0.00 N ATOM 1735 CA LYS C 70 8.550 -0.370 7.320 1.00 0.00 C ATOM 1736 C LYS C 70 9.495 -0.129 6.146 1.00 0.00 C ATOM 1737 O LYS C 70 9.939 0.997 5.919 1.00 0.00 O ATOM 1738 CB LYS C 70 7.642 -1.564 7.024 1.00 0.00 C ATOM 1739 CG LYS C 70 6.626 -1.856 8.117 1.00 0.00 C ATOM 1740 CD LYS C 70 6.279 -3.337 8.169 1.00 0.00 C ATOM 1741 CE LYS C 70 7.130 -4.089 9.187 1.00 0.00 C ATOM 1742 NZ LYS C 70 8.583 -3.787 9.067 1.00 0.00 N ATOM 0 H LYS C 70 7.186 1.157 6.835 1.00 0.00 H new ATOM 0 HA LYS C 70 9.155 -0.588 8.200 1.00 0.00 H new ATOM 0 HB2 LYS C 70 7.112 -1.381 6.089 1.00 0.00 H new ATOM 0 HB3 LYS C 70 8.261 -2.448 6.872 1.00 0.00 H new ATOM 0 HG2 LYS C 70 7.025 -1.540 9.081 1.00 0.00 H new ATOM 0 HG3 LYS C 70 5.721 -1.274 7.940 1.00 0.00 H new ATOM 0 HD2 LYS C 70 5.225 -3.454 8.421 1.00 0.00 H new ATOM 0 HD3 LYS C 70 6.421 -3.777 7.182 1.00 0.00 H new ATOM 0 HE2 LYS C 70 6.794 -3.835 10.192 1.00 0.00 H new ATOM 0 HE3 LYS C 70 6.976 -5.161 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 9.130 -4.497 9.594 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 8.861 -3.810 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 8.775 -2.843 9.458 1.00 0.00 H new ATOM 1756 N LYS C 71 9.830 -1.200 5.426 1.00 0.00 N ATOM 1757 CA LYS C 71 10.746 -1.110 4.300 1.00 0.00 C ATOM 1758 C LYS C 71 10.135 -1.680 3.025 1.00 0.00 C ATOM 1759 O LYS C 71 9.308 -2.588 3.077 1.00 0.00 O ATOM 1760 CB LYS C 71 12.056 -1.830 4.615 1.00 0.00 C ATOM 1761 CG LYS C 71 12.810 -1.244 5.794 1.00 0.00 C ATOM 1762 CD LYS C 71 14.080 -2.022 6.076 1.00 0.00 C ATOM 1763 CE LYS C 71 14.847 -1.428 7.242 1.00 0.00 C ATOM 1764 NZ LYS C 71 16.072 -2.208 7.548 1.00 0.00 N ATOM 0 H LYS C 71 9.477 -2.140 5.607 1.00 0.00 H new ATOM 0 HA LYS C 71 10.948 -0.052 4.132 1.00 0.00 H new ATOM 0 HB2 LYS C 71 11.843 -2.880 4.818 1.00 0.00 H new ATOM 0 HB3 LYS C 71 12.697 -1.799 3.734 1.00 0.00 H new ATOM 0 HG2 LYS C 71 13.057 -0.202 5.589 1.00 0.00 H new ATOM 0 HG3 LYS C 71 12.172 -1.253 6.678 1.00 0.00 H new ATOM 0 HD2 LYS C 71 13.831 -3.061 6.294 1.00 0.00 H new ATOM 0 HD3 LYS C 71 14.711 -2.025 5.187 1.00 0.00 H new ATOM 0 HE2 LYS C 71 15.120 -0.398 7.011 1.00 0.00 H new ATOM 0 HE3 LYS C 71 14.205 -1.398 8.122 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 16.570 -1.772 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 15.810 -3.184 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 16.696 -2.215 6.716 1.00 0.00 H new ATOM 1778 N LEU C 72 10.565 -1.154 1.888 1.00 0.00 N ATOM 1779 CA LEU C 72 10.006 -1.529 0.588 1.00 0.00 C ATOM 1780 C LEU C 72 10.107 -3.028 0.310 1.00 0.00 C ATOM 1781 O LEU C 72 9.105 -3.682 0.006 1.00 0.00 O ATOM 1782 CB LEU C 72 10.731 -0.768 -0.518 1.00 0.00 C ATOM 1783 CG LEU C 72 10.473 0.739 -0.548 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.567 1.455 -1.317 1.00 0.00 C ATOM 1785 CD2 LEU C 72 9.119 1.027 -1.178 1.00 0.00 C ATOM 0 H LEU C 72 11.308 -0.457 1.835 1.00 0.00 H new ATOM 0 HA LEU C 72 8.948 -1.270 0.610 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.803 -0.935 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU C 72 10.438 -1.190 -1.479 1.00 0.00 H new ATOM 0 HG LEU C 72 10.473 1.108 0.478 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.364 2.526 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.528 1.272 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.596 1.082 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.947 2.103 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU C 72 9.103 0.642 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.336 0.543 -0.595 1.00 0.00 H new ATOM 1797 N GLN C 73 11.313 -3.575 0.431 1.00 0.00 N ATOM 1798 CA GLN C 73 11.564 -4.950 -0.002 1.00 0.00 C ATOM 1799 C GLN C 73 10.907 -5.959 0.930 1.00 0.00 C ATOM 1800 O GLN C 73 10.766 -7.133 0.586 1.00 0.00 O ATOM 1801 CB GLN C 73 13.036 -5.229 -0.118 1.00 0.00 C ATOM 1802 CG GLN C 73 13.363 -6.502 -0.882 1.00 0.00 C ATOM 1803 CD GLN C 73 14.852 -6.705 -1.068 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.658 -6.273 -0.246 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.227 -7.355 -2.158 1.00 