USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot -75:sc= -0.666 USER MOD Set 2.1: A 33 HIS : no HE2:sc= -2.29 K(o=-1.2,f=-5.2) USER MOD Set 2.2: A 51 SER OG : rot -92:sc= 1.04 USER MOD Single : A 13 TYR OH : rot 69:sc= 0.694! USER MOD Single : A 15 ASN : amide:sc= -0.21 K(o=-0.21,f=-2.8!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -55:sc= 0.081 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 35:sc= 0.486 USER MOD Single : A 27 CYS SG : rot -71:sc= -0.217 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.0229 X(o=0.023,f=-0.039) USER MOD Single : A 35 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.0076) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 92:sc= -3.27! USER MOD Single : A 65 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-1) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-3.1!) USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.226 (180deg=-1.52) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0.607 (180deg=0.607) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 132:sc= -1.65 (180deg=-3.28!) USER MOD Single : A 91 HIS : no HD1:sc= -0.0972 X(o=-0.097,f=-0.037) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 56:sc= 0.0817 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -3.342 -10.927 7.032 1.00 0.00 N ATOM 137 CA TYR A 13 -2.613 -11.532 5.923 1.00 0.00 C ATOM 138 C TYR A 13 -3.273 -11.195 4.590 1.00 0.00 C ATOM 139 O TYR A 13 -4.299 -11.772 4.228 1.00 0.00 O ATOM 140 CB TYR A 13 -2.541 -13.049 6.100 1.00 0.00 C ATOM 141 CG TYR A 13 -1.771 -13.480 7.329 1.00 0.00 C ATOM 142 CD1 TYR A 13 -0.385 -13.582 7.303 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.429 -13.785 8.514 1.00 0.00 C ATOM 144 CE1 TYR A 13 0.322 -13.975 8.423 1.00 0.00 C ATOM 145 CE2 TYR A 13 -1.729 -14.178 9.638 1.00 0.00 C ATOM 146 CZ TYR A 13 -0.354 -14.272 9.588 1.00 0.00 C ATOM 147 OH TYR A 13 0.346 -14.664 10.706 1.00 0.00 O ATOM 0 HA TYR A 13 -1.602 -11.125 5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.554 -13.448 6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.075 -13.488 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.148 -13.350 6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.506 -13.714 8.557 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.399 -14.049 8.386 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.256 -14.411 10.552 1.00 0.00 H new ATOM 0 HH TYR A 13 0.861 -13.905 11.052 1.00 0.00 H new ATOM 157 N LEU A 14 -2.676 -10.257 3.862 1.00 0.00 N ATOM 158 CA LEU A 14 -3.204 -9.842 2.567 1.00 0.00 C ATOM 159 C LEU A 14 -2.368 -10.417 1.429 1.00 0.00 C ATOM 160 O LEU A 14 -1.206 -10.773 1.618 1.00 0.00 O ATOM 161 CB LEU A 14 -3.235 -8.316 2.472 1.00 0.00 C ATOM 162 CG LEU A 14 -4.443 -7.627 3.108 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.314 -6.116 3.000 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.732 -8.103 2.455 1.00 0.00 C ATOM 0 H LEU A 14 -1.826 -9.770 4.147 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.220 -10.226 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.331 -7.925 2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.196 -8.037 1.419 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.475 -7.893 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.183 -5.643 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.410 -5.790 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.257 -5.830 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.582 -7.603 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.710 -7.867 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.830 -9.181 2.586 1.00 0.00 H new ATOM 176 N ASN A 15 -2.968 -10.504 0.246 1.00 0.00 N ATOM 177 CA ASN A 15 -2.278 -11.034 -0.924 1.00 0.00 C ATOM 178 C ASN A 15 -1.740 -9.905 -1.797 1.00 0.00 C ATOM 179 O ASN A 15 -2.502 -9.195 -2.453 1.00 0.00 O ATOM 180 CB ASN A 15 -3.221 -11.920 -1.741 1.00 0.00 C ATOM 181 CG ASN A 15 -3.294 -13.336 -1.205 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.389 -13.795 -0.506 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.373 -14.038 -1.531 1.00 0.00 N ATOM 0 H ASN A 15 -3.930 -10.214 0.073 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.436 -11.633 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.219 -11.482 -1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.885 -11.944 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.477 -14.997 -1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.098 -13.618 -2.112 1.00 0.00 H new ATOM 190 N VAL A 16 -0.420 -9.744 -1.799 1.00 0.00 N ATOM 191 CA VAL A 16 0.221 -8.702 -2.593 1.00 0.00 C ATOM 192 C VAL A 16 0.719 -9.253 -3.924 1.00 0.00 C ATOM 193 O VAL A 16 1.657 -10.050 -3.967 1.00 0.00 O ATOM 194 CB VAL A 16 1.405 -8.069 -1.836 1.00 0.00 C ATOM 195 CG1 VAL A 16 1.956 -6.879 -2.607 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.982 -7.658 -0.434 1.00 0.00 C ATOM 0 H VAL A 16 0.226 -10.321 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.533 -7.937 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 16 2.197 -8.812 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.791 -6.445 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.299 -7.208 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.173 -6.130 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.830 -7.213 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.173 -6.931 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.640 -8.535 0.115 1.00 0.00 H new ATOM 206 N LEU A 17 0.086 -8.822 -5.010 1.00 0.00 N ATOM 207 CA LEU A 17 0.465 -9.272 -6.345 1.00 0.00 C ATOM 208 C LEU A 17 1.966 -9.115 -6.567 1.00 0.00 C ATOM 209 O LEU A 17 2.533 -8.052 -6.315 1.00 0.00 O ATOM 210 CB LEU A 17 -0.304 -8.485 -7.407 1.00 0.00 C ATOM 211 CG LEU A 17 -0.179 -8.995 -8.843 1.00 0.00 C ATOM 212 CD1 LEU A 17 -0.990 -10.267 -9.030 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.624 -7.925 -9.830 1.00 0.00 C ATOM 0 H LEU A 17 -0.691 -8.162 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 17 0.212 -10.329 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.359 -8.482 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.035 -7.450 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 17 0.869 -9.225 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.889 -10.615 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.624 -11.035 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.040 -10.064 -8.817 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.528 -8.306 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.664 -7.662 -9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.001 -7.040 -9.713 1.00 0.00 H new ATOM 225 N VAL A 18 2.603 -10.180 -7.043 1.00 0.00 N ATOM 226 CA VAL A 18 4.038 -10.159 -7.302 1.00 0.00 C ATOM 227 C VAL A 18 4.371 -10.876 -8.606 1.00 0.00 C ATOM 228 O VAL A 18 4.134 -12.075 -8.745 1.00 0.00 O ATOM 229 CB VAL A 18 4.826 -10.816 -6.153 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.309 -10.873 -6.486 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.592 -10.066 -4.850 1.00 0.00 C ATOM 0 H VAL A 18 2.148 -11.068 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 18 4.330 -9.112 -7.381 1.00 0.00 H new ATOM 0 HB VAL A 18 4.467 -11.838 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.849 -11.340 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.456 -11.457 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.686 -9.862 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.156 -10.544 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.922 -9.033 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.530 -10.083 -4.606 1.00 0.00 H new ATOM 241 N ASN A 19 4.921 -10.131 -9.560 1.00 0.00 N ATOM 242 CA ASN A 19 5.287 -10.695 -10.854 1.00 0.00 C ATOM 243 C ASN A 19 4.122 -11.474 -11.457 1.00 0.00 C ATOM 244 O ASN A 19 4.290 -12.599 -11.927 1.00 0.00 O ATOM 245 CB ASN A 19 6.505 -11.610 -10.709 1.00 0.00 C ATOM 246 CG ASN A 19 7.813 -10.864 -10.889 1.00 0.00 C ATOM 247 OD1 ASN A 19 8.536 -11.081 -11.862 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.123 -9.979 -9.949 1.00 0.00 N ATOM 0 H ASN A 19 5.123 -9.136 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 19 5.536 -9.872 -11.523 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.489 -12.078 -9.725 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.443 -12.412 -11.444 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.990 -9.446 -10.016 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.494 -9.832 -9.160 1.00 0.00 H new ATOM 255 N SER A 20 2.940 -10.866 -11.441 1.00 0.00 N ATOM 256 CA SER A 20 1.745 -11.503 -11.983 1.00 0.00 C ATOM 257 C SER A 20 1.434 -12.797 -11.238 1.00 0.00 C ATOM 258 O SER A 20 1.022 -13.788 -11.841 1.00 0.00 O ATOM 259 CB SER A 20 1.927 -11.790 -13.475 1.00 0.00 C ATOM 260 OG SER A 20 0.679 -12.016 -14.107 1.00 0.00 O ATOM 0 H SER A 20 2.784 -9.933 -11.059 1.00 0.00 H new ATOM 0 HA SER A 20 0.907 -10.819 -11.852 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.432 -10.950 -13.