USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 165 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 169 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.3) USER MOD Set 2.1: A 88 MET CE :methyl 172:sc= -2.62 (180deg=-2.42!) USER MOD Set 2.2: A 127 GLN :FLIP amide:sc= -2.62 F(o=-8.9!,f=-6.5) USER MOD Set 2.3: A 130 CYS SG : rot 58:sc=-0.00848 USER MOD Set 2.4: A 167 MET CE :methyl -112:sc= -1.22 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.105 (180deg=-0.49) USER MOD Single : A 21 GLN : amide:sc= 1.09 K(o=1.1,f=-0.28) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 164:sc= -0.0164 (180deg=-0.292) USER MOD Single : A 34 MET CE :methyl 162:sc= -4.67! (180deg=-6.65!) USER MOD Single : A 36 THR OG1 : rot -110:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.876 K(o=-0.88,f=-2.3!) USER MOD Single : A 45 MET CE :methyl 172:sc= -3.83! (180deg=-4!) USER MOD Single : A 46 THR OG1 : rot -13:sc= 0.652 USER MOD Single : A 47 SER OG : rot 74:sc= 0.705 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.405 USER MOD Single : A 50 LYS NZ :NH3+ 158:sc= 0.931 (180deg=0.424) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.45) USER MOD Single : A 58 MET CE :methyl -112:sc= -3.5 (180deg=-6.05!) USER MOD Single : A 59 ASN :FLIP amide:sc= -1.82 F(o=-4.5,f=-1.8) USER MOD Single : A 64 THR OG1 : rot -11:sc= 0.807 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -127:sc= 0.379 (180deg=-0.179) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 80 CYS SG : rot 157:sc= 0.515 USER MOD Single : A 86 SER OG : rot -50:sc= -0.114 USER MOD Single : A 92 LYS NZ :NH3+ -133:sc= -0.362 (180deg=-1.96!) USER MOD Single : A 95 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.4) USER MOD Single : A 96 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 101 MET CE :methyl -132:sc= -4.72! (180deg=-6.78!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -170:sc= -0.81 USER MOD Single : A 111 HIS :FLIP no HE2:sc= -0.713 F(o=-1.3,f=-0.71) USER MOD Single : A 115 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 118 ASN : amide:sc= -2.02 X(o=-2,f=-1.8) USER MOD Single : A 121 ASN : amide:sc= 0.031 K(o=0.031,f=-0.71) USER MOD Single : A 123 SER OG : rot -35:sc= 0.136 USER MOD Single : A 163 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.018) USER MOD Single : A 170 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.33) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -2.84! C(o=-2.8!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.390 0.450 13.710 1.00 0.00 N ATOM 179 CA VAL A 15 6.905 0.926 12.420 1.00 0.00 C ATOM 180 C VAL A 15 8.037 1.000 11.401 1.00 0.00 C ATOM 181 O VAL A 15 9.159 1.383 11.732 1.00 0.00 O ATOM 182 CB VAL A 15 6.250 2.314 12.544 1.00 0.00 C ATOM 183 CG1 VAL A 15 5.808 2.820 11.179 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.075 2.263 13.509 1.00 0.00 C ATOM 0 HA VAL A 15 6.158 0.209 12.079 1.00 0.00 H new ATOM 0 HB VAL A 15 6.988 3.011 12.941 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.347 3.802 11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.674 2.895 10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.086 2.126 10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.623 3.252 13.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.334 1.553 13.142 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.425 1.947 14.492 1.00 0.00 H new ATOM 194 N GLN A 16 7.734 0.631 10.161 1.00 0.00 N ATOM 195 CA GLN A 16 8.727 0.656 9.093 1.00 0.00 C ATOM 196 C GLN A 16 8.476 1.822 8.143 1.00 0.00 C ATOM 197 O GLN A 16 7.470 1.853 7.433 1.00 0.00 O ATOM 198 CB GLN A 16 8.706 -0.663 8.318 1.00 0.00 C ATOM 199 CG GLN A 16 9.638 -1.719 8.889 1.00 0.00 C ATOM 200 CD GLN A 16 9.773 -2.929 7.986 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.874 -3.283 7.564 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.650 -3.571 7.684 1.00 0.00 N ATOM 0 H GLN A 16 6.810 0.311 9.871 1.00 0.00 H new ATOM 0 HA GLN A 16 9.709 0.787 9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.689 -1.054 8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.981 -0.470 7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.622 -1.280 9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.267 -2.037 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.759 -3.243 8.056 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.679 -4.392 7.080 1.00 0.00 H new ATOM 211 N LYS A 17 9.396 2.781 8.134 1.00 0.00 N ATOM 212 CA LYS A 17 9.276 3.950 7.271 1.00 0.00 C ATOM 213 C LYS A 17 9.796 3.647 5.869 1.00 0.00 C ATOM 214 O LYS A 17 10.937 3.218 5.699 1.00 0.00 O ATOM 215 CB LYS A 17 10.045 5.131 7.867 1.00 0.00 C ATOM 216 CG LYS A 17 9.600 5.499 9.272 1.00 0.00 C ATOM 217 CD LYS A 17 10.720 6.165 10.055 1.00 0.00 C ATOM 218 CE LYS A 17 11.686 5.139 10.628 1.00 0.00 C ATOM 219 NZ LYS A 17 11.033 4.270 11.646 1.00 0.00 N ATOM 0 H LYS A 17 10.234 2.771 8.716 1.00 0.00 H new ATOM 0 HA LYS A 17 8.220 4.211 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.108 4.891 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.924 5.998 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.743 6.170 9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.271 4.602 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.261 6.852 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.296 6.759 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.079 4.521 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.535 5.652 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.757 3.870 12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.360 4.834 12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.525 3.498 11.169 1.00 0.00 H new ATOM 233 N PHE A 18 8.951 3.873 4.868 1.00 0.00 N ATOM 234 CA PHE A 18 9.326 3.624 3.481 1.00 0.00 C ATOM 235 C PHE A 18 9.338 4.923 2.680 1.00 0.00 C ATOM 236 O PHE A 18 8.411 5.728 2.770 1.00 0.00 O ATOM 237 CB PHE A 18 8.361 2.625 2.841 1.00 0.00 C ATOM 238 CG PHE A 18 8.451 1.245 3.426 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.448 0.371 3.023 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.539 0.821 4.379 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.534 -0.900 3.560 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.620 -0.449 4.919 1.00 0.00 C ATOM 243 CZ PHE A 18 8.618 -1.310 4.508 1.00 0.00 C ATOM 0 H PHE A 18 8.003 4.228 4.992 1.00 0.00 H new ATOM 0 HA PHE A 18 10.331 3.203 3.472 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.341 2.993 2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 18 8.563 2.571 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.166 0.686 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.756 1.490 4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.317 -1.571 3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.903 -0.767 5.662 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.682 -2.303 4.928 1.00 0.00 H new ATOM 253 N ARG A 19 10.393 5.119 1.897 1.00 0.00 N ATOM 254 CA ARG A 19 10.527 6.319 1.081 1.00 0.00 C ATOM 255 C ARG A 19 9.664 6.223 -0.174 1.00 0.00 C ATOM 256 O ARG A 19 9.983 5.484 -1.105 1.00 0.00 O ATOM 257 CB ARG A 19 11.990 6.536 0.690 1.00 0.00 C ATOM 258 CG ARG A 19 12.249 7.872 0.013 1.00 0.00 C ATOM 259 CD ARG A 19 12.095 7.770 -1.496 1.00 0.00 C ATOM 260 NE ARG A 19 13.205 7.049 -2.112 1.00 0.00 N ATOM 261 CZ ARG A 19 14.359 7.619 -2.443 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.552 8.911 -2.217 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.322 6.895 -3.000 1.00 0.00 N ATOM 0 H ARG A 19 11.168 4.462 1.810 1.00 0.00 H new ATOM 0 HA ARG A 19 10.186 7.169 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.610 6.465 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.301 5.733 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.556 8.618 0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.255 8.215 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.159 7.264 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.032 8.771 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 19 13.088 6.053 -2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.814 9.470 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.438 9.346 -2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.177 5.901 -3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.207 7.333 -3.254 1.00 0.00 H new ATOM 277 N VAL A 20 8.568 6.975 -0.190 1.00 0.00 N ATOM 278 CA VAL A 20 7.658 6.976 -1.330 1.00 0.00 C ATOM 279 C VAL A 20 7.147 8.381 -1.625 1.00 0.00 C ATOM 280 O VAL A 20 7.408 9.317 -0.870 1.00 0.00 O ATOM 281 CB VAL A 20 6.456 6.044 -1.089 1.00 0.00 C ATOM 282 CG1 VAL A 20 6.926 4.621 -0.831 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.612 6.553 0.070 1.00 0.00 C ATOM 0 H VAL A 20 8.289 7.591 0.573 1.00 0.00 H new ATOM 0 HA VAL A 20 8.224 6.612 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 20 5.837 6.039 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.062 3.977 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.485 4.260 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.568 4.604 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.767 5.883 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.219 6.589 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.244 7.553 -0.159 1.00 0.00 H new ATOM 293 N GLN A 21 6.417 8.521 -2.727 1.00 0.00 N ATOM 294 CA GLN A 21 5.869 9.813 -3.121 1.00 0.00 C ATOM 295 C GLN A 21 4.346 9.801 -3.057 1.00 0.00 C ATOM 296 O GLN A 21 3.717 8.752 -3.199 1.00 0.00 O ATOM 297 CB GLN A 21 6.329 10.176 -4.534 1.00 0.00 C ATOM 298 CG GLN A 21 7.738 10.743 -4.589 1.00 0.00 C ATOM 299 CD GLN A 21 8.269 10.852 -6.005 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.071 10.027 -6.445 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.823 11.872 -6.728 1.00 0.00 N ATOM 0 H GLN A 21 6.192 7.756 -3.362 1.00 0.00 H new ATOM 0 HA GLN A 21 6.238 10.564 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.279 9.287 -5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.637 10.904 -4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.747 11.729 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.404 10.109 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.159 12.532 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.144 11.996 -7.688 1.00 0.00 H new ATOM 310 N TYR A 22 3.758 10.973 -2.841 1.00 0.00 N ATOM 311 CA TYR A 22 2.308 11.096 -2.755 1.00 0.00 C ATOM 312 C TYR A 22 1.729 11.635 -4.059 1.00 0.00 C ATOM 313 O TYR A 22 1.870 12.818 -4.374 1.00 0.00 O ATOM 314 CB TYR A 22 1.922 12.015 -1.594 1.00 0.00 C ATOM 315 CG TYR A 22 0.429 12.135 -1.389 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.411 11.048 -1.594 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.142 13.337 -0.988 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.776 11.154 -1.408 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.506 13.452 -0.798 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.318 12.358 -1.010 1.00 0.00 C ATOM 321 OH TYR A 22 -3.677 12.467 -0.822 1.00 0.00 O ATOM 0 H TYR A 22 4.264 11.851 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 22 1.894 10.103 -2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.377 11.640 -0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.337 13.007 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.010 10.103 -1.904 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.491 14.196 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.415 10.299 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.933 14.393 -0.485 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.896 13.380 -0.541 1.00 0.00 H new ATOM 331 N LEU A 23 1.075 10.760 -4.815 1.00 0.00 N ATOM 332 CA LEU A 23 0.473 11.146 -6.086 1.00 0.00 C ATOM 333 C LEU A 23 -0.807 11.945 -5.861 1.00 0.00 C ATOM 334 O LEU A 23 -0.949 13.062 -6.357 1.00 0.00 O ATOM 335 CB LEU A 23 0.171 9.905 -6.928 1.00 0.00 C ATOM 336 CG LEU A 23 1.386 9.140 -7.455 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.868 8.129 -6.427 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.052 8.450 -8.770 1.00 0.00 C ATOM 0 H LEU A 23 0.948 9.778 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 23 1.184 11.776 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.432 9.222 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.440 10.207 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 23 2.190 9.853 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.733 7.595 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.148 8.648 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.069 7.419 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.928 7.911 -9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.232 7.749 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.756 9.196 -9.508 1.00 0.00 H new ATOM 350 N GLY A 24 -1.737 11.364 -5.109 1.00 0.00 N ATOM 351 CA GLY A 24 -2.992 12.037 -4.830 1.00 0.00 C ATOM 352 C GLY A 24 -4.077 11.078 -4.382 1.00 0.00 C ATOM 353 O GLY A 24 -3.834 9.881 -4.234 1.00 0.00 O ATOM 0 H GLY A 24 -1.644 10.440 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.834 12.789 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.324 12.565 -5.724 1.00 0.00 H new ATOM 357 N MET A 25 -5.278 11.605 -4.164 1.00 0.00 N ATOM 358 CA MET A 25 -6.404 10.787 -3.730 1.00 0.00 C ATOM 359 C MET A 25 -7.412 10.606 -4.861 1.00 0.00 C ATOM 360 O MET A 25 -7.565 11.480 -5.715 1.00 0.00 O ATOM 361 CB MET A 25 -7.087 11.424 -2.519 1.00 0.00 C ATOM 362 CG MET A 25 -7.829 10.425 -1.645 1.00 0.00 C ATOM 363 SD MET A 25 -8.757 11.218 -0.317 1.00 0.00 S ATOM 364 CE MET A 25 -10.097 11.965 -1.241 1.00 0.00 C ATOM 0 H MET A 25 -5.496 12.595 -4.281 1.00 0.00 H new ATOM 0 HA MET A 25 -6.022 9.806 -3.448 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.337 11.935 -1.916 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.789 