0.00 N ATOM 0 H GLN C 73 12.125 -3.096 0.820 1.00 0.00 H new ATOM 0 HA GLN C 73 11.116 -5.059 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN C 73 13.518 -4.386 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.463 -5.298 0.883 1.00 0.00 H new ATOM 0 HG2 GLN C 73 12.947 -7.357 -0.349 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.880 -6.469 -1.859 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.525 -7.697 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.218 -7.514 -2.342 1.00 0.00 H new ATOM 1814 N GLU C 74 10.487 -5.498 2.104 1.00 0.00 N ATOM 1815 CA GLU C 74 9.725 -6.342 3.013 1.00 0.00 C ATOM 1816 C GLU C 74 8.410 -6.731 2.366 1.00 0.00 C ATOM 1817 O GLU C 74 7.861 -7.798 2.638 1.00 0.00 O ATOM 1818 CB GLU C 74 9.444 -5.637 4.337 1.00 0.00 C ATOM 1819 CG GLU C 74 10.679 -5.369 5.172 1.00 0.00 C ATOM 1820 CD GLU C 74 10.326 -4.884 6.563 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.872 -3.732 6.702 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.470 -5.668 7.526 1.00 0.00 O ATOM 0 H GLU C 74 10.660 -4.552 2.445 1.00 0.00 H new ATOM 0 HA GLU C 74 10.322 -7.230 3.221 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.945 -4.690 4.133 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.750 -6.244 4.919 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.273 -6.280 5.245 1.00 0.00 H new ATOM 0 HG3 GLU C 74 11.299 -4.624 4.674 1.00 0.00 H new ATOM 1829 N TYR C 75 7.910 -5.861 1.497 1.00 0.00 N ATOM 1830 CA TYR C 75 6.656 -6.117 0.823 1.00 0.00 C ATOM 1831 C TYR C 75 6.933 -6.776 -0.520 1.00 0.00 C ATOM 1832 O TYR C 75 6.067 -7.439 -1.092 1.00 0.00 O ATOM 1833 CB TYR C 75 5.880 -4.815 0.628 1.00 0.00 C ATOM 1834 CG TYR C 75 5.644 -4.031 1.906 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.769 -4.495 2.882 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.279 -2.815 2.126 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.530 -3.769 4.032 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.051 -2.087 3.279 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.173 -2.568 4.225 1.00 0.00 C ATOM 1840 OH TYR C 75 4.921 -1.836 5.362 1.00 0.00 O ATOM 0 H TYR C 75 8.356 -4.978 1.247 1.00 0.00 H new ATOM 0 HA TYR C 75 6.049 -6.785 1.434 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.423 -4.184 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.916 -5.045 0.173 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.267 -5.440 2.738 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.963 -2.432 1.383 1.00 0.00 H new ATOM 0 HE1 TYR C 75 3.842 -4.142 4.776 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.558 -1.147 3.437 1.00 0.00 H new ATOM 0 HH TYR C 75 4.690 -2.442 6.097 1.00 0.00 H new ATOM 1850 N ASN C 76 8.166 -6.585 -1.000 1.00 0.00 N ATOM 1851 CA ASN C 76 8.619 -7.138 -2.276 1.00 0.00 C ATOM 1852 C ASN C 76 7.657 -6.758 -3.397 1.00 0.00 C ATOM 1853 O ASN C 76 7.166 -7.607 -4.142 1.00 0.00 O ATOM 1854 CB ASN C 76 8.787 -8.663 -2.187 1.00 0.00 C ATOM 1855 CG ASN C 76 9.469 -9.241 -3.416 1.00 0.00 C ATOM 1856 OD1 ASN C 76 10.246 -8.560 -4.086 1.00 0.00 O ATOM 1857 ND2 ASN C 76 9.197 -10.502 -3.713 1.00 0.00 N ATOM 0 H ASN C 76 8.878 -6.041 -0.512 1.00 0.00 H new ATOM 0 HA ASN C 76 9.595 -6.709 -2.505 1.00 0.00 H new ATOM 0 HB2 ASN C 76 9.370 -8.911 -1.300 1.00 0.00 H new ATOM 0 HB3 ASN C 76 7.809 -9.128 -2.065 1.00 0.00 H new ATOM 0 HD21 ASN C 76 9.637 -10.942 -4.521 1.00 0.00 H new ATOM 0 HD22 ASN C 76 8.548 -11.034 -3.133 1.00 0.00 H new ATOM 1864 N VAL C 77 7.380 -5.466 -3.498 1.00 0.00 N ATOM 1865 CA VAL C 77 6.455 -4.959 -4.511 1.00 0.00 C ATOM 1866 C VAL C 77 7.197 -4.530 -5.775 1.00 0.00 C ATOM 1867 O VAL C 77 6.681 -3.767 -6.592 1.00 0.00 O ATOM 1868 CB VAL C 77 5.625 -3.776 -3.976 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.706 -4.243 -2.861 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.529 -2.653 -3.487 1.00 0.00 C ATOM 0 H VAL C 77 7.780 -4.748 -2.894 1.00 0.00 H new ATOM 0 HA VAL C 77 5.779 -5.777 -4.758 1.00 0.00 H new ATOM 0 HB VAL C 77 5.017 -3.387 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL C 77 4.125 -3.398 