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.567 -12.662 -13.605 1.00 0.00 H new ATOM 0 HG SER A 20 0.199 -12.730 -13.637 1.00 0.00 H new ATOM 266 N GLN A 21 1.634 -12.779 -9.924 1.00 0.00 N ATOM 267 CA GLN A 21 1.375 -13.951 -9.096 1.00 0.00 C ATOM 268 C GLN A 21 0.970 -13.541 -7.684 1.00 0.00 C ATOM 269 O GLN A 21 1.699 -12.819 -7.004 1.00 0.00 O ATOM 270 CB GLN A 21 2.613 -14.848 -9.045 1.00 0.00 C ATOM 271 CG GLN A 21 2.799 -15.701 -10.289 1.00 0.00 C ATOM 272 CD GLN A 21 4.128 -16.430 -10.303 1.00 0.00 C ATOM 273 OE1 GLN A 21 5.186 -15.815 -10.435 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.080 -17.750 -10.167 1.00 0.00 N ATOM 0 H GLN A 21 1.974 -11.966 -9.410 1.00 0.00 H new ATOM 0 HA GLN A 21 0.551 -14.507 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.497 -14.225 -8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.543 -15.500 -8.175 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.989 -16.428 -10.351 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.727 -15.068 -11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.181 -18.219 -10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.942 -18.295 -10.169 1.00 0.00 H new ATOM 283 N TRP A 22 -0.196 -14.006 -7.251 1.00 0.00 N ATOM 284 CA TRP A 22 -0.699 -13.687 -5.919 1.00 0.00 C ATOM 285 C TRP A 22 0.002 -14.528 -4.858 1.00 0.00 C ATOM 286 O TRP A 22 -0.193 -15.741 -4.783 1.00 0.00 O ATOM 287 CB TRP A 22 -2.210 -13.916 -5.853 1.00 0.00 C ATOM 288 CG TRP A 22 -2.986 -13.030 -6.781 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.434 -13.346 -8.031 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.402 -11.683 -6.531 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.104 -12.276 -8.574 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.099 -11.244 -7.674 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.255 -10.806 -5.453 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.646 -9.967 -7.766 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.798 -9.539 -5.547 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.487 -9.129 -6.696 1.00 0.00 C ATOM 0 H TRP A 22 -0.811 -14.605 -7.802 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.490 -12.636 -5.720 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.423 -14.958 -6.093 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.552 -13.748 -4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.284 -14.297 -8.521 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.535 -12.254 -9.498 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.727 -11.113 -4.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.177 -9.649 -8.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.689 -8.853 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.901 -8.132 -6.738 1.00 0.00 H new ATOM 307 N LYS A 23 0.819 -13.876 -4.037 1.00 0.00 N ATOM 308 CA LYS A 23 1.548 -14.563 -2.977 1.00 0.00 C ATOM 309 C LYS A 23 1.140 -14.035 -1.606 1.00 0.00 C ATOM 310 O LYS A 23 0.850 -12.850 -1.447 1.00 0.00 O ATOM 311 CB LYS A 23 3.056 -14.391 -3.174 1.00 0.00 C ATOM 312 CG LYS A 23 3.560 -14.919 -4.505 1.00 0.00 C ATOM 313 CD LYS A 23 5.074 -15.045 -4.518 1.00 0.00 C ATOM 314 CE LYS A 23 5.645 -14.761 -5.899 1.00 0.00 C ATOM 315 NZ LYS A 23 7.099 -15.077 -5.974 1.00 0.00 N ATOM 0 H LYS A 23 0.993 -12.872 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 23 1.300 -15.623 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.306 -13.333 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.580 -14.904 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.111 -15.892 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.243 -14.251 -5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.504 -14.351 -3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.359 -16.049 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.107 -15.349 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.488 -13.711 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.450 -14.870 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.616 -14.498 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.247 -16.084 -5.761 1.00 0.00 H new ATOM 329 N SER A 24 1.120 -14.923 -0.617 1.00 0.00 N ATOM 330 CA SER A 24 0.746 -14.547 0.741 1.00 0.00 C ATOM 331 C SER A 24 1.747 -13.556 1.327 1.00 0.00 C ATOM 332 O SER A 24 2.936 -13.854 1.443 1.00 0.00 O ATOM 333 CB SER A 24 0.659 -15.789 1.631 1.00 0.00 C ATOM 334 OG SER A 24 1.910 -16.450 1.707 1.00 0.00 O ATOM 0 H SER A 24 1.359 -15.908 -0.731 1.00 0.00 H new ATOM 0 HA SER A 24 -0.232 -14.067 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.335 -15.502 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.093 -16.472 1.236 1.00 0.00 H new ATOM 0 HG SER A 24 2.632 -15.787 1.689 1.00 0.00 H new ATOM 340 N ARG A 25 1.258 -12.377 1.693 1.00 0.00 N ATOM 341 CA ARG A 25 2.109 -11.340 2.265 1.00 0.00 C ATOM 342 C ARG A 25 1.425 -10.670 3.453 1.00 0.00 C ATOM 343 O ARG A 25 0.198 -10.657 3.549 1.00 0.00 O ATOM 344 CB ARG A 25 2.456 -10.293 1.205 1.00 0.00 C ATOM 345 CG ARG A 25 3.532 -9.315 1.646 1.00 0.00 C ATOM 346 CD ARG A 25 4.925 -9.899 1.466 1.00 0.00 C ATOM 347 NE ARG A 25 5.478 -9.599 0.149 1.00 0.00 N ATOM 348 CZ ARG A 25 6.411 -10.337 -0.442 1.00 0.00 C ATOM 349 NH1 ARG A 25 6.893 -11.413 0.165 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.865 -9.999 -1.642 1.00 0.00 N ATOM 0 H ARG A 25 0.276 -12.115 1.604 1.00 0.00 H new ATOM 0 HA ARG A 25 3.028 -11.811 2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.787 -10.801 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.555 -9.737 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.446 -8.394 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.379 -9.052 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.587 -9.502 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.886 -10.979 1.605 1.00 0.00 H new ATOM 0 HE ARG A 25 5.129 -8.778 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.547 -11.676 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.609 -11.978 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.498 -9.172 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.581 -10.567 -2.095 1.00 0.00 H new ATOM 364 N TRP A 26 2.227 -10.115 4.354 1.00 0.00 N ATOM 365 CA TRP A 26 1.699 -9.443 5.536 1.00 0.00 C ATOM 366 C TRP A 26 1.827 -7.929 5.405 1.00 0.00 C ATOM 367 O TRP A 26 2.921 -7.376 5.532 1.00 0.00 O ATOM 368 CB TRP A 26 2.432 -9.922 6.791 1.00 0.00 C ATOM 369 CG TRP A 26 1.775 -9.486 8.065 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.176 -8.283 8.309 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.653 -10.249 9.271 1.00 0.00 C ATOM 372 NE1 TRP A 26 0.689 -8.252 9.593 1.00 0.00 N ATOM 373 CE2 TRP A 26 0.968 -9.446 10.204 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.055 -11.532 9.653 1.00 0.00 C ATOM 375 CZ2 TRP A 26 0.678 -9.886 11.493 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.766 -11.967 10.932 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.083 -11.146 11.839 1.00 0.00 C ATOM 0 H TRP A 26 3.245 -10.117 4.289 1.00 0.00 H new ATOM 0 HA TRP A 26 0.642 -9.693 5.623 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.492 -11.010 6.775 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.455 -9.546 6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.097 -7.475 7.597 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.199 -7.467 10.022 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.582 -12.172 8.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.152 -9.255 12.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.072 -12.957 11.238 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.872 -11.516 12.832 1.00 0.00 H new ATOM 388 N CYS A 27 0.706 -7.265 5.150 1.00 0.00 N ATOM 389 CA CYS A 27 0.694 -5.814 5.001 1.00 0.00 C ATOM 390 C CYS A 27 0.506 -5.130 6.351 1.00 0.00 C ATOM 391 O CYS A 27 -0.300 -5.567 7.173 1.00 0.00 O ATOM 392 CB CYS A 27 -0.418 -5.388 4.041 1.00 0.00 C ATOM 393 SG CYS A 27 -0.302 -6.137 2.399 1.00 0.00 S ATOM 0 H CYS A 27 -0.207 -7.708 5.042 1.00 0.00 H new ATOM 0 HA CYS A 27 1.656 -5.508 4.590 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.381 -5.647 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.397 -4.303 3.936 1.00 0.00 H new ATOM 0 HG CYS A 27 0.702 -5.620 1.756 1.00 0.00 H new ATOM 399 N SER A 28 1.256 -4.056 6.574 1.00 0.00 N ATOM 400 CA SER A 28 1.176 -3.314 7.827 1.00 0.00 C ATOM 401 C SER A 28 1.251 -1.811 7.575 1.00 0.00 C ATOM 402 O SER A 28 2.242 -1.308 7.046 1.00 0.00 O ATOM 403 CB SER A 28 2.302 -3.741 8.770 1.00 0.00 C ATOM 404 OG SER A 28 1.909 -3.613 10.125 1.00 0.00 O ATOM 0 H SER A 28 1.926 -3.680 5.903 1.00 0.00 H new ATOM 0 HA SER A 28 0.217 -3.539 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.580 -4.775 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.186 -3.131 8.585 1.00 0.00 H new ATOM 0 HG SER A 28 2.646 -3.894 10.707 1.00 0.00 H new ATOM 410 N VAL A 29 0.196 -1.100 7.958 1.00 0.00 N ATOM 411 CA VAL A 29 0.141 0.346 7.775 1.00 0.00 C ATOM 412 C VAL A 29 0.243 1.073 9.112 1.00 0.00 C ATOM 413 O VAL A 29 -0.288 0.613 10.122 1.00 0.00 O ATOM 414 CB VAL A 29 -1.159 0.773 7.069 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.278 2.290 7.041 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.213 0.200 5.661 1.00 0.00 C ATOM 0 H VAL A 29 -0.633 -1.501 8.397 1.00 0.00 H new ATOM 0 HA VAL A 29 0.991 0.619 7.150 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.005 0.376 7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.203 2.573 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.288 2.673 8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.429 2.712 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.138 0.512 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.362 0.565 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.178 -0.888 5.709 1.00 0.00 H new ATOM 426 N ARG A 30 0.929 2.212 9.108 1.00 0.00 N ATOM 427 CA ARG A 30 1.101 3.003 10.321 1.00 0.00 C ATOM 428 C ARG A 30 0.318 4.310 10.233 1.00 0.00 C ATOM 429 O ARG A 30 -0.685 4.492 10.923 1.00 0.00 O ATOM 430 CB ARG A 30 2.583 3.299 10.555 1.00 0.00 C ATOM 431 CG ARG A 30 2.912 3.662 11.994 1.00 0.00 C ATOM 432 CD ARG A 30 2.981 2.427 12.879 1.00 0.00 C ATOM 433 NE ARG A 30 4.184 1.639 12.625 1.00 0.00 N ATOM 434 CZ ARG A 30 4.288 0.345 12.907 1.00 0.00 C ATOM 435 NH1 ARG A 30 3.266 -0.303 13.450 1.00 0.00 N ATOM 436 NH2 ARG A 30 5.416 -0.304 12.647 1.00 0.00 N ATOM 0 H ARG A 30 1.374 2.607 8.280 1.00 0.00 H new ATOM 0 HA ARG A 30 0.716 2.424 11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.169 2.426 10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.888 4.118 9.904 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.865 4.189 12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.156 4.346 12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.960 2.730 13.926 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.100 1.809 12.708 1.00 0.00 H new ATOM 0 HE ARG A 30 4.988 2.108 12.208 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.397 0.192 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.349 -1.297 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.205 0.191 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.494 -1.298 12.864 1.00 0.00 H new ATOM 450 N ASP A 31 