12.183 -2.865 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.513 9.844 -2.264 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.114 9.723 -1.215 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.899 12.244 -0.558 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.733 12.854 -1.756 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.476 11.252 -1.973 1.00 0.00 H new ATOM 374 N LEU A 26 -8.096 9.468 -4.860 1.00 0.00 N ATOM 375 CA LEU A 26 -9.090 9.172 -5.886 1.00 0.00 C ATOM 376 C LEU A 26 -10.089 8.130 -5.393 1.00 0.00 C ATOM 377 O LEU A 26 -9.737 6.988 -5.095 1.00 0.00 O ATOM 378 CB LEU A 26 -8.404 8.674 -7.160 1.00 0.00 C ATOM 379 CG LEU A 26 -9.150 8.934 -8.469 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.465 8.169 -8.495 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.394 10.424 -8.658 1.00 0.00 C ATOM 0 H LEU A 26 -7.981 8.735 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.632 10.092 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.421 9.141 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.241 7.600 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.531 8.581 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.982 8.366 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.266 7.101 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.090 8.491 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.926 10.590 -9.595 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.992 10.803 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.439 10.948 -8.686 1.00 0.00 H new ATOM 393 N PRO A 27 -11.366 8.530 -5.305 1.00 0.00 N ATOM 394 CA PRO A 27 -12.443 7.645 -4.850 1.00 0.00 C ATOM 395 C PRO A 27 -12.755 6.545 -5.859 1.00 0.00 C ATOM 396 O PRO A 27 -12.730 6.774 -7.069 1.00 0.00 O ATOM 397 CB PRO A 27 -13.639 8.589 -4.702 1.00 0.00 C ATOM 398 CG PRO A 27 -13.353 9.713 -5.637 1.00 0.00 C ATOM 399 CD PRO A 27 -11.858 9.876 -5.642 1.00 0.00 C ATOM 0 HA PRO A 27 -12.179 7.121 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.573 8.088 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.739 8.943 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.725 9.493 -6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.845 10.629 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.493 10.205 -6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.532 10.617 -4.912 1.00 0.00 H new ATOM 407 N VAL A 28 -13.048 5.351 -5.355 1.00 0.00 N ATOM 408 CA VAL A 28 -13.366 4.216 -6.213 1.00 0.00 C ATOM 409 C VAL A 28 -14.800 3.747 -5.994 1.00 0.00 C ATOM 410 O VAL A 28 -15.315 3.789 -4.877 1.00 0.00 O ATOM 411 CB VAL A 28 -12.408 3.036 -5.960 1.00 0.00 C ATOM 412 CG1 VAL A 28 -10.981 3.422 -6.317 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.499 2.577 -4.513 1.00 0.00 C ATOM 0 H VAL A 28 -13.072 5.144 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.250 4.555 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.705 2.205 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.318 2.577 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.931 3.698 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.669 4.268 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.816 1.743 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.228 3.401 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.518 2.258 -4.296 1.00 0.00 H new ATOM 423 N ASP A 29 -15.441 3.301 -7.069 1.00 0.00 N ATOM 424 CA ASP A 29 -16.816 2.822 -6.996 1.00 0.00 C ATOM 425 C ASP A 29 -16.914 1.583 -6.111 1.00 0.00 C ATOM 426 O ASP A 29 -17.810 1.476 -5.273 1.00 0.00 O ATOM 427 CB ASP A 29 -17.344 2.506 -8.396 1.00 0.00 C ATOM 428 CG ASP A 29 -17.526 3.752 -9.241 1.00 0.00 C ATOM 429 OD1 ASP A 29 -18.264 4.661 -8.806 1.00 0.00 O ATOM 430 OD2 ASP A 29 -16.931 3.819 -10.337 1.00 0.00 O ATOM 0 H ASP A 29 -15.030 3.261 -8.002 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.426 3.611 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.653 1.828 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.298 1.985 -8.312 1.00 0.00 H new ATOM 435 N ARG A 30 -15.988 0.650 -6.304 1.00 0.00 N ATOM 436 CA ARG A 30 -15.971 -0.582 -5.525 1.00 0.00 C ATOM 437 C ARG A 30 -14.648 -0.736 -4.779 1.00 0.00 C ATOM 438 O ARG A 30 -13.604 -0.246 -5.210 1.00 0.00 O ATOM 439 CB ARG A 30 -16.199 -1.790 -6.436 1.00 0.00 C ATOM 440 CG ARG A 30 -15.179 -1.909 -7.556 1.00 0.00 C ATOM 441 CD ARG A 30 -15.174 -3.305 -8.159 1.00 0.00 C ATOM 442 NE ARG A 30 -16.086 -3.413 -9.295 1.00 0.00 N ATOM 443 CZ ARG A 30 -16.274 -4.534 -9.982 1.00 0.00 C ATOM 444 NH1 ARG A 30 -15.616 -5.637 -9.651 1.00 0.00 N ATOM 445 NH2 ARG A 30 -17.121 -4.554 -11.004 1.00 0.00 N ATOM 0 H ARG A 30 -15.240 0.724 -6.993 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.777 -0.530 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.173 -2.698 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.197 -1.724 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.402 -1.177 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.186 -1.674 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.163 -3.558 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -15.457 -4.030 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.607 -2.582 -9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.964 -5.626 -8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.762 -6.496 -10.180 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.628 -3.708 -11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -17.264 -5.416 -11.531 1.00 0.00 H new ATOM 459 N PRO A 31 -14.692 -1.434 -3.635 1.00 0.00 N ATOM 460 CA PRO A 31 -13.506 -1.669 -2.805 1.00 0.00 C ATOM 461 C PRO A 31 -12.518 -2.625 -3.465 1.00 0.00 C ATOM 462 O PRO A 31 -11.304 -2.434 -3.382 1.00 0.00 O ATOM 463 CB PRO A 31 -14.082 -2.290 -1.531 1.00 0.00 C ATOM 464 CG PRO A 31 -15.363 -2.918 -1.961 1.00 0.00 C ATOM 465 CD PRO A 31 -15.901 -2.047 -3.062 1.00 0.00 C ATOM 0 HA PRO A 31 -12.942 -0.753 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.401 -3.029 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.250 -1.535 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.200 -3.936 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.067 -2.977 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.447 -2.629 -3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.590 -1.294 -2.678 1.00 0.00 H new ATOM 473 N VAL A 32 -13.045 -3.655 -4.120 1.00 0.00 N ATOM 474 CA VAL A 32 -12.209 -4.640 -4.795 1.00 0.00 C ATOM 475 C VAL A 32 -12.201 -4.414 -6.303 1.00 0.00 C ATOM 476 O VAL A 32 -12.777 -3.446 -6.799 1.00 0.00 O ATOM 477 CB VAL A 32 -12.686 -6.075 -4.504 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.613 -6.371 -3.014 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.099 -6.282 -5.029 1.00 0.00 C ATOM 0 H VAL A 32 -14.047 -3.829 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.198 -4.516 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.025 -6.771 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.954 -7.389 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.583 -6.265 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.249 -5.671 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.421 -7.301 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.775 -5.578 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.115 -6.115 -6.106 1.00 0.00 H new ATOM 489 N GLY A 33 -11.546 -5.315 -7.028 1.00 0.00 N ATOM 490 CA GLY A 33 -11.476 -5.197 -8.472 1.00 0.00 C ATOM 491 C GLY A 33 -10.315 -4.335 -8.928 1.00 0.00 C ATOM 492 O GLY A 33 -10.369 -3.109 -8.834 1.00 0.00 O ATOM 0 H GLY A 33 -11.062 -6.125 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.381 -6.190 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.408 -4.772 -8.844 1.00 0.00 H new ATOM 496 N MET A 34 -9.262 -4.977 -9.422 1.00 0.00 N ATOM 497 CA MET A 34 -8.082 -4.261 -9.893 1.00 0.00 C ATOM 498 C MET A 34 -8.466 -3.192 -10.912 1.00 0.00 C ATOM 499 O MET A 34 -8.098 -2.026 -10.771 1.00 0.00 O ATOM 500 CB MET A 34 -7.080 -5.236 -10.514 1.00 0.00 C ATOM 501 CG MET A 34 -6.154 -5.884 -9.498 1.00 0.00 C ATOM 502 SD MET A 34 -4.642 -4.938 -9.234 1.00 0.00 S ATOM 503 CE MET A 34 -5.294 -3.475 -8.432 1.00 0.00 C ATOM 0 H MET A 34 -9.201 -5.992 -9.507 1.00 0.00 H new ATOM 0 HA MET A 34 -7.619 -3.773 -9.036 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.626 -6.016 -11.045 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.480 -4.706 -11.254 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.680 -5.992 -8.550 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.896 -6.888 -9.836 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.486 -2.948 -7.924 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.742 -2.820 -9.179 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.051 -3.766 -7.704 1.00 0.00 H new ATOM 513 N ASP A 35 -9.208 -3.597 -11.937 1.00 0.00 N ATOM 514 CA ASP A 35 -9.643 -2.674 -12.978 1.00 0.00 C ATOM 515 C ASP A 35 -10.143 -1.367 -12.372 1.00 0.00 C ATOM 516 O ASP A 35 -9.953 -0.292 -12.941 1.00 0.00 O ATOM 517 CB ASP A 35 -10.744 -3.311 -13.827 1.00 0.00 C ATOM 518 CG ASP A 35 -11.084 -2.482 -15.050 1.00 0.00 C ATOM 519 OD1 ASP A 35 -10.149 -1.971 -15.700 1.00 0.00 O ATOM 520 OD2 ASP A 35 -12.287 -2.344 -15.357 1.00 0.00 O ATOM 0 H ASP A 35 -9.521 -4.559 -12.069 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.786 -2.454 -13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.427 -4.305 -14.142 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.639 -3.440 -13.219 1.00 0.00 H new ATOM 525 N THR A 36 -10.786 -1.466 -11.212 1.00 0.00 N ATOM 526 CA THR A 36 -11.316 -0.293 -10.529 1.00 0.00 C ATOM 527 C THR A 36 -10.211 0.469 -9.806 1.00 0.00 C ATOM 528 O THR A 36 -10.188 1.701 -9.808 1.00 0.00 O ATOM 529 CB THR A 36 -12.406 -0.680 -9.512 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.494 -1.326 -10.182 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.916 0.548 -8.772 1.00 0.00 C ATOM 0 H THR A 36 -10.952 -2.347 -10.726 1.00 0.00 H new ATOM 0 HA THR A 36 -11.754 0.347 -11.295 1.00 0.00 H new ATOM 0 HB THR A 36 -11.968 -1.366 -8.787 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.278 -0.737 -10.176 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.685 0.250 -8.059 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.091 1.020 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.338 1.254 -9.487 1.00 0.00 H new ATOM 539 N LEU A 37 -9.294 -0.270 -9.191 1.00 0.00 N ATOM 540 CA LEU A 37 -8.184 0.337 -8.464 1.00 0.00 C ATOM 541 C LEU A 37 -7.276 1.117 -9.410 1.00 0.00 C ATOM 542 O LEU A 37 -7.031 2.306 -9.210 1.00 0.00 O ATOM 543 CB LEU A 37 -7.377 -0.739 -7.736 1.00 0.00 C ATOM 544 CG LEU A 37 -6.299 -0.235 -6.775 1.00 0.00 C ATOM 545 CD1 LEU A 37 -6.099 -1.219 -5.634 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.991 0.000 -7.516 1.00 0.00 C ATOM 0 H LEU A 37 -9.297 -1.290 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.597 1.031 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.069 -1.367 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.901 -1.375 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.630 0.715 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.328 -0.844 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.034 -1.336 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.791 -2.184 -6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.236 0.358 -6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.655 -0.934 -7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.144 0.744 -8.297 1.00 0.00 H new ATOM 558 N ASN A 38 -6.782 0.440 -10.441 1.00 0.00 N ATOM 559 CA ASN A 38 -5.903 1.071 -11.419 1.00 0.00 C ATOM 560 C ASN A 38 -6.540 2.335 -11.988 1.00 0.00 C ATOM 561 O ASN A 38 -5.851 3.311 -12.283 1.00 0.00 O ATOM 562 CB ASN A 38 -5.582 0.093 -12.551 1.00 0.00 C ATOM 563 CG ASN A 38 -4.932 -1.181 -12.048 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.754 -1.191 -11.691 1.00 0.00 O ATOM 565 ND2 ASN A 38 -5.699 -2.265 -12.019 1.00 0.00 N ATOM 0 H ASN A 38 -6.975 -0.545 -10.621 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.978 1.349 -10.914 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.500 -0.156 -13.083 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.919 0.577 -13.268 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.316 -3.152 -11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.671 -2.211 -12.325 1.00 0.00 H new ATOM 572 N SER A 39 -7.860 2.308 -12.139 1.00 0.00 N ATOM 573 CA SER A 39 -8.591 3.451 -12.676 1.00 0.00 C ATOM 574 C SER A 39 -8.357 4.694 -11.824 1.00 0.00 C ATOM 575 O SER A 39 -8.570 5.819 -12.276 1.00 0.00 O ATOM 576 CB SER A 39 -10.087 3.140 -12.744 1.00 0.00 C ATOM 577 OG SER A 39 -10.733 3.949 -13.712 1.00 0.00 O ATOM 0 H SER A 39 -8.445 1.508 -11.898 1.00 0.00 H new ATOM 0 HA SER A 39 -8.222 3.647 -13.683 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.232 2.088 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.541 3.305 -11.767 1.00 0.00 H new ATOM 0 HG SER A 39 -11.688 3.730 -13.737 1.00 0.00 H new ATOM 583 N ALA A 40 -7.917 4.483 -10.588 1.00 0.00 N ATOM 584 CA ALA A 40 -7.652 5.585 -9.672 1.00 0.00 C ATOM 585 C ALA A 40 -6.222 6.093 -9.824 1.00 0.00 C ATOM 586 O ALA A 40 -5.962 7.290 -9.694 1.00 0.00 O ATOM 587 CB ALA A 40 -7.911 5.153 -8.237 1.00 0.00 C ATOM 0 H ALA A 40 -7.736 3.558 -10.198 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.329 6.402 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.709 5.986 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.951 4.846 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.259 4.317 -7.985 1.00 0.00 H new ATOM 593 N ILE A 41 -5.300 5.177 -10.099 1.00 0.00 N ATOM 594 CA ILE A 41 -3.897 5.533 -10.269 1.00 0.00 C ATOM 595 C ILE A 41 -3.709 6.481 -11.448 1.00 0.00 C ATOM 596 O ILE A 41 -3.276 7.620 -11.278 1.00 0.00 O ATOM 597 CB ILE A 41 -3.021 4.285 -10.484 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.246 3.276 -9.355 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.553 4.675 -10.567 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.475 1.987 -9.534 1.00 0.00 C ATOM 0 H ILE A 41 -5.499 4.183 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.585 6.032 -9.351 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.306 3.818 -11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.959 3.733 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.310 3.048 -9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.947 3.782 -10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.405 5.360 -11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.253 5.163 -9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.682 1.320 -8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.779 1.508 -10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.407 2.204 -9.569 1.00 0.00 H new ATOM 612 N GLU A 42 -4.040 6.003 -12.643 1.00 0.00 N ATOM 613 CA GLU A 42 -3.909 6.809 -13.851 1.00 0.00 C ATOM 614 C GLU A 42 -4.520 8.193 -13.651 1.00 0.00 C ATOM 615 O GLU A 42 -3.884 9.210 -13.924 1.00 0.00 O ATOM 616 CB GLU A 42 -4.580 6.109 -15.034 1.00 0.00 C ATOM 617 CG GLU A 42 -3.665 5.145 -15.770 1.00 0.00 C ATOM 618 CD GLU A 42 -4.033 4.993 -17.233 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.087 4.388 -17.521 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.267 5.479 -18.091 1.00 0.00 O ATOM 0 H GLU A 42 -4.401 5.062 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.847 6.927 -14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.454 5.565 -14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.939 6.862 -15.735 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.636 5.496 -15.693 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.706 4.169 -15.286 1.00 0.00 H new ATOM 627 N ASN A 43 -5.760 8.222 -13.173 1.00 0.00 N ATOM 628 CA ASN A 43 -6.459 9.480 -12.938 1.00 0.00 C ATOM 629 C ASN A 43 -5.515 10.525 -12.351 1.00 0.00 C ATOM 630 O ASN A 43 -5.378 11.625 -12.888 1.00 0.00 O ATOM 631 CB ASN A 43 -7.644 9.260 -11.995 1.00 0.00 C ATOM 632 CG ASN A 43 -8.891 8.806 -12.729 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.010 8.984 -13.941 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.827 8.215 -11.996 1.00 0.00 N ATOM 0 H ASN A 43 -6.301 7.389 -12.941 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.828 9.847 -13.896 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.375 8.515 -11.246 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.857 10.186 -11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.687 7.888 -12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.686 8.088 -10.994 1.00 0.00 H new ATOM 641 N LEU A 44 -4.866 10.174 -11.246 1.00 0.00 N ATOM 642 CA LEU A 44 -3.934 11.081 -10.586 1.00 0.00 C ATOM 643 C LEU A 44 -2.685 11.293 -11.437 1.00 0.00 C ATOM 644 O LEU A 44 -2.377 12.415 -11.835 1.00 0.00 O ATOM 645 CB LEU A 44 -3.542 10.531 -9.213 1.00 0.00 C ATOM 646 CG LEU A 44 -4.698 10.197 -8.270 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.313 9.059 -7.337 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.109 11.427 -7.473 1.00 0.00 C ATOM 0 H LEU A 44 -4.968 9.268 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.431 12.042 -10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.948 9.629 -9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.898 11.260 -8.722 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.550 9.876 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.148 8.835 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.069 8.174 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.446 9.352 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.933 11.170 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.262 11.778 -6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.427 12.214 -8.157 1.00 0.00 H new ATOM 660 N MET A 45 -1.972 10.206 -11.712 1.00 0.00 N ATOM 661 CA MET A 45 -0.759 10.272 -12.519 1.00 0.00 C ATOM 662 C MET A 45 -0.919 11.272 -13.660 1.00 0.00 C ATOM 663 O MET A 45 0.007 12.019 -13.979 1.00 0.00 O ATOM 664 CB MET A 45 -0.418 8.891 -13.080 1.00 0.00 C ATOM 665 CG MET A 45 -0.103 7.860 -12.009 1.00 0.00 C ATOM 666 SD MET A 45 1.066 6.607 -12.572 1.00 0.00 S ATOM 667 CE MET A 45 1.856 6.163 -11.027 1.00 0.00 C ATOM 0 H MET A 45 -2.213 9.269 -11.388 1.00 0.00 H new ATOM 0 HA MET A 45 0.056 10.607 -11.878 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.255 8.535 -13.680 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.438 8.981 -13.749 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.305 8.365 -11.133 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.027 7.374 -11.695 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.503 5.300 -11.184 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.451 7.003 -10.668 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.095 5.916 -10.287 1.00 0.00 H new ATOM 677 N THR A 46 -2.099 11.282 -14.271 1.00 0.00 N ATOM 678 CA THR A 46 -2.379 12.189 -15.377 1.00 0.00 C ATOM 679 C THR A 46 -2.564 13.619 -14.882 1.00 0.00 C ATOM 680 O THR A 46 -2.144 14.572 -15.538 1.00 0.00 O ATOM 681 CB THR A 46 -3.640 11.759 -16.151 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.761 11.694 -15.263 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.433 10.406 -16.813 1.00 0.00 C ATOM 0 H THR A 46 -2.877 10.672 -14.019 1.00 0.00 H new ATOM 0 HA THR A 46 -1.519 12.147 -16.045 1.00 0.00 H new ATOM 0 HB THR A 46 -3.834 12.500 -16.927 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.447 11.739 -14.336 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.336 10.123 -17.353 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.597 10.466 -17.510 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.217 9.657 -16.051 1.00 0.00 H new ATOM 691 N SER A 47 -3.194 13.762 -13.720 1.00 0.00 N ATOM 692 CA SER A 47 -3.437 15.077 -13.139 1.00 0.00 C ATOM 693 C SER A 47 -2.126 15.741 -12.730 1.00 0.00 C ATOM 694 O SER A 47 -1.798 16.832 -13.197 1.00 0.00 O ATOM 695 CB SER A 47 -4.361 14.958 -11.925 1.00 0.00 C ATOM 696 OG SER A 47 -5.638 14.474 -12.302 1.00 0.00 O ATOM 0 H SER A 47 -3.545 12.983 -13.163 1.00 0.00 H new ATOM 0 HA SER A 47 -3.918 15.698 -13.895 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.917 14.287 -11.190 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.464 15.932 -11.446 1.00 0.00 H new ATOM 0 HG SER A 47 -5.578 13.517 -12.506 1.00 0.00 H new ATOM 702 N SER A 48 -1.379 15.074 -11.856 1.00 0.00 N ATOM 703 CA SER A 48 -0.105 15.600 -11.380 1.00 0.00 C ATOM 704 C SER A 48 1.063 14.894 -12.063 1.00 0.00 C ATOM 705 O SER A 48 0.880 13.886 -12.746 1.00 0.00 O ATOM 706 CB SER A 48 0.003 15.438 -9.863 1.00 0.00 C ATOM 707 OG SER A 48 -1.014 16.167 -9.198 1.00 0.00 O ATOM 0 H SER A 48 -1.634 14.168 -11.463 1.00 0.00 H new ATOM 0 HA SER A 48 -0.062 16.660 -11.629 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.071 14.383 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.981 15.782 -9.526 1.00 0.00 H new ATOM 0 HG SER A 48 -0.924 16.045 -8.230 1.00 0.00 H new ATOM 713 N SER A 49 2.264 15.431 -11.873 1.00 0.00 N ATOM 714 CA SER A 49 3.462 14.856 -12.472 1.00 0.00 C ATOM 715 C SER A 49 4.209 13.985 -11.467 1.00 0.00 C ATOM 716 O SER A 49 4.035 14.126 -10.256 1.00 0.00 O ATOM 717 CB SER A 49 4.382 15.964 -12.987 1.00 0.00 C ATOM 718 OG SER A 49 4.566 16.971 -12.007 1.00 0.00 O ATOM 0 H SER A 49 2.433 16.264 -11.309 1.00 0.00 H new ATOM 0 HA SER A 49 3.154 14.230 -13.310 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.348 15.540 -13.263 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.957 16.404 -13.889 1.00 0.00 H new ATOM 0 HG SER A 49 5.159 17.667 -12.360 1.00 0.00 H new ATOM 724 N LYS A 50 5.041 13.084 -11.977 1.00 0.00 N ATOM 725 CA LYS A 50 5.817 12.190 -11.126 1.00 0.00 C ATOM 726 C LYS A 50 6.779 12.978 -10.242 1.00 0.00 C ATOM 727 O LYS A 50 7.271 12.468 -9.236 1.00 0.00 O ATOM 728 CB LYS A 50 6.597 11.189 -11.980 1.00 0.00 C ATOM 729 CG LYS A 50 7.634 10.400 -11.199 1.00 0.00 C ATOM 730 CD LYS A 50 7.822 9.005 -11.773 1.00 0.00 C ATOM 731 CE LYS A 50 9.099 8.359 -11.258 1.00 0.00 C ATOM 732 NZ LYS A 50 9.675 7.405 -12.247 1.00 0.00 N ATOM 0 H LYS A 50 5.195 12.953 -12.977 1.00 0.00 H new ATOM 0 HA LYS A 50 5.123 11.648 -10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.896 10.494 -12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.094 11.724 -12.789 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.585 10.932 -11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.327 10.327 -10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.966 8.383 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.853 9.059 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.832 9.133 -11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.890 7.834 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.688 7.272 -12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.185 6.490 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.554 7.786 -13.207 1.00 0.00 H new ATOM 746 N GLU A 51 7.041 14.224 -10.624 1.00 0.00 N ATOM 747 CA GLU A 51 7.943 15.082 -9.865 1.00 0.00 C ATOM 748 C GLU A 51 7.173 15.913 -8.843 1.00 0.00 C ATOM 749 O GLU A 51 7.687 16.230 -7.770 1.00 0.00 O ATOM 750 CB GLU A 51 8.719 16.004 -10.807 1.00 0.00 C ATOM 751 CG GLU A 51 7.844 17.018 -11.524 1.00 0.00 C ATOM 752 CD GLU A 51 8.614 17.839 -12.540 1.00 0.00 C ATOM 753 OE1 GLU A 51 9.511 18.603 -12.127 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.319 17.718 -13.748 1.00 0.00 O ATOM 0 H GLU A 51 6.642 14.662 -11.454 1.00 0.00 H new ATOM 0 HA GLU A 51 8.647 14.443 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.482 16.534 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.240 15.397 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.028 16.498 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.392 17.686 -10.790 1.00 0.00 H new ATOM 761 N ASP A 52 5.937 16.261 -9.183 1.00 0.00 N ATOM 762 CA ASP A 52 5.094 17.055 -8.296 1.00 0.00 C ATOM 763 C ASP A 52 4.835 16.315 -6.988 1.00 0.00 C ATOM 764 O ASP A 52 4.733 16.929 -5.926 1.00 0.00 O ATOM 765 CB ASP A 52 3.768 17.388 -8.980 1.00 0.00 C ATOM 766 CG ASP A 52 2.869 18.249 -8.114 1.00 0.00 C ATOM 767 OD1 ASP A 52 3.279 19.378 -7.775 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.757 17.792 -7.775 1.00 0.00 O ATOM 0 H ASP A 52 5.496 16.006 -10.067 1.00 0.00 H new ATOM 0 HA ASP A 52 5.619 17.983 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.967 17.905 -9.919 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.249 16.463 -9.230 1.00 0.00 H new ATOM 773 N TRP A 53 4.728 14.994 -7.073 1.00 0.00 N ATOM 774 CA TRP A 53 4.478 14.170 -5.895 1.00 0.00 C ATOM 775 C TRP A 53 5.613 14.305 -4.886 1.00 0.00 C ATOM 776 O TRP A 53 6.741 13.872 -5.124 1.00 0.00 O ATOM 777 CB TRP A 53 4.310 12.704 -6.299 1.00 0.00 C ATOM 778 CG TRP A 53 3.572 12.525 -7.592 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.610 13.346 -8.107 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.736 11.457 -8.531 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.165 12.852 -9.309 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.841 11.695 -9.592 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.552 10.324 -8.580 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.741 10.840 -10.687 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.451 9.476 -9.667 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.552 9.739 -10.709 1.00 0.00 C ATOM 0 H TRP A 53 4.810 14.470 -7.944 1.00 0.00 H new ATOM 0 HA TRP A 53 3.557 14.518 -5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.294 12.243 -6.384 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.777 12.175 -5.509 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.252 14.251 -7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.447 13.278 -9.896 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.250 10.114 -7.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.047 11.039 -11.