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL C 77 4.031 -5.009 -3.243 1.00 0.00 H new ATOM 0 HG13 VAL C 77 5.302 -4.657 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.918 -1.830 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL C 77 7.167 -3.023 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL C 77 7.149 -2.300 -4.311 1.00 0.00 H new ATOM 1880 N GLY C 78 8.410 -5.035 -5.932 1.00 0.00 N ATOM 1881 CA GLY C 78 9.208 -4.717 -7.074 1.00 0.00 C ATOM 1882 C GLY C 78 8.739 -5.429 -8.286 1.00 0.00 C ATOM 1883 O GLY C 78 8.954 -6.625 -8.474 1.00 0.00 O ATOM 0 H GLY C 78 8.854 -5.671 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.179 -3.642 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY C 78 10.247 -4.980 -6.877 1.00 0.00 H new ATOM 1887 N GLY C 79 8.064 -4.673 -9.070 1.00 0.00 N ATOM 1888 CA GLY C 79 7.574 -5.147 -10.341 1.00 0.00 C ATOM 1889 C GLY C 79 6.143 -5.644 -10.252 1.00 0.00 C ATOM 1890 O GLY C 79 5.654 -6.332 -11.149 1.00 0.00 O ATOM 0 H GLY C 79 7.827 -3.703 -8.862 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.633 -4.343 -11.074 1.00 0.00 H new ATOM 0 HA3 GLY C 79 8.215 -5.952 -10.699 1.00 0.00 H new ATOM 1894 N LYS C 80 5.482 -5.292 -9.159 1.00 0.00 N ATOM 1895 CA LYS C 80 4.084 -5.644 -8.932 1.00 0.00 C ATOM 1896 C LYS C 80 3.284 -4.360 -8.690 1.00 0.00 C ATOM 1897 O LYS C 80 3.806 -3.441 -8.058 1.00 0.00 O ATOM 1898 CB LYS C 80 3.994 -6.560 -7.707 1.00 0.00 C ATOM 1899 CG LYS C 80 4.972 -7.730 -7.731 1.00 0.00 C ATOM 1900 CD LYS C 80 4.980 -8.468 -6.401 1.00 0.00 C ATOM 1901 CE LYS C 80 5.917 -9.663 -6.417 1.00 0.00 C ATOM 1902 NZ LYS C 80 5.883 -10.406 -5.129 1.00 0.00 N ATOM 0 H LYS C 80 5.900 -4.752 -8.401 1.00 0.00 H new ATOM 0 HA LYS C 80 3.676 -6.164 -9.799 1.00 0.00 H new ATOM 0 HB2 LYS C 80 4.175 -5.968 -6.810 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.979 -6.950 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS C 80 4.699 -8.419 -8.530 1.00 0.00 H new ATOM 0 HG3 LYS C 80 5.975 -7.365 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS C 80 5.280 -7.783 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.970 -8.803 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS C 80 5.639 -10.333 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS C 80 6.934 -9.325 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.428 -11.287 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.300 -9.819 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 4.898 -10.632 -4.885 1.00 0.00 H new ATOM 1916 N VAL C 81 2.042 -4.263 -9.188 1.00 0.00 N ATOM 1917 CA VAL C 81 1.279 -3.032 -8.972 1.00 0.00 C ATOM 1918 C VAL C 81 0.610 -3.011 -7.605 1.00 0.00 C ATOM 1919 O VAL C 81 -0.007 -3.984 -7.160 1.00 0.00 O ATOM 1920 CB VAL C 81 0.202 -2.689 -10.025 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.708 -2.637 -11.447 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -0.961 -3.607 -9.934 1.00 0.00 C ATOM 0 H VAL C 81 1.564 -4.990 -9.720 1.00 0.00 H new ATOM 0 HA VAL C 81 2.054 -2.271 -9.059 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.111 -1.675 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.115 -2.390 -12.117 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.484 -1.876 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL C 81 1.121 -3.608 -11.722 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -1.698 -3.336 -10.689 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -0.630 -4.632 -10.102 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.410 -3.528 -8.944 1.00 0.00 H new ATOM 1932 N ILE C 82 0.751 -1.879 -6.945 1.00 0.00 N ATOM 1933 CA ILE C 82 0.105 -1.633 -5.679 1.00 0.00 C ATOM 1934 C ILE C 82 -1.236 -0.945 -5.923 1.00 0.00 C ATOM 1935 O ILE C 82 -1.544 -0.590 -7.048 1.00 0.00 O ATOM 1936 CB ILE C 82 1.012 -0.772 -4.767 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.382 -1.380 -4.686 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.438 -0.601 -3.372 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.332 -0.637 -3.776 1.00 0.00 C ATOM 0 H ILE C 82 1.321 -1.101 -7.277 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.071 -2.581 -5.171 1.00 0.00 H new ATOM 0 HB ILE C 82 1.072 0.220 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE C 82 2.292 -2.409 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.811 -1.419 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE C 82 1.113 0.011 -2.773 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.534 -0.112 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.323 -1.578 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.299 -1.139 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.455 0.385 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.928 -0.620 -2.764 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.058 -0.818 -4.901 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.288 -0.048 -5.008 1.00 0.00 C ATOM 1953 C HIS C 83 -3.248 1.111 -4.025 1.00 0.00 C ATOM 1954 O HIS C 83 -3.208 0.901 -2.812 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.503 -0.938 -4.723 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.743 -1.980 -5.774 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.317 -3.287 -5.651 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.369 -1.905 -6.972 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.670 -3.965 -6.726 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.307 -3.152 -7.541 1.00 0.00 N ATOM 0 H HIS C 83 -1.899 -1.237 -3.985 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.376 0.341 -6.022 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.365 -1.430 -3.760 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.390 -0.311 -4.636 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.831 -1.028 -7.400 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.470 -5.011 -6.907 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.693 -3.408 -8.450 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.222 2.325 -4.546 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.212 3.505 -3.705 1.00 0.00 C ATOM 1971 C LEU C 84 -4.620 3.984 -3.390 1.00 0.00 C ATOM 1972 O LEU C 84 -5.509 3.970 -4.244 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.433 4.622 -4.377 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.222 5.118 -3.601 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.499 6.191 -4.387 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.650 5.642 -2.246 1.00 0.00 C ATOM 0 H LEU C 84 -3.207 2.518 -5.548 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.729 3.233 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.102 4.276 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.106 5.462 -4.547 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.535 4.285 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.365 6.537 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -0.167 5.782 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.174 7.028 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -0.775 5.994 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -2.351 6.466 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -2.132 4.843 -1.683 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.787 4.428 -2.159 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.073 4.896 -1.648 1.00 0.00 C ATOM 1990 C VAL C 85 -5.870 5.937 -0.550 1.00 0.00 C ATOM 1991 O VAL C 85 -4.749 6.145 -0.073 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.915 3.747 -1.050 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.394 2.782 -2.124 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.121 3.011 0.016 1.00 0.00 C ATOM 0 H VAL C 85 -4.031 4.477 -1.475 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.600 5.326 -2.500 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.799 4.188 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.982 1.988 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.010 3.318 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.533 2.347 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -6.727 2.204 0.429 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.216 2.595 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -5.850 3.705 0.812 1.00 0.00 H new