0.784 5.216 9.380 1.00 0.00 N ATOM 451 CA ASP A 31 0.127 6.506 9.202 1.00 0.00 C ATOM 452 C ASP A 31 -0.204 6.748 7.733 1.00 0.00 C ATOM 453 O ASP A 31 -1.369 6.721 7.337 1.00 0.00 O ATOM 454 CB ASP A 31 1.018 7.633 9.729 1.00 0.00 C ATOM 455 CG ASP A 31 1.027 7.703 11.243 1.00 0.00 C ATOM 456 OD1 ASP A 31 1.567 6.772 11.876 1.00 0.00 O ATOM 457 OD2 ASP A 31 0.494 8.688 11.795 1.00 0.00 O ATOM 0 H ASP A 31 1.613 5.081 8.802 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.804 6.494 9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.036 7.486 9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.672 8.585 9.326 1.00 0.00 H new ATOM 462 N ASN A 32 0.828 6.986 6.930 1.00 0.00 N ATOM 463 CA ASN A 32 0.645 7.235 5.504 1.00 0.00 C ATOM 464 C ASN A 32 1.613 6.394 4.677 1.00 0.00 C ATOM 465 O ASN A 32 2.144 6.853 3.666 1.00 0.00 O ATOM 466 CB ASN A 32 0.849 8.719 5.194 1.00 0.00 C ATOM 467 CG ASN A 32 0.014 9.616 6.088 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.549 10.380 6.891 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.303 9.526 5.952 1.00 0.00 N ATOM 0 H ASN A 32 1.799 7.012 7.242 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.374 6.952 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.903 8.971 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.592 8.908 4.152 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.916 10.105 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.702 8.878 5.273 1.00 0.00 H new ATOM 476 N HIS A 33 1.838 5.158 5.114 1.00 0.00 N ATOM 477 CA HIS A 33 2.740 4.252 4.414 1.00 0.00 C ATOM 478 C HIS A 33 2.318 2.800 4.617 1.00 0.00 C ATOM 479 O HIS A 33 1.804 2.434 5.675 1.00 0.00 O ATOM 480 CB HIS A 33 4.176 4.451 4.901 1.00 0.00 C ATOM 481 CG HIS A 33 4.840 5.665 4.330 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.604 6.942 4.795 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.739 5.793 3.326 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.328 7.802 4.101 1.00 0.00 C ATOM 485 NE2 HIS A 33 6.025 7.130 3.203 1.00 0.00 N ATOM 0 H HIS A 33 1.408 4.762 5.950 1.00 0.00 H new ATOM 0 HA HIS A 33 2.690 4.481 3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.175 4.525 5.988 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.764 3.570 4.642 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.970 7.184 5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.154 4.992 2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.347 8.872 4.244 1.00 0.00 H new ATOM 494 N LEU A 34 2.537 1.977 3.597 1.00 0.00 N ATOM 495 CA LEU A 34 2.179 0.565 3.663 1.00 0.00 C ATOM 496 C LEU A 34 3.424 -0.315 3.639 1.00 0.00 C ATOM 497 O LEU A 34 4.065 -0.475 2.600 1.00 0.00 O ATOM 498 CB LEU A 34 1.259 0.197 2.497 1.00 0.00 C ATOM 499 CG LEU A 34 1.193 -1.288 2.137 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.970 -2.130 3.383 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.093 -1.540 1.116 1.00 0.00 C ATOM 0 H LEU A 34 2.961 2.264 2.715 1.00 0.00 H new ATOM 0 HA LEU A 34 1.653 0.393 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.251 0.538 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.584 0.750 1.616 1.00 0.00 H new ATOM 0 HG LEU A 34 2.146 -1.578 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.926 -3.184 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.792 -1.972 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.032 -1.839 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.060 -2.602 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.867 -1.234 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.297 -0.965 0.212 1.00 0.00 H new ATOM 513 N HIS A 35 3.762 -0.885 4.792 1.00 0.00 N ATOM 514 CA HIS A 35 4.930 -1.752 4.903 1.00 0.00 C ATOM 515 C HIS A 35 4.570 -3.195 4.561 1.00 0.00 C ATOM 516 O HIS A 35 3.404 -3.585 4.617 1.00 0.00 O ATOM 517 CB HIS A 35 5.512 -1.680 6.315 1.00 0.00 C ATOM 518 CG HIS A 35 5.854 -0.289 6.752 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.149 0.176 6.839 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.060 0.742 7.126 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.137 1.432 7.249 1.00 0.00 C ATOM 522 NE2 HIS A 35 5.881 1.799 7.430 1.00 0.00 N ATOM 0 H HIS A 35 3.244 -0.762 5.662 1.00 0.00 H new ATOM 0 HA HIS A 35 5.679 -1.405 4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.795 -2.106 7.017 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.409 -2.297 6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.981 0.734 7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.006 2.053 7.409 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.572 2.719 7.745 1.00 0.00 H new ATOM 531 N PHE A 36 5.580 -3.982 4.205 1.00 0.00 N ATOM 532 CA PHE A 36 5.370 -5.382 3.852 1.00 0.00 C ATOM 533 C PHE A 36 6.304 -6.289 4.647 1.00 0.00 C ATOM 534 O PHE A 36 7.484 -5.984 4.821 1.00 0.00 O ATOM 535 CB PHE A 36 5.591 -5.590 2.353 1.00 0.00 C ATOM 536 CG PHE A 36 4.612 -4.843 1.493 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.878 -3.546 1.083 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.426 -5.437 1.094 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.980 -2.856 0.291 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.524 -4.753 0.302 1.00 0.00 C ATOM 541 CZ PHE A 36 2.800 -3.460 -0.099 1.00 0.00 C ATOM 0 H PHE A 36 6.551 -3.675 4.153 1.00 0.00 H new ATOM 0 HA PHE A 36 4.341 -5.644 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.602 -5.275 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.522 -6.654 2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.798 -3.069 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.204 -6.447 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.200 -1.846 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.604 -5.229 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.095 -2.923 -0.716 1.00 0.00 H new ATOM 551 N TYR A 37 5.768 -7.406 5.127 1.00 0.00 N ATOM 552 CA TYR A 37 6.552 -8.357 5.905 1.00 0.00 C ATOM 553 C TYR A 37 6.238 -9.791 5.490 1.00 0.00 C ATOM 554 O TYR A 37 5.193 -10.062 4.900 1.00 0.00 O ATOM 555 CB TYR A 37 6.277 -8.175 7.399 1.00 0.00 C ATOM 556 CG TYR A 37 6.523 -6.767 7.893 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.549 -5.784 7.764 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.729 -6.420 8.489 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.770 -4.497 8.213 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.959 -5.135 8.942 1.00 0.00 C ATOM 561 CZ TYR A 37 6.976 -4.177 8.801 1.00 0.00 C ATOM 562 OH TYR A 37 7.200 -2.896 9.251 1.00 0.00 O ATOM 0 H TYR A 37 4.794 -7.675 4.991 1.00 0.00 H new ATOM 0 HA TYR A 37 7.607 -8.164 5.710 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.242 -8.448 7.605 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.906 -8.864 7.962 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.603 -6.031 7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.500 -7.168 8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.003 -3.745 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.902 -4.882 9.403 1.00 0.00 H new ATOM 0 HH TYR A 37 8.098 -2.838 9.640 1.00 0.00 H new ATOM 572 N GLN A 38 7.151 -10.704 5.804 1.00 0.00 N ATOM 573 CA GLN A 38 6.972 -12.111 5.464 1.00 0.00 C ATOM 574 C GLN A 38 6.844 -12.963 6.722 1.00 0.00 C ATOM 575 O GLN A 38 5.883 -13.718 6.877 1.00 0.00 O ATOM 576 CB GLN A 38 8.145 -12.606 4.616 1.00 0.00 C ATOM 577 CG GLN A 38 8.330 -11.830 3.322 1.00 0.00 C ATOM 578 CD GLN A 38 9.366 -12.455 2.409 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.109 -13.472 1.764 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.546 -11.850 2.350 1.00 0.00 N ATOM 0 H GLN A 38 8.022 -10.495 6.293 1.00 0.00 H new ATOM 0 HA GLN A 38 6.051 -12.205 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.061 -12.540 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.993 -13.659 4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.376 -11.773 2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.627 -10.807 3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.716 -11.009 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.283 -12.226 1.753 1.00 0.00 H new ATOM 712 N ALA A 46 9.618 -7.988 3.680 1.00 0.00 N ATOM 713 CA ALA A 46 9.399 -8.422 2.306 1.00 0.00 C ATOM 714 C ALA A 46 10.068 -7.473 1.318 1.00 0.00 C ATOM 715 O ALA A 46 10.868 -7.895 0.484 1.00 0.00 O ATOM 716 CB ALA A 46 7.909 -8.525 2.016 1.00 0.00 C ATOM 0 HA ALA A 46 9.850 -9.407 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.760 -8.850 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.456 -9.248 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.442 -7.551 2.160 1.00 0.00 H new ATOM 722 N GLN A 47 9.734 -6.190 1.418 1.00 0.00 N ATOM 723 CA GLN A 47 10.302 -5.182 0.531 1.00 0.00 C ATOM 724 C GLN A 47 10.100 -3.781 1.099 1.00 0.00 C ATOM 725 O GLN A 47 9.370 -3.596 2.072 1.00 0.00 O ATOM 726 CB GLN A 47 9.668 -5.279 -0.858 1.00 0.00 C ATOM 727 CG GLN A 47 8.152 -5.164 -0.844 1.00 0.00 C ATOM 728 CD GLN A 47 7.579 -4.824 -2.205 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.287 -4.846 -3.213 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.291 -4.505 -2.243 1.00 0.00 N ATOM 0 H GLN A 47 9.073 -5.825 2.104 1.00 0.00 H new ATOM 0 HA GLN A 47 11.373 -5.369 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.078 -4.492 -1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.948 -6.230 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.723 -6.105 -0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.856 -4.397 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.741 -4.499 -1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.851 -4.266 -3.131 1.00 0.00 H new ATOM 739 N GLN A 48 10.753 -2.800 0.485 1.00 0.00 N ATOM 740 CA GLN A 48 10.645 -1.416 0.931 1.00 0.00 C ATOM 741 C GLN A 48 9.189 -1.034 1.176 1.00 0.00 C ATOM 742 O GLN A 48 8.270 -1.561 0.549 1.00 0.00 O ATOM 743 CB GLN A 48 11.263 -0.474 -0.104 1.00 0.00 C ATOM 744 CG GLN A 48 12.768 -0.316 0.040 1.00 0.00 C ATOM 745 CD GLN A 48 13.441 0.079 -1.260 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.275 1.200 -1.743 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.206 -0.841 -1.835 1.00 0.00 N ATOM 0 H GLN A 48 11.362 -2.937 -0.322 1.00 0.00 H new ATOM 0 HA GLN A 48 11.190 -1.321 1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.039 -0.848 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.793 0.506 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.979 0.438 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.195 -1.254 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.316 -1.757 -1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.684 -0.632 -2.711 1.00 0.00 H new ATOM 756 N PRO A 49 8.971 -0.097 2.111 1.00 0.00 N ATOM 757 CA PRO A 49 7.629 0.376 2.461 1.00 0.00 C ATOM 758 C PRO A 49 6.996 1.201 1.345 1.00 0.00 C ATOM 759 O PRO A 49 7.684 1.663 0.434 1.00 0.00 O ATOM 760 CB PRO A 49 7.869 1.244 3.698 1.00 0.00 C ATOM 761 CG PRO A 49 9.283 1.697 3.574 1.00 0.00 C ATOM 762 CD PRO A 49 10.020 0.574 2.898 1.00 0.00 C ATOM 0 HA PRO A 49 6.938 -0.449 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.183 2.091 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.714 0.677 4.616 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.349 2.615 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.711 1.911 4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.824 0.946 2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.474 -0.102 3.622 1.00 0.00 H new ATOM 770 N LEU A 50 5.682 1.383 1.423 1.00 0.00 N ATOM 771 CA LEU A 50 4.956 2.154 0.420 1.00 0.00 C ATOM 772 C LEU A 50 4.513 3.501 0.984 1.00 0.00 C ATOM 773 O LEU A 50 4.353 3.656 2.194 1.00 0.00 O ATOM 774 CB LEU A 50 3.739 1.369 -0.073 1.00 0.00 C ATOM 775 CG LEU A 50 3.970 0.463 -1.282 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.715 -0.336 -1.598 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.400 1.283 -2.489 1.00 0.00 C ATOM 0 H LEU A 50 5.098 1.007 2.170 1.00 0.00 H new ATOM 0 HA LEU A 50 5.627 2.336 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.369 0.757 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.950 2.079 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 50 4.770 -0.237 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.898 -0.975 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.451 -0.953 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.895 0.347 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.560 0.621 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.622 2.007 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.326 1.810 -2.260 1.00 0.00 H new ATOM 789 N SER A 51 4.314 4.471 0.097 1.00 0.00 N ATOM 790 CA SER A 51 3.890 5.805 0.506 1.00 0.00 C ATOM 791 C SER A 51 2.495 6.119 -0.026 1.00 0.00 C ATOM 792 O SER A 51 2.345 6.698 -1.102 1.00 0.00 O ATOM 793 CB SER A 51 4.886 6.854 0.009 1.00 0.00 C ATOM 794 OG SER A 51 6.200 6.560 0.451 1.00 0.00 O ATOM 0 H SER A 51 4.440 4.358 -0.909 1.00 0.00 H new ATOM 0 HA SER A 51 3.859 5.831 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.865 6.892 -1.080 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.590 7.840 0.368 1.00 0.00 H new ATOM 0 HG SER A 51 6.371 7.022 1.298 1.00 0.00 H new ATOM 800 N LEU A 52 1.478 5.733 0.736 1.00 0.00 N ATOM 801 CA LEU A 52 0.094 5.972 0.343 1.00 0.00 C ATOM 802 C LEU A 52 -0.157 7.459 0.111 1.00 0.00 C ATOM 803 O LEU A 52 -0.874 7.842 -0.814 1.00 0.00 O ATOM 804 CB LEU A 52 -0.860 5.444 1.416 1.00 0.00 C ATOM 805 CG LEU A 52 -0.700 3.970 1.789 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.414 3.671 3.099 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.228 3.077 0.676 1.00 0.00 C ATOM 0 H LEU A 52 1.586 5.253 1.630 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.089 5.441 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.728 6.043 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.883 5.603 1.074 1.00 0.00 H new ATOM 0 HG LEU A 52 0.362 3.762 1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.290 2.617 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.989 4.285 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.475 3.896 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.106 2.032 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.285 3.287 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.672 3.272 -0.241 1.00 0.00 H new ATOM 819 N VAL A 53 0.441 8.294 0.955 1.00 0.00 N ATOM 820 CA VAL A 53 0.285 9.739 0.841 1.00 0.00 C ATOM 821 C VAL A 53 0.454 10.197 -0.604 1.00 0.00 C ATOM 822 O VAL A 53 1.567 10.238 -1.127 1.00 0.00 O ATOM 823 CB VAL A 53 1.301 10.485 1.726 1.00 0.00 C ATOM 824 CG1 VAL A 53 2.718 10.032 1.412 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.160 11.989 1.546 1.00 0.00 C ATOM 0 H VAL A 53 1.038 7.994 1.726 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.724 9.976 1.180 1.00 0.00 H new ATOM 0 HB VAL A 53 1.093 10.246 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.421 10.570 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.807 8.962 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.943 10.239 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.885 12.501 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.341 12.249 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.153 12.296 1.827 1.00 0.00 H new ATOM 835 N GLY A 54 -0.659 10.541 -1.244 1.00 0.00 N ATOM 836 CA GLY A 54 -0.612 10.992 -2.623 1.00 0.00 C ATOM 837 C GLY A 54 -1.251 10.003 -3.578 1.00 0.00 C ATOM 838 O GLY A 54 -1.866 10.397 -4.570 1.00 0.00 O ATOM 0 H GLY A 54 -1.592 10.516 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.120 11.953 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.426 11.155 -2.914 1.00 0.00 H new ATOM 842 N CYS A 55 -1.104 8.717 -3.281 1.00 0.00 N ATOM 843 CA CYS A 55 -1.669 7.668 -4.123 1.00 0.00 C ATOM 844 C CYS A 55 -3.182 7.584 -3.945 1.00 0.00 C ATOM 845 O CYS A 55 -3.756 8.277 -3.107 1.00 0.00 O ATOM 846 CB CYS A 55 -1.029 6.319 -3.792 1.00 0.00 C ATOM 847 SG CYS A 55 0.732 6.415 -3.394 1.00 0.00 S ATOM 0 H CYS A 55 -0.599 8.375 -2.464 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.457 7.917 -5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.558 5.876 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.163 5.648 -4.640 1.00 0.00 H new ATOM 0 HG CYS A 55 0.880 6.552 -2.110 1.00 0.00 H new ATOM 853 N GLU A 56 -3.820 6.732 -4.742 1.00 0.00 N ATOM 854 CA GLU A 56 -5.266 6.561 -4.673 1.00 0.00 C ATOM 855 C GLU A 56 -5.646 5.088 -4.799 1.00 0.00 C ATOM 856 O GLU A 56 -5.317 4.433 -5.789 1.00 0.00 O ATOM 857 CB GLU A 56 -5.951 7.372 -5.776 1.00 0.00 C ATOM 858 CG GLU A 56 -7.437 7.085 -5.909 1.00 0.00 C ATOM 859 CD GLU A 56 -8.152 8.102 -6.776 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.562 8.542 -7.785 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.303 8.458 -6.446 1.00 0.00 O ATOM 0 H GLU A 56 -3.359 6.151 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.603 6.924 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.811 8.434 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.462 7.161 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.575 6.091 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.891 7.074 -4.918 1.00 0.00 H new ATOM 868 N VAL A 57 -6.340 4.574 -3.789 1.00 0.00 N ATOM 869 CA VAL A 57 -6.765 3.179 -3.786 1.00 0.00 C ATOM 870 C VAL A 57 -8.116 3.015 -4.473 1.00 0.00 C ATOM 871 O VAL A 57 -9.114 3.603 -4.054 1.00 0.00 O ATOM 872 CB VAL A 57 -6.860 2.625 -2.352 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.197 1.142 -2.374 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.562 2.874 -1.598 1.00 0.00 C ATOM 0 H VAL A 57 -6.620 5.102 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.010 2.617 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.662 3.148 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.260 0.768 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.154 0.994 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.419 0.600 -2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.647 2.476 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.740 2.379 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.368 3.946 -1.551 1.00 0.00 H new ATOM 884 N VAL A 58 -8.142 2.212 -5.531 1.00 0.00 N ATOM 885 CA VAL A 58 -9.371 1.968 -6.277 1.00 0.00 C ATOM 886 C VAL A 58 -9.704 0.481 -6.318 1.00 0.00 C ATOM 887 O VAL A 58 -8.842 -0.367 -6.548 1.00 0.00 O ATOM 888 CB VAL A 58 -9.268 2.500 -7.719 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.668 3.966 -7.777 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.860 2.301 -8.260 1.00 0.00 C ATOM 0 H VAL A 58 -7.325 1.719 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.167 2.501 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.957 1.935 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.589 4.324 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.696 4.077 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.006 4.549 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.805 2.682 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.150 2.839 -7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.615 1.239 -8.256 1.00 0.00 H new ATOM 900 N PRO A 59 -10.984 0.155 -6.089 1.00 0.00 N ATOM 901 CA PRO A 59 -11.461 -1.232 -6.096 1.00 0.00 C ATOM 902 C PRO A 59 -11.453 -1.841 -7.493 1.00 0.00 C ATOM 903 O PRO A 59 -12.442 -1.759 -8.223 1.00 0.00 O ATOM 904 CB PRO A 59 -12.895 -1.116 -5.571 1.00 0.00 C ATOM 905 CG PRO A 59 -13.310 0.275 -5.906 1.00 0.00 C ATOM 906 CD PRO A 59 -12.066 1.114 -5.807 1.00 0.00 C ATOM 0 HA PRO A 59 -10.825 -1.885 -5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.550 -1.849 -6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.939 -1.294 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.735 0.325 -6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.076 0.630 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.075 1.933 -6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.960 1.560 -4.818 1.00 0.00 H new ATOM 914 N ASP A 60 -10.332 -2.452 -7.861 1.00 0.00 N ATOM 915 CA ASP A 60 -10.196 -3.077 -9.171 1.00 0.00 C ATOM 916 C ASP A 60 -10.253 -4.597 -9.057 1.00 0.00 C ATOM 917 O ASP A 60 -9.250 -5.294 -9.209 1.00 0.00 O ATOM 918 CB ASP A 60 -8.883 -2.652 -9.829 1.00 0.00 C ATOM 