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.075 8.596 -9.714 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.498 9.059 -11.546 1.00 0.00 H new ATOM 797 N PRO A 54 5.311 14.918 -3.733 1.00 0.00 N ATOM 798 CA PRO A 54 6.293 15.124 -2.664 1.00 0.00 C ATOM 799 C PRO A 54 6.687 13.819 -1.980 1.00 0.00 C ATOM 800 O PRO A 54 5.836 12.979 -1.687 1.00 0.00 O ATOM 801 CB PRO A 54 5.563 16.042 -1.682 1.00 0.00 C ATOM 802 CG PRO A 54 4.116 15.775 -1.918 1.00 0.00 C ATOM 803 CD PRO A 54 3.987 15.459 -3.382 1.00 0.00 C ATOM 0 HA PRO A 54 7.226 15.540 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.843 15.822 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.807 17.089 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.768 14.942 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.511 16.641 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.195 14.734 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.749 16.348 -3.965 1.00 0.00 H new ATOM 811 N SER A 55 7.982 13.655 -1.729 1.00 0.00 N ATOM 812 CA SER A 55 8.489 12.450 -1.083 1.00 0.00 C ATOM 813 C SER A 55 8.127 12.436 0.399 1.00 0.00 C ATOM 814 O SER A 55 8.644 13.230 1.184 1.00 0.00 O ATOM 815 CB SER A 55 10.007 12.356 -1.249 1.00 0.00 C ATOM 816 OG SER A 55 10.347 11.708 -2.462 1.00 0.00 O ATOM 0 H SER A 55 8.699 14.341 -1.963 1.00 0.00 H new ATOM 0 HA SER A 55 8.025 11.588 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.441 13.356 -1.233 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.435 11.810 -0.409 1.00 0.00 H new ATOM 0 HG SER A 55 11.322 11.662 -2.546 1.00 0.00 H new ATOM 822 N VAL A 56 7.234 11.525 0.775 1.00 0.00 N ATOM 823 CA VAL A 56 6.802 11.405 2.162 1.00 0.00 C ATOM 824 C VAL A 56 7.207 10.058 2.749 1.00 0.00 C ATOM 825 O VAL A 56 7.629 9.156 2.026 1.00 0.00 O ATOM 826 CB VAL A 56 5.276 11.572 2.292 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.819 12.853 1.611 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.558 10.364 1.710 1.00 0.00 C ATOM 0 H VAL A 56 6.796 10.860 0.138 1.00 0.00 H new ATOM 0 HA VAL A 56 7.295 12.203 2.717 1.00 0.00 H new ATOM 0 HB VAL A 56 5.024 11.642 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.738 12.954 1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.309 13.708 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.082 12.817 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.481 10.498 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.815 10.261 0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.863 9.466 2.247 1.00 0.00 H new ATOM 838 N ASN A 57 7.074 9.927 4.065 1.00 0.00 N ATOM 839 CA ASN A 57 7.426 8.689 4.750 1.00 0.00 C ATOM 840 C ASN A 57 6.184 7.845 5.020 1.00 0.00 C ATOM 841 O ASN A 57 5.229 8.309 5.642 1.00 0.00 O ATOM 842 CB ASN A 57 8.144 8.995 6.066 1.00 0.00 C ATOM 843 CG ASN A 57 9.059 10.200 5.957 1.00 0.00 C ATOM 844 OD1 ASN A 57 9.709 10.410 4.933 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.114 10.998 7.018 1.00 0.00 N ATOM 0 H ASN A 57 6.725 10.663 4.678 1.00 0.00 H new ATOM 0 HA ASN A 57 8.095 8.123 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.405 9.172 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.727 8.125 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.713 11.824 7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.557 10.785 7.846 1.00 0.00 H new ATOM 852 N MET A 58 6.206 6.602 4.550 1.00 0.00 N ATOM 853 CA MET A 58 5.082 5.693 4.743 1.00 0.00 C ATOM 854 C MET A 58 5.271 4.855 6.003 1.00 0.00 C ATOM 855 O MET A 58 6.025 3.882 6.006 1.00 0.00 O ATOM 856 CB MET A 58 4.925 4.777 3.527 1.00 0.00 C ATOM 857 CG MET A 58 3.711 3.866 3.605 1.00 0.00 C ATOM 858 SD MET A 58 3.419 2.964 2.072 1.00 0.00 S ATOM 859 CE MET A 58 2.828 4.281 1.011 1.00 0.00 C ATOM 0 H MET A 58 6.989 6.201 4.033 1.00 0.00 H new ATOM 0 HA MET A 58 4.178 6.292 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.852 5.389 2.628 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.822 4.166 3.425 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.847 3.155 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.830 4.461 3.845 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.775 4.119 0.782 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.945 5.238 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.404 4.289 0.085 1.00 0.00 H new ATOM 869 N ASN A 59 4.582 5.239 7.073 1.00 0.00 N ATOM 870 CA ASN A 59 4.675 4.523 8.340 1.00 0.00 C ATOM 871 C ASN A 59 3.879 3.223 8.290 1.00 0.00 C ATOM 872 O ASN A 59 2.657 3.224 8.433 1.00 0.00 O ATOM 873 CB ASN A 59 4.166 5.402 9.485 1.00 0.00 C ATOM 874 CG ASN A 59 4.989 6.665 9.653 1.00 0.00 C ATOM 875 OD1 ASN A 59 4.669 7.688 8.869 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 5.900 6.720 10.479 1.00 0.00 N flip ATOM 0 H ASN A 59 3.953 6.042 7.088 1.00 0.00 H new ATOM 0 HA ASN A 59 5.723 4.280 8.515 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.126 5.671 9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.186 4.832 10.414 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.111 5.909 11.061 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.444 7.577 10.582 1.00 0.00 H new ATOM 883 N VAL A 60 4.582 2.113 8.086 1.00 0.00 N ATOM 884 CA VAL A 60 3.942 0.804 8.019 1.00 0.00 C ATOM 885 C VAL A 60 4.136 0.030 9.317 1.00 0.00 C ATOM 886 O VAL A 60 5.178 -0.588 9.534 1.00 0.00 O ATOM 887 CB VAL A 60 4.494 -0.031 6.848 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.814 -1.390 6.795 1.00 0.00 C ATOM 889 CG2 VAL A 60 4.320 0.714 5.533 1.00 0.00 C ATOM 0 H VAL A 60 5.595 2.094 7.964 1.00 0.00 H new ATOM 0 HA VAL A 60 2.878 0.980 7.861 1.00 0.00 H new ATOM 0 HB VAL A 60 5.560 -0.191 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.216 -1.966 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.996 -1.925 7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.741 -1.255 6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.716 0.109 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.261 0.907 5.361 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.859 1.661 5.577 1.00 0.00 H new ATOM 899 N ALA A 61 3.125 0.068 10.179 1.00 0.00 N ATOM 900 CA ALA A 61 3.183 -0.632 11.456 1.00 0.00 C ATOM 901 C ALA A 61 2.555 -2.017 11.352 1.00 0.00 C ATOM 902 O ALA A 61 1.970 -2.368 10.327 1.00 0.00 O ATOM 903 CB ALA A 61 2.490 0.184 12.538 1.00 0.00 C ATOM 0 H ALA A 61 2.256 0.576 10.016 1.00 0.00 H new ATOM 0 HA ALA A 61 4.232 -0.757 11.726 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.541 -0.351 13.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.986 1.150 12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.446 0.339 12.265 1.00 0.00 H new ATOM 909 N ASP A 62 2.679 -2.800 12.418 1.00 0.00 N ATOM 910 CA ASP A 62 2.123 -4.148 12.446 1.00 0.00 C ATOM 911 C ASP A 62 0.759 -4.187 11.764 1.00 0.00 C ATOM 912 O ASP A 62 0.614 -4.744 10.676 1.00 0.00 O ATOM 913 CB ASP A 62 2.000 -4.642 13.889 1.00 0.00 C ATOM 914 CG ASP A 62 1.844 -6.147 13.974 1.00 0.00 C ATOM 915 OD1 ASP A 62 2.301 -6.845 13.044 1.00 0.00 O ATOM 916 OD2 ASP A 62 1.265 -6.628 14.970 1.00 0.00 O ATOM 0 H ASP A 62 3.160 -2.524 13.274 1.00 0.00 H new ATOM 0 HA ASP A 62 2.801 -4.806 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.884 -4.339 14.450 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.142 -4.163 14.362 1.00 0.00 H new ATOM 921 N ALA A 63 -0.238 -3.593 12.411 1.00 0.00 N ATOM 922 CA ALA A 63 -1.590 -3.560 11.867 1.00 0.00 C ATOM 923 C ALA A 63 -2.066 -2.125 11.669 1.00 0.00 C ATOM 924 O ALA A 63 -3.208 -1.789 11.984 1.00 0.00 O ATOM 925 CB ALA A 63 -2.545 -4.314 12.779 1.00 0.00 C ATOM 0 H ALA A 63 -0.135 -3.128 13.313 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.575 -4.048 10.893 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.551 -4.281 12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.222 -5.351 12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.548 -3.851 13.766 1.00 0.00 H new ATOM 931 N THR A 64 -1.184 -1.280 11.145 1.00 0.00 N ATOM 932 CA THR A 64 -1.514 0.120 10.906 1.00 0.00 C ATOM 933 C THR A 64 -0.594 0.730 9.855 1.00 0.00 C ATOM 934 O THR A 64 0.563 0.330 9.720 1.00 0.00 O ATOM 935 CB THR A 64 -1.416 0.948 12.201 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.335 0.443 13.176 1.00 0.00 O ATOM 937 CG2 THR A 64 -1.712 2.415 11.929 1.00 0.00 C ATOM 0 H THR A 64 -0.235 -1.541 10.878 1.00 0.00 H new ATOM 0 HA THR A 64 -2.542 0.146 10.544 1.00 0.00 H new ATOM 0 HB THR A 64 -0.399 0.864 12.584 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.945 -0.196 12.751 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.637 2.980 12.858 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.992 2.804 11.209 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.719 2.514 11.525 1.00 0.00 H new ATOM 945 N VAL A 65 -1.114 1.703 9.113 1.00 0.00 N ATOM 946 CA VAL A 65 -0.338 2.370 8.075 1.00 0.00 C ATOM 947 C VAL A 65 -0.622 3.868 8.054 1.00 0.00 C ATOM 948 O VAL A 65 -1.683 4.305 7.607 1.00 0.00 O ATOM 949 CB VAL A 65 -0.640 1.783 6.683 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.134 2.531 5.608 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.314 0.297 6.651 1.00 0.00 C ATOM 0 H VAL A 65 -2.069 2.046 9.212 1.00 0.00 H new ATOM 0 HA VAL A 65 0.713 2.205 8.311 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.704 1.903 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.092 2.102 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.153 3.582 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.203 2.445 5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.533 -0.102 5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.743 0.151 6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.918 -0.224 7.394 1.00 0.00 H new ATOM 961 N THR A 66 0.335 4.653 8.541 1.00 0.00 N ATOM 962 CA THR A 66 0.188 6.102 8.580 1.00 0.00 C ATOM 963 C THR A 66 1.137 6.777 7.596 1.00 0.00 C ATOM 964 O THR A 66 2.252 6.306 7.370 1.00 0.00 O ATOM 965 CB THR A 66 0.453 6.656 9.992 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.383 5.989 10.944 1.00 0.00 O ATOM 967 CG2 THR A 66 0.194 8.154 10.043 1.00 0.00 C ATOM 0 H THR A 66 1.220 4.309 8.914 1.00 0.00 H new ATOM 0 HA THR A 66 -0.842 6.323 8.298 1.00 0.00 H new ATOM 0 HB THR A 66 1.499 6.476 10.239 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.208 6.345 11.840 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.388 8.523 11.050 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.852 8.661 9.338 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.844 8.353 9.777 1.00 0.00 H new ATOM 975 N VAL A 67 0.688 7.884 7.012 1.00 0.00 N ATOM 976 CA VAL A 67 1.499 8.625 6.053 1.00 0.00 C ATOM 977 C VAL A 67 1.940 9.966 6.627 1.00 0.00 C ATOM 978 O VAL A 67 1.145 10.901 6.729 1.00 0.00 O ATOM 979 CB VAL A 67 0.731 8.869 4.740 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.494 9.835 3.847 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.477 7.553 4.020 1.00 0.00 C ATOM 0 H VAL A 67 -0.233 8.287 7.186 1.00 0.00 H new ATOM 0 HA VAL A 67 2.378 8.016 5.844 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.233 9.318 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.936 9.995 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.621 10.786 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.473 9.417 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.066 7.744 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.429 7.075 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.114 6.897 4.659 1.00 0.00 H new ATOM 991 N ILE A 68 3.212 10.054 7.000 1.00 0.00 N ATOM 992 CA ILE A 68 3.760 11.282 7.563 1.00 0.00 C ATOM 993 C ILE A 68 4.621 12.018 6.542 1.00 0.00 C ATOM 994 O ILE A 68 5.186 11.407 5.635 1.00 0.00 O ATOM 995 CB ILE A 68 4.604 10.998 8.819 1.00 0.00 C ATOM 996 CG1 ILE A 68 3.755 10.300 9.884 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.192 12.290 9.366 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.553 9.830 11.080 1.00 0.00 C ATOM 0 H ILE A 68 3.883 9.289 6.923 1.00 0.00 H new ATOM 0 HA ILE A 68 2.912 11.908 7.839 1.00 0.00 H new ATOM 0 HB ILE A 68 5.425 10.336 8.544 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.977 10.984 10.223 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.253 9.444 9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.786 12.072 10.254 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.827 12.750 8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.385 12.975 9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.887 9.345 11.794 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.314 9.121 10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.034 10.685 11.555 1.00 0.00 H new ATOM 1010 N SER A 69 4.717 13.335 6.697 1.00 0.00 N ATOM 1011 CA SER A 69 5.507 14.156 5.787 1.00 0.00 C ATOM 1012 C SER A 69 6.998 14.009 6.079 1.00 0.00 C ATOM 1013 O SER A 69 7.389 13.574 7.161 1.00 0.00 O ATOM 1014 CB SER A 69 5.096 15.625 5.904 1.00 0.00 C ATOM 1015 OG SER A 69 5.595 16.382 4.815 1.00 0.00 O ATOM 0 H SER A 69 4.258 13.856 7.444 1.00 0.00 H new ATOM 0 HA SER A 69 5.317 13.813 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.009 15.700 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.472 16.038 6.840 1.00 0.00 H new ATOM 0 HG SER A 69 5.317 17.317 4.912 1.00 0.00 H new ATOM 1021 N GLU A 70 7.824 14.375 5.104 1.00 0.00 N ATOM 1022 CA GLU A 70 9.271 14.284 5.255 1.00 0.00 C ATOM 1023 C GLU A 70 9.789 15.364 6.200 1.00 0.00 C ATOM 1024 O GLU A 70 10.713 15.132 6.981 1.00 0.00 O ATOM 1025 CB GLU A 70 9.958 14.410 3.894 1.00 0.00 C ATOM 1026 CG GLU A 70 11.358 13.820 3.861 1.00 0.00 C ATOM 1027 CD GLU A 70 12.204 14.387 2.738 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.691 15.528 2.879 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.379 13.689 1.717 1.00 0.00 O ATOM 0 H GLU A 70 7.516 14.737 4.202 1.00 0.00 H new ATOM 0 HA GLU A 70 9.504 13.309 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.346 13.914 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.010 15.463 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.851 14.011 4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.290 12.738 3.749 1.00 0.00 H new ATOM 1036 N LYS A 71 9.188 16.546 6.124 1.00 0.00 N ATOM 1037 CA LYS A 71 9.585 17.664 6.971 1.00 0.00 C ATOM 1038 C LYS A 71 8.873 17.606 8.319 1.00 0.00 C ATOM 1039 O LYS A 71 9.513 17.563 9.368 1.00 0.00 O ATOM 1040 CB LYS A 71 9.277 18.993 6.277 1.00 0.00 C ATOM 1041 CG LYS A 71 10.177 19.280 5.088 1.00 0.00 C ATOM 1042 CD LYS A 71 11.580 19.664 5.530 1.00 0.00 C ATOM 1043 CE LYS A 71 12.612 19.324 4.465 1.00 0.00 C ATOM 1044 NZ LYS A 71 12.924 17.868 4.439 1.00 0.00 N ATOM 0 H LYS A 71 8.423 16.755 5.483 1.00 0.00 H new ATOM 0 HA LYS A 71 10.659 17.592 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.239 18.987 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.375 19.802 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.225 18.400 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.749 20.086 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.616 20.732 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.826 19.144 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.241 19.633 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.526 19.888 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.952 17.732 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.455 17.398 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.583 17.456 3.547 1.00 0.00 H new ATOM 1058 N ASN A 72 7.544 17.603 8.281 1.00 0.00 N