919 CG ASP A 60 -8.878 -2.897 -11.325 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.477 -4.003 -11.743 1.00 0.00 O ATOM 921 OD2 ASP A 60 -9.275 -1.983 -12.078 1.00 0.00 O ATOM 0 H ASP A 60 -9.504 -2.528 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.028 -2.746 -9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.710 -1.593 -9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.058 -3.198 -9.372 1.00 0.00 H new ATOM 926 N PRO A 61 -11.455 -5.126 -8.782 1.00 0.00 N ATOM 927 CA PRO A 61 -11.672 -6.569 -8.640 1.00 0.00 C ATOM 928 C PRO A 61 -11.542 -7.307 -9.968 1.00 0.00 C ATOM 929 O PRO A 61 -11.507 -6.689 -11.032 1.00 0.00 O ATOM 930 CB PRO A 61 -13.106 -6.662 -8.115 1.00 0.00 C ATOM 931 CG PRO A 61 -13.765 -5.412 -8.587 1.00 0.00 C ATOM 932 CD PRO A 61 -12.695 -4.355 -8.588 1.00 0.00 C ATOM 0 HA PRO A 61 -10.933 -7.030 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.612 -7.547 -8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.125 -6.733 -7.028 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.184 -5.544 -9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.589 -5.133 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.847 -3.630 -9.388 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.680 -3.798 -7.651 1.00 0.00 H new ATOM 940 N SER A 62 -11.471 -8.633 -9.898 1.00 0.00 N ATOM 941 CA SER A 62 -11.341 -9.455 -11.095 1.00 0.00 C ATOM 942 C SER A 62 -12.494 -10.450 -11.198 1.00 0.00 C ATOM 943 O SER A 62 -13.243 -10.672 -10.246 1.00 0.00 O ATOM 944 CB SER A 62 -10.007 -10.203 -11.084 1.00 0.00 C ATOM 945 OG SER A 62 -9.123 -9.655 -10.121 1.00 0.00 O ATOM 0 H SER A 62 -11.501 -9.160 -9.025 1.00 0.00 H new ATOM 0 HA SER A 62 -11.373 -8.797 -11.963 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.179 -11.257 -10.866 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.550 -10.152 -12.072 1.00 0.00 H new ATOM 0 HG SER A 62 -8.278 -10.152 -10.132 1.00 0.00 H new ATOM 951 N PRO A 63 -12.640 -11.065 -12.381 1.00 0.00 N ATOM 952 CA PRO A 63 -13.698 -12.047 -12.637 1.00 0.00 C ATOM 953 C PRO A 63 -13.476 -13.350 -11.877 1.00 0.00 C ATOM 954 O PRO A 63 -14.196 -14.328 -12.079 1.00 0.00 O ATOM 955 CB PRO A 63 -13.602 -12.286 -14.146 1.00 0.00 C ATOM 956 CG PRO A 63 -12.191 -11.955 -14.493 1.00 0.00 C ATOM 957 CD PRO A 63 -11.783 -10.850 -13.559 1.00 0.00 C ATOM 0 HA PRO A 63 -14.674 -11.689 -12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.840 -13.319 -14.399 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.303 -11.654 -14.692 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.545 -12.825 -14.374 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.109 -11.637 -15.533 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.725 -10.910 -13.303 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.948 -9.868 -14.002 1.00 0.00 H new ATOM 965 N ASP A 64 -12.476 -13.356 -11.002 1.00 0.00 N ATOM 966 CA ASP A 64 -12.161 -14.539 -10.210 1.00 0.00 C ATOM 967 C ASP A 64 -12.118 -14.201 -8.723 1.00 0.00 C ATOM 968 O ASP A 64 -12.230 -15.084 -7.871 1.00 0.00 O ATOM 969 CB ASP A 64 -10.822 -15.132 -10.650 1.00 0.00 C ATOM 970 CG ASP A 64 -10.953 -16.010 -11.879 1.00 0.00 C ATOM 971 OD1 ASP A 64 -10.941 -15.464 -13.003 1.00 0.00 O ATOM 972 OD2 ASP A 64 -11.068 -17.243 -11.717 1.00 0.00 O ATOM 0 H ASP A 64 -11.870 -12.555 -10.823 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.947 -15.276 -10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.121 -14.324 -10.858 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.401 -15.717 -9.832 1.00 0.00 H new ATOM 977 N HIS A 65 -11.953 -12.918 -8.417 1.00 0.00 N ATOM 978 CA HIS A 65 -11.894 -12.464 -7.032 1.00 0.00 C ATOM 979 C HIS A 65 -12.355 -11.014 -6.916 1.00 0.00 C ATOM 980 O HIS A 65 -11.630 -10.090 -7.284 1.00 0.00 O ATOM 981 CB HIS A 65 -10.472 -12.604 -6.487 1.00 0.00 C ATOM 982 CG HIS A 65 -10.191 -13.947 -5.886 1.00 0.00 C ATOM 983 ND1 HIS A 65 -10.055 -14.151 -4.529 1.00 0.00 N ATOM 984 CD2 HIS A 65 -10.022 -15.159 -6.466 1.00 0.00 C ATOM 985 CE1 HIS A 65 -9.813 -15.429 -4.300 1.00 0.00 C ATOM 986 NE2 HIS A 65 -9.788 -16.063 -5.459 1.00 0.00 N ATOM 0 H HIS A 65 -11.858 -12.175 -9.109 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.564 -13.089 -6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.763 -12.420 -7.294 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.303 -11.835 -5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.064 -15.375 -7.523 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.661 -15.879 -3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.622 -17.061 -5.585 1.00 0.00 H new ATOM 995 N LEU A 66 -13.565 -10.823 -6.403 1.00 0.00 N ATOM 996 CA LEU A 66 -14.124 -9.485 -6.239 1.00 0.00 C ATOM 997 C LEU A 66 -13.671 -8.864 -4.921 1.00 0.00 C ATOM 998 O LEU A 66 -14.420 -8.126 -4.281 1.00 0.00 O ATOM 999 CB LEU A 66 -15.652 -9.539 -6.291 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.255 -10.409 -7.395 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.644 -10.887 -6.999 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.307 -9.643 -8.709 1.00 0.00 C ATOM 0 H LEU A 66 -14.178 -11.577 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.760 -8.863 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.016 -9.902 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.028 -8.523 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.618 -11.283 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.057 -11.504 -7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.579 -11.473 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.292 -10.026 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.739 -10.277 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.921 -8.751 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.298 -9.351 -9.000 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.440 -9.165 -4.524 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.886 -8.636 -3.283 1.00 0.00 C ATOM 1016 C TYR A 67 -10.466 -8.123 -3.495 1.00 0.00 C ATOM 1017 O TYR A 67 -9.671 -8.056 -2.558 1.00 0.00 O ATOM 1018 CB TYR A 67 -11.894 -9.713 -2.197 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.054 -10.677 -2.308 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.363 -10.216 -2.369 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -12.840 -12.049 -2.353 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.426 -11.093 -2.470 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -13.897 -12.934 -2.456 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.187 -12.451 -2.513 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.243 -13.328 -2.615 1.00 0.00 O ATOM 0 H TYR A 67 -11.806 -9.773 -5.043 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.510 -7.802 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -10.961 -10.274 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.925 -9.231 -1.220 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.553 -9.153 -2.337 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.831 -12.431 -2.307 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.438 -10.718 -2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.713 -13.998 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.904 -14.247 -2.634 1.00 0.00 H new ATOM 1035 N SER A 68 -10.154 -7.760 -4.735 1.00 0.00 N ATOM 1036 CA SER A 68 -8.828 -7.255 -5.073 1.00 0.00 C ATOM 1037 C SER A 68 -8.880 -5.764 -5.393 1.00 0.00 C ATOM 1038 O SER A 68 -9.782 -5.298 -6.090 1.00 0.00 O ATOM 1039 CB SER A 68 -8.255 -8.024 -6.265 1.00 0.00 C ATOM 1040 OG SER A 68 -9.264 -8.318 -7.215 1.00 0.00 O ATOM 0 H SER A 68 -10.801 -7.806 -5.522 1.00 0.00 H new ATOM 0 HA SER A 68 -8.179 -7.401 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.468 -7.436 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.797 -8.950 -5.918 1.00 0.00 H new ATOM 0 HG SER A 68 -9.826 -9.048 -6.880 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.906 -5.021 -4.880 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.840 -3.582 -5.109 1.00 0.00 C ATOM 1048 C PHE A 69 -6.436 -3.163 -5.535 1.00 0.00 C ATOM 1049 O PHE A 69 -5.466 -3.887 -5.312 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.249 -2.823 -3.845 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.702 -3.425 -2.581 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.256 -4.579 -2.052 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.634 -2.836 -1.924 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.755 -5.134 -0.889 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.128 -3.387 -0.761 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.689 -4.537 -0.244 1.00 0.00 C ATOM 0 H PHE A 69 -7.151 -5.391 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.534 -3.335 -5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.907 -1.791 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.337 -2.795 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.088 -5.050 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.191 -1.936 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.196 -6.033 -0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.295 -2.918 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.295 -4.970 0.664 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.336 -1.989 -6.151 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.052 -1.474 -6.610 1.00 0.00 C ATOM 1068 C ARG A 70 -4.915 0.011 -6.288 1.00 0.00 C ATOM 1069 O ARG A 70 -5.912 0.708 -6.093 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.899 -1.696 -8.116 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.856 -0.865 -8.955 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.718 -1.181 -10.436 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.670 -0.386 -11.070 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.560 -0.231 -12.385 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.428 -0.813 -13.200 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -3.579 0.509 -12.887 1.00 0.00 N ATOM 0 H ARG A 70 -7.129 -1.377 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.264 -2.016 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.875 -1.460 -8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.058 -2.751 -8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.881 -1.055 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.661 0.194 -8.788 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.495 -2.241 -10.561 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.668 -0.994 -10.937 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.985 0.075 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.184 -1.382 -12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.341 -0.692 -14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.909 0.959 -12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.495 0.628 -13.897 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.676 0.487 -6.233 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.410 1.889 -5.934 1.00 0.00 C ATOM 1092 C ILE A 71 -2.824 2.607 -7.145 1.00 0.00 C ATOM 1093 O ILE A 71 -2.117 2.006 -7.956 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.442 2.037 -4.746 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.682 0.925 -3.722 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.604 3.404 -4.098 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.657 0.897 -2.610 1.00 0.00 C ATOM 0 H ILE A 71 -2.841 -0.077 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.366 2.343 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.420 1.950 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.674 1.050 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.677 -0.037 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.913 3.493 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.388 4.182 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.627 3.517 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.889 0.084 -1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.665 0.741 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.677 1.845 -2.072 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.120 3.896 -7.262 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.621 4.699 -8.374 1.00 0.00 C ATOM 1111 C LEU A 72 -2.231 6.097 -7.904 1.00 0.00 C ATOM 1112 O LEU A 72 -2.923 6.704 -7.086 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.679 4.795 -9.474 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.439 3.505 -9.789 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.870 3.815 -10.198 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.728 2.722 -10.883 1.00 0.00 C ATOM 0 H LEU A 72 -3.703 4.409 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.733 4.209 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.402 5.559 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.194 5.140 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.465 2.892 -8.888 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.395 2.885 -10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.377 4.334 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.866 4.448 -11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.282 1.807 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.671 3.329 -11.787 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.721 2.468 -10.553 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.120 6.603 -8.429 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.640 7.932 -8.066 1.00 0.00 C ATOM 1130 C HIS A 73 -1.132 8.978 -9.061 1.00 0.00 C ATOM 1131 O HIS A 73 -1.996 9.795 -8.743 1.00 0.00 O ATOM 1132 CB HIS A 73 0.888 7.946 -8.007 1.00 0.00 C ATOM 1133 CG HIS A 73 1.454 9.209 -7.435 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.445 9.939 -8.056 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.161 9.872 -6.292 1.00 0.00 C ATOM 1136 CE1 HIS A 73 2.738 10.995 -7.320 1.00 0.00 C ATOM 1137 NE2 HIS A 73 1.973 10.978 -6.244 1.00 0.00 N ATOM 0 H HIS A 73 -0.535 6.114 -9.107 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.037 8.179 -7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.228 7.101 -7.408 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.284 7.803 -9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.426 9.585 -5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.478 11.745 -7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.984 11.674 -5.498 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.574 8.949 -10.267 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.956 9.894 -11.310 1.00 0.00 C ATOM 1148 C LYS A 74 -1.441 9.162 -12.557 1.00 0.00 C ATOM 1149 O LYS A 74 -1.106 9.538 -13.680 1.00 0.00 O ATOM 1150 CB LYS A 74 0.226 10.799 -11.665 1.00 0.00 C ATOM 1151 CG LYS A 74 1.114 11.132 -10.478 1.00 0.00 C ATOM 1152 CD LYS A 74 1.763 12.497 -10.634 1.00 0.00 C ATOM 1153 CE LYS A 74 3.034 12.418 -11.466 1.00 0.00 C ATOM 1154 NZ LYS A 74 2.742 12.137 -12.899 1.00 0.00 N ATOM 0 H LYS A 74 0.145 8.281 -10.546 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.773 10.506 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.827 10.313 -12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.153 11.726 -12.096 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.522 11.112 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.887 10.370 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.060 13.183 -11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.995 12.905 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.581 13.357 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.681 11.637 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.468 12.584 -13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.747 11.109 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.807 12.521 -13.145 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.233 8.114 -12.352 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.752 7.346 -13.469 1.00 0.00 C ATOM 1170 C GLY A 75 -1.982 6.061 -13.698 1.00 0.00 C ATOM 1171 O GLY A 75 -2.256 5.326 -14.646 1.00 0.00 O ATOM 0 H GLY A 75 -2.525 7.783 -11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.801 7.110 -13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.714 7.954 -14.373 1.00 0.00 H new ATOM 1175 N GLU A 76 -1.013 5.791 -12.828 1.00 0.00 N ATOM 1176 CA GLU A 76 -0.199 4.586 -12.943 1.00 0.00 C ATOM 1177 C GLU A 76 -0.512 3.609 -11.813 1.00 0.00 C ATOM 1178 O GLU A 76 -1.263 3.929 -10.893 1.00 0.00 O ATOM 1179 CB GLU A 76 1.288 4.946 -12.925 1.00 0.00 C ATOM 1180 CG GLU A 76 1.895 5.094 -14.309 1.00 0.00 C ATOM 1181 CD GLU A 76 3.307 5.647 -14.271 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.136 5.102 -13.513 1.00 0.00 O ATOM 1183 OE2 GLU A 76 3.582 6.623 -14.999 1.00 0.00 O ATOM 0 H GLU A 76 -0.773 6.389 -12.037 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.437 4.105 -13.892 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.421 5.879 -12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.833 4.176 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.902 4.123 -14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.267 5.753 -14.909 1.00 0.00 H new ATOM 1190 N GLU A 77 0.071 2.417 -11.892 1.00 0.00 N ATOM 1191 CA GLU A 77 -0.146 1.393 -10.877 1.00 0.00 C ATOM 1192 C GLU A 77 1.048 1.301 -9.931 1.00 0.00 C ATOM 1193 O GLU A 77 2.183 1.099 -10.365 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.394 0.034 -11.536 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.764 -1.062 -10.551 1.00 0.00 C ATOM 1196 CD GLU A 77 -1.092 -2.375 -11.235 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.243 -2.872 -12.004 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -2.198 -2.905 -11.000 1.00 0.00 O ATOM 0 H GLU A 77 0.696 2.137 -12.647 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.025 1.674 -10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.193 0.136 -12.270 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.502 -0.265 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.062 -1.215 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.622 -0.740 -9.960 1.00 0.00 H new ATOM 1205 N LEU A 78 0.784 1.452 -8.638 1.00 0.00 N ATOM 1206 CA LEU A 78 1.837 1.387 -7.630 1.00 0.00 C ATOM 1207 C LEU A 78 1.903 0.000 -7.000 1.00 0.00 C ATOM 1208 O LEU A 78 2.979 -0.582 -6.869 1.00 0.00 O ATOM 1209 CB LEU A 78 1.598 2.441 -6.547 1.00 0.00 C ATOM 1210 CG LEU A 78 1.360 3.868 -7.040 1.00 0.00 C ATOM 1211 CD1 LEU A 78 1.010 4.783 -5.877 1.00 0.00 C ATOM 1212 CD2 LEU A 78 2.585 4.388 -7.779 1.00 0.00 C ATOM 0 H LEU A 78 -0.149 1.620 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 78 2.789 1.588 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.736 2.135 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.459 2.448 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 78 0.519 3.857 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.844 5.795 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.104 4.422 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.830 4.789 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.398 5.405 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.444 4.384 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.792 3.747 -8.636 1.00 0.00 H new ATOM 1224 N ALA A 79 0.744 -0.525 -6.615 1.00 0.00 N ATOM 1225 CA ALA A 79 0.670 -1.846 -6.003 1.00 0.00 C ATOM 1226 C ALA A 79 -0.719 -2.452 -6.172 1.00 0.00 C ATOM 1227 O ALA A 79 -1.662 -1.768 -6.568 1.00 0.00 O ATOM 1228 CB ALA A 79 1.037 -1.767 -4.529 1.00 0.00 C ATOM 0 H ALA A 79 -0.156 -0.056 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 79 1.385 -2.494 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.977 -2.761 -4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.053 -1.384 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.345 -1.099 -4.017 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.838 -3.741 -5.870 1.00 0.00 N ATOM 1235 CA LYS A 80 -2.112 -4.440 -5.987 1.00 0.00 C ATOM 1236 C LYS A 80 -2.265 -5.482 -4.884 1.00 0.00 C ATOM 1237 O LYS A 80 -1.503 -6.448 -4.818 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.223 -5.113 -7.357 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.533 -5.853 -7.567 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.935 -5.871 -9.032 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.353 -6.389 -9.215 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.365 -5.314 -9.024 1.00 0.00 N ATOM 0 H LYS A 80 -0.067 -4.323 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.911 -3.706 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.114 -4.356 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.397 -5.814 -7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.436 -6.876 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.318 -5.378 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.858 -4.865 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.242 -6.498 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.458 -6.814 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.540 -7.194 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.318 -5.703 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.293 -4.937 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.192 -4.549 -9.707 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.253 -5.280 -4.019 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.507 -6.203 -2.918 1.00 0.00 C ATOM 1258 C LEU A 81 -4.825 -6.944 -3.122 1.00 0.00 C ATOM 1259 O LEU A 81 -5.659 -6.535 -3.929 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.534 -5.447 -1.589 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.323 -4.560 -1.297 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.047 -5.213 -1.807 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.507 -3.185 -1.921 1.00 0.00 C ATOM 0 H LEU A 81 -3.891 -4.485 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.700 -6.935 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.429 -4.825 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.630 -6.174 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.237 -4.439 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.196 -4.567 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.908 -6.175 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.122 -5.366 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.636 -2.567 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.619 -3.287 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.399 -2.714 -1.507 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.005 -8.034 -2.382 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.223 -8.830 -2.481 1.00 0.00 C ATOM 1277 C GLU A 82 -6.638 -9.362 -1.112 1.00 0.00 C ATOM 1278 O GLU A 82 -5.799 -9.791 -0.321 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.020 -9.995 -3.453 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.147 -11.013 -3.427 1.00 0.00 C ATOM 1281 CD GLU A 82 -8.174 -10.774 -4.517 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.892 -11.116 -5.684 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -9.261 -10.245 -4.202 1.00 0.00 O ATOM 0 H GLU A 82 -4.324 -8.385 -1.709 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.018 -8.186 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.922 -9.600 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.083 -10.497 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.730 -12.014 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.640 -10.980 -2.455 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.939 -9.329 -0.841 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.466 -9.809 0.430 1.00 0.00 C ATOM 1292 C ALA A 83 -9.083 -11.195 0.281 1.00 0.00 C ATOM 1293 O ALA A 83 -8.998 -11.813 -0.781 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.492 -8.829 0.980 1.00 0.00 C ATOM 0 H ALA A 83 -8.647 -8.975 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.637 -9.883 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.877 -9.200 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.021 -7.858 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.313 -8.726 0.271 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.704 -11.680 1.351 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.336 -12.994 1.340 1.00 0.00 C ATOM 1302 C LYS A 84 -11.827 -12.878 1.043 1.00 0.00 C ATOM 1303 O LYS A 84 -12.448 -13.822 0.556 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.126 -13.695 2.684 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.928 -13.085 3.820 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.105 -12.075 4.604 1.00 0.00 C ATOM 1307 CE LYS A 84 -9.387 -12.730 5.774 1.00 0.00 C ATOM 1308 NZ LYS A 84 -10.260 -12.826 6.977 1.00 0.00 N ATOM 0 H LYS A 84 -9.783 -11.182 2.238 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.871 -13.586 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.397 -14.746 2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.067 -13.662 2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.817 -12.598 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.271 -13.874 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.375 -11.607 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.755 -11.282 4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.056 -13.728 5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.493 -12.156 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.734 -13.278 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.555 -11.872 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.101 -13.395 6.751 1.00 0.00 H new ATOM 1322 N SER A 85 -12.396 -11.713 1.337 1.00 0.00 N ATOM 1323 CA SER A 85 -13.815 -11.474 1.104 1.00 0.00 C ATOM 1324 C SER A 85 -14.089 -9.988 0.894 1.00 0.00 C ATOM 1325 O SER A 85 -13.352 -9.134 1.388 1.00 0.00 O ATOM 1326 CB SER A 85 -14.642 -11.995 2.280 1.00 0.00 C ATOM 1327 OG SER A 85 -16.029 -11.817 2.048 1.00 0.00 O ATOM 0 H SER A 85 -11.895 -10.920 1.737 1.00 0.00 H new ATOM 0 HA SER A 85 -14.104 -12.010 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.429 -13.052 2.438 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.353 -11.472 3.192 1.00 0.00 H new ATOM 0 HG SER A 85 -16.535 -12.160 2.814 1.00 0.00 H new ATOM 1333 N SER A 86 -15.153 -9.686 0.158 1.00 0.00 N ATOM 1334 CA SER A 86 -15.524 -8.304 -0.121 1.00 0.00 C ATOM 1335 C SER A 86 -15.556 -7.480 1.163 1.00 0.00 C ATOM 1336 O SER A 86 -15.289 -6.279 1.149 1.00 0.00 O ATOM 1337 CB SER A 86 -16.888 -8.248 -0.811 1.00 0.00 C ATOM 1338 OG SER A 86 -17.260 -6.911 -1.099 1.00 0.00 O ATOM 0 H SER A 86 -15.774 -10.381 -0.256 1.00 0.00 H new ATOM 0 HA SER A 86 -14.772 -7.880 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.856 -8.827 -1.734 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.641 -8.709 -0.172 1.00 0.00 H new ATOM 0 HG SER A 86 -18.135 -6.903 -1.541 1.00 0.00 H new ATOM 1344 N GLU A 87 -15.886 -8.137 2.271 1.00 0.00 N ATOM 1345 CA GLU A 87 -15.954 -7.465 3.564 1.00 0.00 C ATOM 1346 C GLU A 87 -14.570 -7.007 4.013 1.00 0.00 C ATOM 1347 O GLU A 87 -14.410 -5.908 4.543 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.562 -8.396 4.615 1.00 0.00 C ATOM 1349 CG GLU A 87 -17.229 -7.661 5.765 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.480 -6.919 5.336 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -19.256 -7.479 4.534 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -18.682 -5.778 5.801 1.00 0.00 O ATOM 0 H GLU A 87 -16.110 -9.132 2.299 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.590 -6.586 3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -17.296 -9.043 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.779 -9.042 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -17.485 -8.375 6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.522 -6.953 6.198 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.572 -7.859 3.798 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.201 -7.543 4.182 1.00 0.00 C ATOM 1361 C GLU A 88 -11.644 -6.410 3.324 1.00 0.00 C ATOM 1362 O GLU A 88 -11.086 -5.443 3.841 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.313 -8.781 4.051 1.00 0.00 C ATOM 1364 CG GLU A 88 -9.847 -8.512 4.346 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.584 -8.264 5.818 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -10.509 -7.802 6.517 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.451 -8.532 6.272 1.00 0.00 O ATOM 0 H GLU A 88 -13.687 -8.773 3.360 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.207 -7.219 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.676 -9.552 4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.405 -9.178 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.251 -9.362 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.517 -7.647 3.771 1.00 0.00 H new ATOM 1374 N MET A 89 -11.799 -6.539 2.010 1.00 0.00 N ATOM 1375 CA MET A 89 -11.312 -5.527 1.081 1.00 0.00 C ATOM 1376 C MET A 89 -12.031 -4.199 1.297 1.00 0.00 C ATOM 1377 O MET A 89 -11.458 -3.131 1.087 1.00 0.00 O ATOM 1378 CB MET A 89 -11.504 -5.995 -0.363 1.00 0.00 C ATOM 1379 CG MET A 89 -12.897 -5.726 -0.909 1.00 0.00 C ATOM 1380 SD MET A 89 -12.963 -4.256 -1.951 1.00 0.00 S ATOM 1381 CE MET A 89 -11.755 -4.675 -3.204 1.00 0.00 C ATOM 0 H MET A 89 -12.258 -7.334 1.565 1.00 0.00 H new ATOM 0 HA MET A 89 -10.249 -5.379 1.269 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.771 -5.497 -0.998 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.301 -7.064 -0.420 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.230 -6.590 -1.484 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.592 -5.609 -0.078 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.173 -4.482 -4.192 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.860 -4.069 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.495 -5.730 -3.120 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.289 -4.274 1.719 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.065 -3.071 1.956 1.00 0.00 C ATOM 1393 C GLY A 90 -13.562 -2.283 3.149 1.00 0.00 C ATOM 1394 O GLY A 90 -13.787 -1.076 3.245 1.00 0.00 O ATOM 0 H GLY A 90 -13.785 -5.147 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.032 -2.440 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.109 -3.341 2.117 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.881 -2.966 4.064 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.345 -2.321 5.258 1.00 0.00 C ATOM 1400 C HIS A 91 -10.975 -1.712 4.978 