ATOM 1059 CA ASN A 72 6.745 17.549 9.499 1.00 0.00 C ATOM 1060 C ASN A 72 6.635 16.117 10.015 1.00 0.00 C ATOM 1061 O ASN A 72 6.517 15.174 9.233 1.00 0.00 O ATOM 1062 CB ASN A 72 5.348 18.119 9.244 1.00 0.00 C ATOM 1063 CG ASN A 72 5.380 19.599 8.914 1.00 0.00 C ATOM 1064 OD1 ASN A 72 6.139 20.363 9.510 1.00 0.00 O ATOM 1065 ND2 ASN A 72 4.552 20.011 7.961 1.00 0.00 N ATOM 0 H ASN A 72 6.998 17.637 7.420 1.00 0.00 H new ATOM 0 HA ASN A 72 7.244 18.153 10.257 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.881 17.576 8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.727 17.959 10.125 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.528 20.996 7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.940 19.343 7.493 1.00 0.00 H new ATOM 1072 N GLU A 73 6.675 15.964 11.335 1.00 0.00 N ATOM 1073 CA GLU A 73 6.580 14.647 11.954 1.00 0.00 C ATOM 1074 C GLU A 73 5.170 14.395 12.482 1.00 0.00 C ATOM 1075 O GLU A 73 4.661 13.277 12.410 1.00 0.00 O ATOM 1076 CB GLU A 73 7.594 14.520 13.092 1.00 0.00 C ATOM 1077 CG GLU A 73 9.026 14.792 12.665 1.00 0.00 C ATOM 1078 CD GLU A 73 10.040 14.325 13.691 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.933 13.166 14.144 1.00 0.00 O ATOM 1080 OE2 GLU A 73 10.939 15.117 14.041 1.00 0.00 O ATOM 0 H GLU A 73 6.772 16.735 11.996 1.00 0.00 H new ATOM 0 HA GLU A 73 6.803 13.899 11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.323 15.214 13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.533 13.516 13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.219 14.292 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.153 15.861 12.494 1.00 0.00 H new ATOM 1087 N GLU A 74 4.548 15.442 13.014 1.00 0.00 N ATOM 1088 CA GLU A 74 3.198 15.333 13.556 1.00 0.00 C ATOM 1089 C GLU A 74 2.156 15.431 12.445 1.00 0.00 C ATOM 1090 O GLU A 74 0.981 15.135 12.656 1.00 0.00 O ATOM 1091 CB GLU A 74 2.953 16.427 14.597 1.00 0.00 C ATOM 1092 CG GLU A 74 3.078 17.836 14.041 1.00 0.00 C ATOM 1093 CD GLU A 74 2.246 18.842 14.812 1.00 0.00 C ATOM 1094 OE1 GLU A 74 2.240 18.776 16.059 1.00 0.00 O ATOM 1095 OE2 GLU A 74 1.600 19.696 14.169 1.00 0.00 O ATOM 0 H GLU A 74 4.956 16.374 13.081 1.00 0.00 H new ATOM 0 HA GLU A 74 3.104 14.358 14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.956 16.299 15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.663 16.304 15.415 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.124 18.141 14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.769 17.839 12.996 1.00 0.00 H new ATOM 1102 N GLU A 75 2.598 15.849 11.263 1.00 0.00 N ATOM 1103 CA GLU A 75 1.703 15.987 10.119 1.00 0.00 C ATOM 1104 C GLU A 75 1.210 14.622 9.646 1.00 0.00 C ATOM 1105 O GLU A 75 1.897 13.927 8.898 1.00 0.00 O ATOM 1106 CB GLU A 75 2.412 16.711 8.973 1.00 0.00 C ATOM 1107 CG GLU A 75 1.557 16.861 7.726 1.00 0.00 C ATOM 1108 CD GLU A 75 0.154 17.344 8.036 1.00 0.00 C ATOM 1109 OE1 GLU A 75 0.014 18.276 8.855 1.00 0.00 O ATOM 1110 OE2 GLU A 75 -0.805 16.789 7.459 1.00 0.00 O ATOM 0 H GLU A 75 3.569 16.098 11.072 1.00 0.00 H new ATOM 0 HA GLU A 75 0.841 16.576 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.719 17.700 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.320 16.166 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.036 17.563 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.502 15.902 7.210 1.00 0.00 H new ATOM 1117 N VAL A 76 0.015 14.245 10.089 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.571 12.965 9.712 1.00 0.00 C ATOM 1119 C VAL A 76 -1.335 13.076 8.397 1.00 0.00 C ATOM 1120 O VAL A 76 -2.566 13.118 8.383 1.00 0.00 O ATOM 1121 CB VAL A 76 -1.523 12.440 10.803 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -2.158 11.127 10.371 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -0.782 12.274 12.121 1.00 0.00 C ATOM 0 H VAL A 76 -0.566 14.808 10.710 1.00 0.00 H new ATOM 0 HA VAL A 76 0.254 12.263 9.592 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.319 13.171 10.949 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.827 10.771 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.724 11.282 9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.378 10.386 10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.470 11.902 12.881 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.035 11.564 11.992 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.379 13.237 12.436 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.598 13.124 7.293 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.206 13.230 5.971 1.00 0.00 C ATOM 1135 C LEU A 77 -2.415 12.308 5.852 1.00 0.00 C ATOM 1136 O LEU A 77 -3.558 12.764 5.838 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.181 12.889 4.888 1.00 0.00 C ATOM 1138 CG LEU A 77 1.070 13.768 4.847 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.164 13.101 4.027 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.738 15.141 4.281 1.00 0.00 C ATOM 0 H LEU A 77 0.421 13.091 7.287 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.542 14.258 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.131 11.854 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.674 12.948 3.918 1.00 0.00 H new ATOM 0 HG LEU A 77 1.435 13.896 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.046 13.741 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.421 12.141 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.810 12.942 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.640 15.753 4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.348 15.033 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.012 15.622 4.909 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.154 11.007 5.769 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.221 10.019 5.655 1.00 0.00 C ATOM 1154 C VAL A 78 -3.075 8.928 6.709 1.00 0.00 C ATOM 1155 O VAL A 78 -2.004 8.342 6.866 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.236 9.370 4.258 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.321 8.306 4.176 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.431 10.426 3.181 1.00 0.00 C ATOM 0 H VAL A 78 -1.213 10.613 5.779 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.161 10.548 5.813 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.273 8.888 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.317 7.858 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.131 7.535 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.293 8.762 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.439 9.949 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.379 10.940 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.615 11.147 3.227 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.159 8.661 7.430 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.151 7.640 8.471 1.00 0.00 C ATOM 1170 C GLU A 79 -4.873 6.380 8.003 1.00 0.00 C ATOM 1171 O GLU A 79 -6.101 6.298 8.059 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.808 8.173 9.746 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.590 7.287 10.960 1.00 0.00 C ATOM 1174 CD GLU A 79 -5.264 7.828 12.206 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -4.645 8.659 12.902 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -6.411 7.420 12.485 1.00 0.00 O ATOM 0 H GLU A 79 -5.053 9.137 7.313 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.113 7.385 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.416 9.168 9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.879 8.282 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.972 6.288 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.520 7.187 11.145 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.103 5.401 7.541 1.00 0.00 N ATOM 1184 CA CYS A 80 -4.668 4.145 7.061 1.00 0.00 C ATOM 1185 C CYS A 80 -4.436 3.024 8.068 1.00 0.00 C ATOM 1186 O CYS A 80 -3.431 3.014 8.780 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.056 3.769 5.710 1.00 0.00 C ATOM 1188 SG CYS A 80 -4.581 2.156 5.085 1.00 0.00 S ATOM 0 H CYS A 80 -3.086 5.453 7.489 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.742 4.282 6.939 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.319 4.533 4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.970 3.775 5.801 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.438 2.123 3.793 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.371 2.082 8.124 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.269 0.957 9.046 1.00 0.00 C ATOM 1196 C ARG A 81 -5.755 -0.331 8.389 1.00 0.00 C ATOM 1197 O ARG A 81 -6.882 -0.403 7.897 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.082 1.234 10.313 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.318 2.019 11.366 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.262 2.702 12.344 1.00 0.00 C ATOM 1201 NE ARG A 81 -5.556 3.618 13.237 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.148 4.616 13.883 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.449 4.825 13.738 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.438 5.407 14.678 1.00 0.00 N ATOM 0 H ARG A 81 -6.208 2.075 7.542 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.220 0.834 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.983 1.785 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.405 0.286 10.742 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.652 1.349 11.909 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.691 2.767 10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.023 3.251 11.790 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.780 1.947 12.935 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.554 3.484 13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.998 4.218 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.901 5.592 14.235 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.437 5.249 14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.893 6.173 15.174 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.898 -1.347 8.384 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.239 -2.633 7.787 1.00 0.00 C ATOM 1220 C VAL A 82 -6.720 -2.948 7.971 1.00 0.00 C ATOM 1221 O VAL A 82 -7.394 -3.376 7.035 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.403 -3.774 8.397 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -3.021 -3.820 7.764 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -4.302 -3.612 9.906 1.00 0.00 C ATOM 0 H VAL A 82 -3.962 -1.304 8.787 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.016 -2.558 6.723 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.904 -4.720 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.445 -4.632 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.118 -3.987 6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.509 -2.874 7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.708 -4.427 10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.825 -2.660 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.301 -3.633 10.342 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.219 -2.733 9.184 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.620 -2.994 9.491 1.00 0.00 C ATOM 1236 C ARG A 83 -9.529 -2.429 8.404 1.00 0.00 C ATOM 1237 O ARG A 83 -10.420 -3.117 7.906 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.989 -2.388 10.846 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.364 -3.113 12.028 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.499 -2.307 13.310 1.00 0.00 C ATOM 1241 NE ARG A 83 -7.382 -1.385 13.497 1.00 0.00 N ATOM 1242 CZ ARG A 83 -6.220 -1.737 14.034 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -6.022 -2.986 14.434 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -5.251 -0.841 14.170 1.00 0.00 N ATOM 0 H ARG A 83 -6.674 -2.379 9.970 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.762 -4.074 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.677 -1.344 10.865 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.073 -2.399 10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.843 -4.084 12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.310 -3.302 11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.433 -1.745 13.288 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.555 -2.986 14.161 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.501 -0.417 13.198 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.763 -3.679 14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.128 -3.254 14.846 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.398 0.120 13.862 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.359 -1.113 14.583 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.299 -1.171 8.042 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.098 -0.512 7.016 1.00 0.00 C ATOM 1260 C PHE A 84 -9.710 -1.004 5.625 1.00 0.00 C ATOM 1261 O PHE A 84 -10.545 -1.071 4.722 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.923 1.006 7.099 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.367 1.589 8.410 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -11.637 1.333 8.902 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -9.516 2.393 9.150 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -12.049 1.870 10.107 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -9.922 2.932 10.356 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.190 2.669 10.836 1.00 0.00 C ATOM 0 H PHE A 84 -8.565 -0.588 8.444 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.145 -0.760 7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.874 1.252 6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.488 1.474 6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.312 0.707 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.523 2.601 8.780 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.042 1.665 10.478 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.249 3.558 10.922 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.509 3.087 11.779 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.437 -1.347 5.459 1.00 0.00 N ATOM 1279 CA LEU A 85 -7.936 -1.833 4.178 1.00 0.00 C ATOM 1280 C LEU A 85 -8.857 -2.905 3.604 1.00 0.00 C ATOM 1281 O LEU A 85 -8.800 -4.067 4.006 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.522 -2.394 4.340 1.00 0.00 C ATOM 1283 CG LEU A 85 -5.623 -2.315 3.106 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.182 -2.635 3.474 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.121 -3.260 2.022 1.00 0.00 C ATOM 0 H LEU A 85 -7.733 -1.298 6.196 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.910 -0.993 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.033 -1.862 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.600 -3.438 4.642 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.660 -1.297 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.557 -2.574 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.828 -1.919 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.127 -3.642 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.469 -3.191 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.114 -4.283 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.137 -2.985 1.738 1.00 0.00 H new ATOM 1297 N SER A 86 -9.705 -2.506 2.662 1.00 0.00 N ATOM 1298 CA SER A 86 -10.641 -3.432 2.033 1.00 0.00 C ATOM 1299 C SER A 86 -9.935 -4.289 0.986 1.00 0.00 C ATOM 1300 O SER A 86 -10.105 -5.508 0.948 1.00 0.00 O ATOM 1301 CB SER A 86 -11.795 -2.664 1.387 1.00 0.00 C ATOM 1302 OG SER A 86 -11.360 -1.963 0.235 1.00 0.00 O ATOM 0 H SER A 86 -9.764 -1.548 2.317 1.00 0.00 H new ATOM 0 HA SER A 86 -11.040 -4.089 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.591 -3.358 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.216 -1.962 2.106 1.00 0.00 H new ATOM 0 HG SER A 86 -10.556 -1.445 0.451 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.143 -3.642 0.137 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.412 -4.343 -0.912 1.00 0.00 C ATOM 1310 C PHE A 87 -7.213 -3.524 -1.380 1.00 0.00 C ATOM 1311 O PHE A 87 -7.291 -2.301 -1.497 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.336 -4.639 -2.096 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.618 -5.202 -3.289 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.259 -6.539 -3.331 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.304 -4.393 -4.369 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.599 -7.060 -4.428 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.644 -4.908 -5.469 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.290 -6.243 -5.498 1.00 0.00 C ATOM 0 H PHE A 87 -8.991 -2.634 0.155 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.048 -5.284 -0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.105 -5.343 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.845 -3.721 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.498 -7.182 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.578 -3.348 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -7.325 -8.105 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.405 -4.267 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.773 -6.647 -6.356 1.00 0.00 H new ATOM 1328 N MET A 88 -6.105 -4.207 -1.645 1.00 0.00 N ATOM 1329 CA MET A 88 -4.889 -3.543 -2.101 1.00 0.00 C ATOM 1330 C MET A 88 -4.341 -4.214 -3.356 1.00 0.00 C ATOM 1331 O MET A 88 -4.566 -5.402 -3.586 1.00 0.00 O ATOM 1332 CB MET A 88 -3.830 -3.557 -0.997 1.00 0.00 C ATOM 1333 CG MET A 88 -3.239 -4.934 -0.740 1.00 0.00 C ATOM 1334 SD MET A 88 -1.911 -4.903 0.480 1.00 0.00 S ATOM 1335 CE MET A 88 -2.750 -5.579 1.911 1.00 0.00 C ATOM 0 H MET A 88 -6.023 -5.219 -1.552 1.00 0.00 H new ATOM 0 HA MET A 88 -5.138 -2.510 -2.342 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.027 -2.870 -1.266 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.274 -3.183 -0.074 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.027 -5.605 -0.397 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.858 -5.342 -1.676 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.027 -5.756 2.707 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.505 -4.873 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.230 -6.520 1.641 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.620 -3.446 -4.167 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.052 -3.984 -5.389 1.00 0.00 C ATOM 1347 C GLY A 89 -1.926 -3.126 -5.932 1.00 0.00 C ATOM 1348 O GLY A 89 -1.463 -2.201 -5.264 1.00 0.00 O ATOM 0 H GLY A 89 -3.419 -2.460 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.679 -4.991 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.835 -4.070 -6.143 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.482 -3.434 -7.146 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.403 -2.685 -7.779 1.00 0.00 C ATOM 1354 C VAL A 90 -0.739 -2.353 -9.228 1.00 0.00 C ATOM 1355 O VAL A 90 -1.402 -3.129 -9.915 1.00 0.00 O ATOM 1356 CB VAL A 90 0.923 -3.467 -7.737 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.948 -2.832 -8.664 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.453 -3.541 -6.313 1.00 0.00 C ATOM 0 H VAL A 90 -1.853 -4.198 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.288 -1.759 -7.215 1.00 0.00 H new ATOM 0 HB VAL A 90 0.736 -4.483 -8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.878 -3.399 -8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.567 -2.837 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.134 -1.805 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.390 -4.097 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.625 -2.533 -5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.724 -4.046 -5.679 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.277 -1.194 -9.688 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.539 -0.781 -11.054 1.00 0.00 C ATOM 1370 C GLY A 91 0.478 -1.334 -12.032 1.00 0.00 C ATOM 1371 O GLY A 91 1.547 -1.796 -11.633 1.00 0.00 O ATOM 0 H GLY A 91 0.274 -0.534 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.536 -1.112 -11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.536 0.308 -11.108 1.00 0.00 H new ATOM 1375 N LYS A 92 0.146 -1.288 -13.318 1.00 0.00 N ATOM 1376 CA LYS A 92 1.037 -1.788 -14.357 1.00 0.00 C ATOM 1377 C LYS A 92 2.496 -1.533 -13.993 1.00 0.00 C ATOM 1378 O LYS A 92 3.350 -2.404 -14.159 1.00 0.00 O ATOM 1379 CB LYS A 92 0.713 -1.127 -15.699 1.00 0.00 C ATOM 1380 CG LYS A 92 -0.316 -1.887 -16.518 1.00 0.00 C ATOM 1381 CD LYS A 92 -0.577 -1.209 -17.853 1.00 0.00 C ATOM 1382 CE LYS A 92 0.479 -1.580 -18.883 1.00 0.00 C ATOM 1383 NZ LYS A 92 1.678 -0.703 -18.789 1.00 0.00 N ATOM 0 H LYS A 92 -0.735 -0.909 -13.665 1.00 0.00 H new ATOM 0 HA LYS A 92 0.885 -2.864 -14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.347 -0.117 -15.518 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.631 -1.034 -16.280 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.033 -2.905 -16.688 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.248 -1.959 -15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.562 -1.495 -18.221 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.590 -0.128 -17.717 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.777 -2.619 -18.740 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.052 -1.506 -19.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.945 -0.377 -19.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.461 0.119 -18.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.467 -1.237 -18.372 1.00 0.00 H new ATOM 1397 N ASP A 93 2.775 -0.334 -13.493 1.00 0.00 N ATOM 1398 CA ASP A 93 4.131 0.035 -13.102 1.00 0.00 C ATOM 1399 C ASP A 93 4.459 -0.497 -11.711 1.00 0.00 C ATOM 1400 O ASP A 93 3.936 -0.009 -10.709 1.00 0.00 O ATOM 1401 CB ASP A 93 4.297 1.556 -13.132 1.00 0.00 C ATOM 1402 CG ASP A 93 4.284 2.112 -14.543 1.00 0.00 C ATOM 1403 OD1 ASP A 93 5.155 1.715 -15.345 1.00 0.00 O ATOM 1404 OD2 ASP A 93 3.403 2.943 -14.844 1.00 0.00 O ATOM 0 H ASP A 93 2.080 0.399 -13.349 1.00 0.00 H new ATOM 0 HA ASP A 93 4.823 -0.413 -13.815 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.495 2.018 -12.555 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.235 1.826 -12.647 1.00 0.00 H new ATOM 1409 N VAL A 94 5.327 -1.502 -11.657 1.00 0.00 N ATOM 1410 CA VAL A 94 5.725 -2.101 -10.389 1.00 0.00 C ATOM 1411 C VAL A 94 6.281 -1.050 -9.435 1.00 0.00 C ATOM 1412 O VAL A 94 6.390 -1.284 -8.231 1.00 0.00 O ATOM 1413 CB VAL A 94 6.783 -3.201 -10.596 1.00 0.00 C ATOM 1414 CG1 VAL A 94 6.252 -4.286 -11.520 1.00 0.00 C ATOM 1415 CG2 VAL A 94 8.071 -2.606 -11.145 1.00 0.00 C ATOM 0 H VAL A 94 5.768 -1.919 -12.477 1.00 0.00 H new ATOM 0 HA VAL A 94 4.830 -2.545 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 94 7.002 -3.655 -9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.013 -5.054 -11.654 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.359 -4.732 -11.082 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.002 -3.850 -12.487 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.807 -3.398 -11.285 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.870 -2.124 -12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.460 -1.869 -10.442 1.00 0.00 H new ATOM 1425 N HIS A 95 6.631 0.110 -9.981 1.00 0.00 N ATOM 1426 CA HIS A 95 7.175 1.200 -9.178 1.00 0.00 C ATOM 1427 C HIS A 95 6.055 2.028 -8.556 1.00 0.00 C ATOM 1428 O HIS A 95 6.227 3.216 -8.278 1.00 0.00 O ATOM 1429 CB HIS A 95 8.072 2.094 -10.034 1.00 0.00 C ATOM 1430 CG HIS A 95 9.064 1.333 -10.859 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.700 0.522 -11.913 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.413 1.266 -10.783 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.783 -0.014 -12.447 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.836 0.422 -11.780 1.00 0.00 N ATOM 0 H HIS A 95 6.548 0.320 -10.976 1.00 0.00 H new ATOM 0 HA HIS A 95 7.770 0.765 -8.375 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.447 2.695 -10.695 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.607 2.786 -9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 95 11.041 1.781 -10.071 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.804 -0.693 -13.286 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.806 0.172 -11.974 1.00 0.00 H new ATOM 1443 N THR A 96 4.907 1.395 -8.340 1.00 0.00 N ATOM 1444 CA THR A 96 3.758 2.073 -7.753 1.00 0.00 C ATOM 1445 C THR A 96 3.089 1.205 -6.694 1.00 0.00 C ATOM 1446 O THR A 96 3.329 0.000 -6.622 1.00 0.00 O ATOM 1447 CB THR A 96 2.718 2.447 -8.826 1.00 0.00 C ATOM 1448 OG1 THR A 96 2.090 1.264 -9.333 1.00 0.00 O ATOM 1449 CG2 THR A 96 3.370 3.210 -9.970 1.00 0.00 C ATOM 0 H THR A 96 4.748 0.412 -8.563 1.00 0.00 H new ATOM 0 HA THR A 96 4.133 2.984 -7.288 1.00 0.00 H new ATOM 0 HB THR A 96 1.967 3.088 -8.364 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.638 0.885 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.616 3.463 -10.715 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.822 4.125 -9.586 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.140 2.590 -10.429 1.00 0.00 H new ATOM 1457 N PHE A 97 2.248 1.825 -5.872 1.00 0.00 N ATOM 1458 CA PHE A 97 1.544 1.109 -4.816 1.00 0.00 C ATOM 1459 C PHE A 97 0.269 1.846 -4.415 1.00 0.00 C ATOM 1460 O PHE A 97 0.320 2.966 -3.910 1.00 0.00 O ATOM 1461 CB PHE A 97 2.451 0.936 -3.596 1.00 0.00 C ATOM 1462 CG PHE A 97 1.754 0.330 -2.411 1.00 0.00 C ATOM 1463 CD1 PHE A 97 1.095 -0.883 -2.524 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.758 0.974 -1.184 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.452 -1.442 -1.436 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.117 0.420 -0.092 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.464 -0.791 -0.218 1.00 0.00 C ATOM 0 H PHE A 97 2.038 2.822 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 97 1.269 0.126 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.298 0.307 -3.870 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.854 1.908 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.084 -1.398 -3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.268 1.920 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.060 -2.388 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.127 0.933 0.858 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.036 -1.228 0.634 1.00 0.00 H new ATOM 1477 N ALA A 98 -0.874 1.207 -4.645 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.162 1.800 -4.307 1.00 0.00 C ATOM 1479 C ALA A 98 -3.016 0.831 -3.497 1.00 0.00 C ATOM 1480 O ALA A 98 -3.100 -0.355 -3.816 1.00 0.00 O ATOM 1481 CB ALA A 98 -2.895 2.224 -5.571 1.00 0.00 C ATOM 0 H ALA A 98 -0.934 0.279 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.979 2.682 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.855 2.665 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.296 2.958 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.060 1.353 -6.206 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.649 1.344 -2.447 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.496 0.524 -1.589 1.00 0.00 C ATOM 1489 C PHE A 99 -5.836 1.207 -1.334 1.00 0.00 C ATOM 1490 O PHE A 99 -5.911 2.432 -1.234 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.793 0.244 -0.259 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.556 1.477 0.565 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.568 2.006 1.350 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.322 2.107 0.554 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.353 3.141 2.110 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.101 3.241 1.313 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.118 3.759 2.090 1.00 0.00 C ATOM 0 H PHE A 99 -3.591 2.324 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.681 -0.421 