1.00 0.00 C ATOM 1401 O HIS A 91 -10.583 -0.727 5.604 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.245 -3.327 6.404 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.250 -2.941 7.455 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.563 -2.128 8.525 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.943 -3.261 7.598 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.491 -1.964 9.278 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.494 -2.642 8.738 1.00 0.00 N ATOM 0 H HIS A 91 -12.687 -3.965 4.002 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.026 -1.520 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.226 -3.437 6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.973 -4.301 5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.361 -3.887 6.938 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.438 -1.375 10.182 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.545 -2.697 9.108 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.251 -2.305 4.036 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.923 -1.821 3.674 1.00 0.00 C ATOM 1418 C TRP A 92 -9.017 -0.644 2.710 1.00 0.00 C ATOM 1419 O TRP A 92 -8.172 0.252 2.724 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.101 -2.948 3.046 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.460 -3.850 4.056 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.978 -5.005 4.570 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.182 -3.671 4.676 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -7.099 -5.554 5.472 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.989 -4.756 5.554 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.180 -2.702 4.574 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.837 -4.894 6.324 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.038 -2.841 5.339 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.873 -3.930 6.204 1.00 0.00 C ATOM 0 H TRP A 92 -10.561 -3.122 3.509 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.426 -1.482 4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.746 -3.541 2.398 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.326 -2.514 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.937 -5.425 4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.249 -6.416 5.996 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.296 -1.859 3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.709 -5.732 6.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.259 -2.097 5.269 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.968 -4.011 6.787 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.048 -0.652 1.873 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.252 0.417 0.901 1.00 0.00 C ATOM 1442 C LEU A 93 -10.232 1.782 1.580 1.00 0.00 C ATOM 1443 O LEU A 93 -9.422 2.644 1.240 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.580 0.219 0.167 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.527 -0.642 -1.095 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.887 -0.673 -1.777 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.462 -0.124 -2.050 1.00 0.00 C ATOM 0 H LEU A 93 -10.756 -1.386 1.847 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.436 0.379 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.292 -0.230 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -11.973 1.199 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.264 -1.660 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.830 -1.290 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.627 -1.091 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.179 0.340 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.439 -0.749 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.695 0.903 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.489 -0.154 -1.560 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.127 1.971 2.544 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.194 3.233 3.258 1.00 0.00 C ATOM 1461 C GLY A 94 -9.993 3.455 4.156 1.00 0.00 C ATOM 1462 O GLY A 94 -9.563 4.592 4.361 1.00 0.00 O ATOM 0 H GLY A 94 -11.807 1.273 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.263 4.050 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.103 3.259 3.859 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.449 2.369 4.694 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.291 2.451 5.577 1.00 0.00 C ATOM 1468 C LEU A 95 -7.087 3.035 4.844 1.00 0.00 C ATOM 1469 O LEU A 95 -6.392 3.907 5.367 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.945 1.065 6.125 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.590 0.939 6.822 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.725 1.230 8.309 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.003 -0.448 6.600 1.00 0.00 C ATOM 0 H LEU A 95 -9.791 1.421 4.534 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.543 3.111 6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.723 0.770 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.975 0.352 5.301 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.911 1.673 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.751 1.135 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.101 2.243 8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.420 0.520 8.757 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.039 -0.520 7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.681 -1.199 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.869 -0.620 5.532 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.849 2.552 3.630 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.731 3.028 2.823 1.00 0.00 C ATOM 1487 C LEU A 96 -6.043 4.389 2.209 1.00 0.00 C ATOM 1488 O LEU A 96 -5.160 5.237 2.071 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.407 2.019 1.719 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.947 0.638 2.185 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.173 -0.397 1.094 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.481 0.674 2.593 1.00 0.00 C ATOM 0 H LEU A 96 -7.415 1.831 3.183 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.864 3.135 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.294 1.894 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.630 2.443 1.084 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.539 0.354 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.839 -1.374 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.234 -0.442 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.608 -0.118 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.170 -0.318 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.874 0.980 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.348 1.385 3.408 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.304 4.592 1.843 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.734 5.851 1.245 1.00 0.00 C ATOM 1506 C LEU A 97 -7.519 7.013 2.210 1.00 0.00 C ATOM 1507 O LEU A 97 -6.840 7.987 1.884 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.208 5.771 0.845 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.513 5.007 -0.443 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -10.984 4.625 -0.502 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.127 5.836 -1.660 1.00 0.00 C ATOM 0 H LEU A 97 -8.046 3.901 1.950 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.131 6.027 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.760 5.304 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.591 6.786 0.741 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.920 4.092 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.182 4.082 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.230 3.992 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.596 5.527 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.351 5.276 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.692 6.768 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.061 6.059 -1.625 1.00 0.00 H new ATOM 1523 N SER A 98 -8.100 6.902 3.401 1.00 0.00 N ATOM 1524 CA SER A 98 -7.974 7.944 4.413 1.00 0.00 C ATOM 1525 C SER A 98 -6.524 8.404 4.541 1.00 0.00 C ATOM 1526 O SER A 98 -6.244 9.601 4.582 1.00 0.00 O ATOM 1527 CB SER A 98 -8.481 7.436 5.764 1.00 0.00 C ATOM 1528 OG SER A 98 -8.571 8.492 6.705 1.00 0.00 O ATOM 0 H SER A 98 -8.662 6.101 3.688 1.00 0.00 H new ATOM 0 HA SER A 98 -8.581 8.794 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.460 6.973 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.809 6.665 6.141 1.00 0.00 H new ATOM 0 HG SER A 98 -8.899 8.142 7.560 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.608 7.442 4.605 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.188 7.749 4.729 1.00 0.00 C ATOM 1536 C GLU A 99 -3.646 8.352 3.437 1.00 0.00 C ATOM 1537 O GLU A 99 -2.954 9.370 3.457 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.401 6.486 5.084 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.948 5.747 6.294 1.00 0.00 C ATOM 1540 CD GLU A 99 -4.035 6.627 7.525 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.736 7.660 7.469 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -3.403 6.283 8.546 1.00 0.00 O ATOM 0 H GLU A 99 -5.824 6.446 4.573 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.069 8.481 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.404 5.813 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.362 6.757 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.939 5.358 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.311 4.889 6.510 1.00 0.00 H new ATOM 1549 N SER A 100 -3.966 7.717 2.314 1.00 0.00 N ATOM 1550 CA SER A 100 -3.508 8.188 1.012 1.00 0.00 C ATOM 1551 C SER A 100 -4.081 9.568 0.702 1.00 0.00 C ATOM 1552 O SER A 100 -5.156 9.689 0.116 1.00 0.00 O ATOM 1553 CB SER A 100 -3.911 7.198 -0.082 1.00 0.00 C ATOM 1554 OG SER A 100 -5.318 7.169 -0.252 1.00 0.00 O ATOM 0 H SER A 100 -4.541 6.875 2.280 1.00 0.00 H new ATOM 0 HA SER A 100 -2.421 8.263 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.434 7.476 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.552 6.201 0.175 1.00 0.00 H new ATOM 0 HG SER A 100 -5.644 8.074 -0.438 1.00 0.00 H new