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.393 -0.460 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.837 -0.240 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.536 1.526 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.524 1.708 -0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.149 3.544 2.718 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.134 3.721 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.948 4.646 2.681 1.00 0.00 H new ATOM 1507 N ILE A 100 -6.892 0.407 -1.232 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.229 0.934 -0.989 1.00 0.00 C ATOM 1509 C ILE A 100 -8.622 0.780 0.476 1.00 0.00 C ATOM 1510 O ILE A 100 -8.688 -0.332 0.998 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.280 0.229 -1.867 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -8.980 0.467 -3.349 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.677 0.720 -1.518 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.682 -0.506 -4.271 1.00 0.00 C ATOM 0 H ILE A 100 -6.847 -0.609 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.203 1.993 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.234 -0.843 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.275 1.483 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.904 0.396 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.409 0.213 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.887 0.504 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.737 1.795 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.424 -0.278 -5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.368 -1.523 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.760 -0.419 -4.139 1.00 0.00 H new ATOM 1526 N MET A 101 -8.884 1.906 1.134 1.00 0.00 N ATOM 1527 CA MET A 101 -9.274 1.896 2.539 1.00 0.00 C ATOM 1528 C MET A 101 -10.669 2.485 2.720 1.00 0.00 C ATOM 1529 O MET A 101 -11.132 3.272 1.894 1.00 0.00 O ATOM 1530 CB MET A 101 -8.263 2.682 3.376 1.00 0.00 C ATOM 1531 CG MET A 101 -8.256 4.173 3.079 1.00 0.00 C ATOM 1532 SD MET A 101 -6.911 5.041 3.909 1.00 0.00 S ATOM 1533 CE MET A 101 -7.634 5.320 5.524 1.00 0.00 C ATOM 0 H MET A 101 -8.833 2.835 0.717 1.00 0.00 H new ATOM 0 HA MET A 101 -9.289 0.860 2.879 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.484 2.531 4.433 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.266 2.280 3.198 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.172 4.325 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.208 4.605 3.388 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.487 6.360 5.814 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.701 5.101 5.488 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.154 4.669 6.255 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.333 2.099 3.803 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.676 2.590 4.092 1.00 0.00 C ATOM 1545 C ASP A 102 -12.624 3.805 5.013 1.00 0.00 C ATOM 1546 O ASP A 102 -12.393 3.677 6.216 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.519 1.486 4.732 1.00 0.00 C ATOM 1548 CG ASP A 102 -14.829 2.006 5.288 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -15.385 2.960 4.704 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.300 1.460 6.308 1.00 0.00 O ATOM 0 H ASP A 102 -10.964 1.448 4.496 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.137 2.889 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.724 0.713 3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -12.949 1.016 5.533 1.00 0.00 H new ATOM 1555 N THR A 103 -12.838 4.985 4.440 1.00 0.00 N ATOM 1556 CA THR A 103 -12.813 6.223 5.209 1.00 0.00 C ATOM 1557 C THR A 103 -14.218 6.782 5.397 1.00 0.00 C ATOM 1558 O THR A 103 -14.443 7.984 5.260 1.00 0.00 O ATOM 1559 CB THR A 103 -11.935 7.290 4.527 1.00 0.00 C ATOM 1560 OG1 THR A 103 -12.472 7.616 3.240 1.00 0.00 O ATOM 1561 CG2 THR A 103 -10.504 6.798 4.375 1.00 0.00 C ATOM 0 H THR A 103 -13.031 5.109 3.446 1.00 0.00 H new ATOM 0 HA THR A 103 -12.388 5.981 6.183 1.00 0.00 H new ATOM 0 HB THR A 103 -11.931 8.181 5.155 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.910 8.296 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.904 7.569 3.891 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.088 6.579 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.493 5.894 3.766 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.451 4.667 0.353 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.501 5.456 -0.423 1.00 0.00 C ATOM 1609 C ARG A 107 -16.072 5.203 0.047 1.00 0.00 C ATOM 1610 O ARG A 107 -15.637 5.745 1.063 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.831 6.946 -0.311 1.00 0.00 C ATOM 1612 CG ARG A 107 -18.851 7.423 -1.332 1.00 0.00 C ATOM 1613 CD ARG A 107 -19.385 8.803 -0.982 1.00 0.00 C ATOM 1614 NE ARG A 107 -20.121 9.402 -2.092 1.00 0.00 N ATOM 1615 CZ ARG A 107 -20.372 10.703 -2.190 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -19.948 11.536 -1.250 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -21.048 11.172 -3.231 1.00 0.00 N ATOM 0 HA ARG A 107 -17.581 5.151 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -18.209 7.151 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.914 7.522 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.393 7.449 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.677 6.714 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -20.038 8.729 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.555 9.453 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.461 8.788 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.428 11.179 -0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.142 12.534 -1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -21.375 10.534 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.241 12.171 -3.306 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.347 4.376 -0.698 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.967 4.050 -0.357 1.00 0.00 C ATOM 1633 C PHE A 108 -12.991 4.843 -1.221 1.00 0.00 C ATOM 1634 O PHE A 108 -13.242 5.077 -2.402 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.717 2.550 -0.531 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.799 1.690 0.057 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.337 1.984 1.300 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.277 0.587 -0.632 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.333 1.195 1.844 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.272 -0.206 -0.093 1.00 0.00 C ATOM 1641 CZ PHE A 108 -16.800 0.098 1.147 1.00 0.00 C ATOM 0 H PHE A 108 -15.692 3.919 -1.542 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.803 4.320 0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.623 2.326 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.766 2.292 -0.066 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.974 2.840 1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.867 0.344 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.745 1.436 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.637 -1.063 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.577 -0.521 1.571 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.878 5.254 -0.621 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.865 6.022 -1.335 1.00 0.00 C ATOM 1653 C GLU A 109 -9.650 5.156 -1.654 1.00 0.00 C ATOM 1654 O GLU A 109 -9.406 4.143 -0.997 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.436 7.236 -0.508 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.602 8.049 0.028 1.00 0.00 C ATOM 1657 CD GLU A 109 -12.423 8.689 -1.074 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -11.873 8.907 -2.174 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -13.616 8.971 -0.837 1.00 0.00 O ATOM 0 H GLU A 109 -11.655 5.068 0.357 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.301 6.366 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.825 6.898 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.807 7.880 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.245 7.404 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.223 8.826 0.692 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.892 5.560 -2.667 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.703 4.821 -3.076 1.00 0.00 C ATOM 1668 C CYS A 110 -6.473 5.723 -3.068 1.00 0.00 C ATOM 1669 O CYS A 110 -6.355 6.638 -3.883 1.00 0.00 O ATOM 1670 CB CYS A 110 -7.903 4.223 -4.469 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.533 3.185 -5.030 1.00 0.00 S ATOM 0 H CYS A 110 -9.080 6.396 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.543 4.013 -2.362 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.818 3.631 -4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.047 5.034 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.693 2.897 -6.288 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.558 5.459 -2.140 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.337 6.247 -2.024 1.00 0.00 C ATOM 1679 C HIS A 111 -3.206 5.619 -2.833 1.00 0.00 C ATOM 1680 O HIS A 111 -2.946 4.420 -2.729 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.922 6.373 -0.558 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.922 7.099 0.287 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.782 6.645 1.229 1.00 0.00 N flip ATOM 1684 CD2 HIS A 111 -5.124 8.461 0.212 1.00 0.00 C flip ATOM 1685 CE1 HIS A 111 -6.478 7.730 1.702 1.00 0.00 C flip ATOM 1686 NE2 HIS A 111 -6.062 8.814 1.072 1.00 0.00 N flip ATOM 0 H HIS A 111 -5.640 4.705 -1.458 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.537 7.241 -2.423 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.766 5.376 -0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.966 6.894 -0.503 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -5.892 5.677 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.597 9.134 -0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.242 7.702 2.465 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.536 6.436 -3.640 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.433 5.960 -4.466 1.00 0.00 C ATOM 1696 C VAL A 112 -0.097 6.485 -3.954 1.00 0.00 C ATOM 1697 O VAL A 112 0.015 7.645 -3.555 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.610 6.385 -5.936 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.513 5.783 -6.801 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -2.985 5.980 -6.446 1.00 0.00 C ATOM 0 H VAL A 112 -2.738 7.431 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.439 4.872 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.532 7.471 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.654 6.094 -7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.459 6.127 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.557 4.696 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.093 6.288 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.095 4.898 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.754 6.463 -5.843 1.00 0.00 H new ATOM 1710 N PHE A 113 0.916 5.625 -3.969 1.00 0.00 N ATOM 1711 CA PHE A 113 2.246 6.002 -3.506 1.00 0.00 C ATOM 1712 C PHE A 113 3.326 5.338 -4.356 1.00 0.00 C ATOM 1713 O PHE A 113 3.405 4.112 -4.432 1.00 0.00 O ATOM 1714 CB PHE A 113 2.427 5.613 -2.037 1.00 0.00 C ATOM 1715 CG PHE A 113 1.417 6.243 -1.121 1.00 0.00 C ATOM 1716 CD1 PHE A 113 1.578 7.549 -0.685 1.00 0.00 C ATOM 1717 CD2 PHE A 113 0.307 5.531 -0.697 1.00 0.00 C ATOM 1718 CE1 PHE A 113 0.651 8.131 0.158 1.00 0.00 C ATOM 1719 CE2 PHE A 113 -0.624 6.109 0.146 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.452 7.411 0.573 1.00 0.00 C ATOM 0 H PHE A 113 0.841 4.662 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 113 2.345 7.083 -3.603 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.362 4.529 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.428 5.900 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.437 8.118 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.167 4.513 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.789 9.149 0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.485 5.543 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.179 7.865 1.230 1.00 0.00 H new ATOM 1730 N TRP A 114 4.154 6.158 -4.993 1.00 0.00 N ATOM 1731 CA TRP A 114 5.230 5.651 -5.839 1.00 0.00 C ATOM 1732 C TRP A 114 6.370 5.094 -4.994 1.00 0.00 C ATOM 1733 O TRP A 114 6.911 5.787 -4.130 1.00 0.00 O ATOM 1734 CB TRP A 114 5.751 6.760 -6.755 1.00 0.00 C ATOM 1735 CG TRP A 114 6.747 6.276 -7.765 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.084 6.079 -7.568 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.486 5.931 -9.129 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.669 5.632 -8.728 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.710 5.532 -9.700 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.336 5.918 -9.924 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.815 5.127 -11.028 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.442 5.516 -11.242 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.673 5.124 -11.783 1.00 0.00 C ATOM 0 H TRP A 114 4.102 7.175 -4.940 1.00 0.00 H new ATOM 0 HA TRP A 114 4.829 4.843 -6.451 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.909 7.217 -7.275 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.210 7.539 -6.146 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.605 6.249 -6.637 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.658 5.411 -8.846 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.382 6.217 -9.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.764 4.826 -11.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.560 5.504 -11.866 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.722 4.813 -12.816 1.00 0.00 H new ATOM 1754 N CYS A 115 6.732 3.842 -5.247 1.00 0.00 N ATOM 1755 CA CYS A 115 7.809 3.192 -4.509 1.00 0.00 C ATOM 1756 C CYS A 115 9.098 3.182 -5.324 1.00 0.00 C ATOM 1757 O CYS A 115 9.075 3.364 -6.540 1.00 0.00 O ATOM 1758 CB CYS A 115 7.412 1.761 -4.141 1.00 0.00 C ATOM 1759 SG CYS A 115 5.919 1.646 -3.128 1.00 0.00 S ATOM 0 H CYS A 115 6.295 3.256 -5.958 1.00 0.00 H new ATOM 0 HA CYS A 115 7.984 3.759 -3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.261 1.190 -5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.238 1.292 -3.606 1.00 0.00 H new ATOM 0 HG CYS A 115 5.664 0.397 -2.871 1.00 0.00 H new ATOM 1765 N GLU A 116 10.220 2.971 -4.643 1.00 0.00 N ATOM 1766 CA GLU A 116 11.519 2.940 -5.305 1.00 0.00 C ATOM 1767 C GLU A 116 12.453 1.944 -4.624 1.00 0.00 C ATOM 1768 O GLU A 116 12.659 1.977 -3.410 1.00 0.00 O ATOM 1769 CB GLU A 116 12.152 4.334 -5.300 1.00 0.00 C ATOM 1770 CG GLU A 116 11.330 5.377 -6.039 1.00 0.00 C ATOM 1771 CD GLU A 116 11.662 5.443 -7.517 1.00 0.00 C ATOM 1772 OE1 GLU A 116 11.431 4.437 -8.221 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.153 6.498 -7.969 1.00 0.00 O ATOM 0 H GLU A 116 10.256 2.819 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 116 11.365 2.622 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.291 4.657 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.142 4.276 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.271 5.151 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.501 6.355 -5.588 1.00 0.00 H new ATOM 1780 N PRO A 117 13.033 1.035 -5.423 1.00 0.00 N ATOM 1781 CA PRO A 117 12.795 0.986 -6.868 1.00 0.00 C ATOM 1782 C PRO A 117 11.381 0.527 -7.208 1.00 0.00 C ATOM 1783 O PRO A 117 10.678 1.175 -7.983 1.00 0.00 O ATOM 1784 CB PRO A 117 13.822 -0.036 -7.362 1.00 0.00 C ATOM 1785 CG PRO A 117 14.090 -0.904 -6.182 1.00 0.00 C ATOM 1786 CD PRO A 117 13.964 -0.014 -4.976 1.00 0.00 C ATOM 0 HA PRO A 117 12.894 1.968 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.433 -0.615 -8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.732 0.453 -7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.379 -1.729 -6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.085 -1.345 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.574 -0.557 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.927 0.402 -4.681 1.00 0.00 H new ATOM 1794 N ASN A 118 10.970 -0.593 -6.622 1.00 0.00 N ATOM 1795 CA ASN A 118 9.639 -1.138 -6.864 1.00 0.00 C ATOM 1796 C ASN A 118 8.849 -1.238 -5.563 1.00 0.00 C ATOM 1797 O ASN A 118 9.320 -0.824 -4.504 1.00 0.00 O ATOM 1798 CB ASN A 118 9.741 -2.517 -7.519 1.00 0.00 C ATOM 1799 CG ASN A 118 10.999 -3.259 -7.111 1.00 0.00 C ATOM 1800 OD1 ASN A 118 12.085 -2.995 -7.628 1.00 0.00 O ATOM 1801 ND2 ASN A 118 10.857 -4.195 -6.179 1.00 0.00 N ATOM 0 H ASN A 118 11.539 -1.141 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 118 9.113 -0.462 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.868 -3.111 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.725 -2.404 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.667 -4.728 -5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 118 9.938 -4.380 -5.778 1.00 0.00 H new ATOM 1808 N ALA A 119 7.644 -1.792 -5.650 1.00 0.00 N ATOM 1809 CA ALA A 119 6.789 -1.950 -4.481 1.00 0.00 C ATOM 1810 C ALA A 119 6.795 -3.392 -3.986 1.00 0.00 C ATOM 1811 O ALA A 119 5.751 -3.943 -3.637 1.00 0.00 O ATOM 1812 CB ALA A 119 5.369 -1.506 -4.801 1.00 0.00 C ATOM 0 H ALA A 119 7.238 -2.139 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 119 7.185 -1.319 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.741 -1.630 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.374 -0.457 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.973 -2.112 -5.616 1.00 0.00 H new ATOM 1818 N ALA A 120 7.977 -3.999 -3.960 1.00 0.00 N ATOM 1819 CA ALA A 120 8.119 -5.377 -3.508 1.00 0.00 C ATOM 1820 C ALA A 120 8.037 -5.467 -1.988 1.00 0.00 C ATOM 1821 O ALA A 120 7.303 -6.291 -1.444 1.00 0.00 O ATOM 1822 CB ALA A 120 9.433 -5.963 -4.003 1.00 0.00 C ATOM 0 H ALA A 120 8.851 -3.557 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 120 7.296 -5.957 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.525 -6.993 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.453 -5.943 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.264 -5.374 -3.614 1.00 0.00 H new ATOM 1828 N ASN A 121 8.796 -4.614 -1.307 1.00 0.00 N ATOM 1829 CA ASN A 121 8.810 -4.598 0.151 1.00 0.00 C ATOM 1830 C ASN A 121 7.556 -3.926 0.700 1.00 0.00 C ATOM 1831 O ASN A 121 6.769 -4.545 1.416 1.00 0.00 O ATOM 1832 CB ASN A 121 10.057 -3.873 0.662 1.00 0.00 C ATOM 1833 CG ASN A 121 11.313 -4.293 -0.076 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.603 -3.795 -1.164 1.00 0.00 O ATOM 1835 ND2 ASN A 121 12.066 -5.214 0.514 1.00 0.00 N ATOM 0 H ASN A 121 9.409 -3.925 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 121 8.829 -5.630 0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 121 9.918 -2.797 0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.180 -4.074 1.726 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.923 -5.536 0.065 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.787 -5.599 1.416 1.00 0.00 H new ATOM 1842 N VAL A 122 7.375 -2.654 0.358 1.00 0.00 N ATOM 1843 CA VAL A 122 6.216 -1.897 0.814 1.00 0.00 C ATOM 1844 C VAL A 122 4.969 -2.773 0.858 1.00 0.00 C ATOM 1845 O VAL A 122 4.279 -2.838 1.875 1.00 0.00 O ATOM 1846 CB VAL A 122 5.945 -0.683 -0.095 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.682 0.042 0.345 1.00 0.00 C ATOM 1848 CG2 VAL A 122 7.138 0.260 -0.094 1.00 0.00 C ATOM 0 H VAL A 122 8.017 -2.126 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 122 6.445 -1.545 1.820 1.00 0.00 H new ATOM 0 HB VAL A 122 5.794 -1.040 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.507 0.897 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.833 -0.639 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.800 0.389 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.929 1.112 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.323 0.612 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.019 -0.267 -0.461 1.00 0.00 H new ATOM 1858 N SER A 123 4.688 -3.448 -0.252 1.00 0.00 N ATOM 1859 CA SER A 123 3.522 -4.319 -0.341 1.00 0.00 C ATOM 1860 C SER A 123 3.659 -5.509 0.604 1.00 0.00 C ATOM 1861 O SER A 123 2.689 -5.927 1.235 1.00 0.00 O ATOM 1862 CB SER A 123 3.338 -4.814 -1.778 1.00 0.00 C ATOM 1863 OG SER A 123 2.860 -3.776 -2.617 1.00 0.00 O ATOM 0 H SER A 123 5.251 -3.409 -1.101 1.00 0.00 H new ATOM 0 HA SER A 123 2.645 -3.742 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.287 -5.188 -2.162 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.637 -5.649 -1.792 1.00 0.00 H new ATOM 0 HG SER A 123 2.255 -3.197 -2.108 1.00 0.00 H new ATOM 1869 N GLU A 124 4.870 -6.048 0.696 1.00 0.00 N ATOM 1870 CA GLU A 124 5.134 -7.190 1.564 1.00 0.00 C ATOM 1871 C GLU A 124 4.821 -6.851 3.018 1.00 0.00 C ATOM 1872 O GLU A 124 4.240 -7.659 3.743 1.00 0.00 O ATOM 1873 CB GLU A 124 6.594 -7.630 1.434 1.00 0.00 C ATOM 1874 CG GLU A 124 6.971 -8.768 2.368 1.00 0.00 C ATOM 1875 CD GLU A 124 8.165 -9.560 1.871 1.00 0.00 C ATOM 1876 OE1 GLU A 124 8.382 -9.597 0.642 1.00 0.00 O ATOM 1877 OE2 GLU A 124 8.882 -10.141 2.711 1.00 0.00 O ATOM 0 H GLU A 124 5.684 -5.713 0.181 1.00 0.00 H new ATOM 0 HA GLU A 124 4.486 -8.009 1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.782 -7.938 0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.241 -6.776 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.194 -8.364 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.118 -9.437 2.482 1.00 0.00 H new ATOM 1884 N ALA A 125 5.210 -5.652 3.438 1.00 0.00 N ATOM 1885 CA ALA A 125 4.970 -5.206 4.804 1.00 0.00 C ATOM 1886 C ALA A 125 3.476 -5.124 5.101 1.00 0.00 C ATOM 1887 O ALA A 125 2.992 -5.716 6.065 1.00 0.00 O ATOM 1888 CB ALA A 125 5.631 -3.856 5.043 1.00 0.00 C ATOM 0 H ALA A 125 5.693 -4.972 2.851 1.00 0.00 H new ATOM 0 HA ALA A 125 5.409 -5.939 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.443 -3.535 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.705 -3.943 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.218 -3.121 4.352 1.00 0.00 H new ATOM 1894 N VAL A 126 2.751 -4.387 4.266 1.00 0.00 N ATOM 1895 CA VAL A 126 1.312 -4.229 4.438 1.00 0.00 C ATOM 1896 C VAL A 126 0.594 -5.568 4.321 1.00 0.00 C ATOM 1897 O VAL A 126 -0.311 -5.869 5.099 1.00 0.00 O ATOM 1898 CB VAL A 126 0.726 -3.252 3.402 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.069 -3.703 1.990 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.779 -3.126 3.579 1.00 0.00 C ATOM 0 H VAL A 126 3.137 -3.890 3.463 1.00 0.00 H new ATOM 0 HA VAL A 126 1.156 -3.823 5.437 1.00 0.00 H new ATOM 0 HB VAL A 126 1.170 -2.270 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.647 -3.001 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.152 -3.736 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.654 -4.696 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.176 -2.432 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.244 -4.103 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.998 -2.753 4.580 1.00 0.00 H new ATOM 1910 N GLN A 127 1.004 -6.369 3.342 1.00 0.00 N ATOM 1911 CA GLN A 127 0.398 -7.678 3.123 1.00 0.00 C ATOM 1912 C GLN A 127 0.303 -8.460 4.429 1.00 0.00 C ATOM 1913 O GLN A 127 -0.774 -8.910 4.817 1.00 0.00 O ATOM 1914 CB GLN A 127 1.209 -8.472 2.097 1.00 0.00 C ATOM 1915 CG GLN A 127 0.464 -9.670 1.530 1.00 0.00 C ATOM 1916 CD GLN A 127 -0.310 -9.334 0.271 1.00 0.00 C ATOM 1917 OE1 GLN A 127 -1.388 -8.574 0.424 1.00 0.00 O flip ATOM 1918 NE2 GLN A 127 0.056 -9.752 -0.828 1.00 0.00 N flip ATOM 0 H GLN A 127 1.752 -6.135 2.689 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.611 -7.524 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 127 1.492 -7.810 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 127 2.132 -8.816 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 127 1.176 -10.466 1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.224 -10.055 2.283 1.00 0.00 H new ATOM 0 HE21 GLN A 127 0.891 -10.334 -0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -0.476 -9.517 -1.666 1.00 0.00 H new ATOM 1927 N ALA A 128 1.438 -8.617 5.103 1.00 0.00 N ATOM 1928 CA ALA A 128 1.482 -9.343 6.366 1.00 0.00 C ATOM 1929 C ALA A 128 0.775 -8.565 7.471 1.00 0.00 C ATOM 1930 O ALA A 128 0.090 -9.147 8.311 1.00 0.00 O ATOM 1931 CB ALA A 128 2.923 -9.630 6.759 1.00 0.00 C ATOM 0 H ALA A 128 2.339 -8.251 4.795 1.00 0.00 H new ATOM 0 HA ALA A 128 0.958 -10.289 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.941 -10.173 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.398 -10.233 5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.464 -8.690 6.870 1.00 0.00 H new ATOM 1937 N ALA A 129 0.947 -7.247 7.463 1.00 0.00 N ATOM 1938 CA ALA A 129 0.324 -6.390 8.465 1.00 0.00 C ATOM 1939 C ALA A 129 -1.142 -6.759 8.667 1.00 0.00 C ATOM 1940 O ALA A 129 -1.642 -6.757 9.792 1.00 0.00 O ATOM 1941 CB ALA A 129 0.452 -4.929 8.061 1.00 0.00 C ATOM 0 H ALA A 129 1.512 -6.750 6.775 1.00 0.00 H new ATOM 0 HA ALA A 129 0.843 -6.541 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.017 -4.300 8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.506 -4.667 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.041 -4.772 7.102 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.825 -7.073 7.572 1.00 0.00 N ATOM 1948 CA CYS A 130 -3.235 -7.442 7.630 1.00 0.00 C ATOM 1949 C CYS A 130 -3.458 -8.585 8.615 1.00 0.00 C ATOM 1950 O CYS A 130 -4.423 -8.580 9.378 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.735 -7.844 6.242 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.625 -6.528 5.007 1.00 0.00 S ATOM 0 H CYS A 130 -1.426 -7.080 6.633 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.799 -6.575 7.975 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -3.159 -8.702 5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.773 -8.167 6.321 1.00 0.00 H new ATOM 0 HG CYS A 130 -2.391 -6.134 4.902 1.00 0.00 H new ATOM 2337 N HIS A 163 5.955 -12.079 -6.846 1.00 0.00 N ATOM 2338 CA HIS A 163 5.020 -11.615 -5.828 1.00 0.00 C ATOM 2339 C HIS A 163 4.261 -10.382 -6.309 1.00 0.00 C ATOM 2340 O HIS A 163 3.038 -10.307 -6.190 1.00 0.00 O ATOM 2341 CB HIS A 163 5.762 -11.297 -4.530 1.00 0.00 C ATOM 2342 CG HIS A 163 5.074 -10.273 -3.681 1.00 0.00 C ATOM 2343 ND1 HIS A 163 4.128 -10.596 -2.731 1.00 0.00 N ATOM 2344 CD2 HIS A 163 5.199 -8.926 -3.642 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.701 -9.492 -2.146 1.00 0.00 C ATOM 2346 NE2 HIS A 163 4.335 -8.464 -2.680 1.00 0.00 N ATOM 0 HA HIS A 163 4.301 -12.412 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.879 -12.215 -3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.764 -10.942 -4.772 1.00 0.00 H new ATOM 0 HD2 HIS A 163 5.856 -8.326 -4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.959 -9.439 -1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 163 4.204 -7.486 -2.420 1.00 0.00 H new ATOM 2354 N LEU A 164 4.995 -9.416 -6.852 1.00 0.00 N ATOM 2355 CA LEU A 164 4.392 -8.185 -7.351 1.00 0.00 C ATOM 2356 C LEU A 164 3.281 -8.489 -8.350 1.00 0.00 C ATOM 2357 O LEU A 164 2.189 -7.927 -8.270 1.00 0.00 O ATOM 2358 CB LEU A 164 5.455 -7.302 -8.005 1.00 0.00 C ATOM 2359 CG LEU A 164 6.297 -6.449 -7.056 1.00 0.00 C ATOM 2360 CD1 LEU A 164 7.684 -6.215 -7.635 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.604 -5.123 -6.774 1.00 0.00 C ATOM 0 H LEU A 164 6.008 -9.462 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 164 3.958 -7.653 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.126 -7.941 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 164 4.961 -6.639 -8.715 1.00 0.00 H new ATOM 0 HG LEU A 164 6.406 -6.987 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.268 -5.606 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.182 -7.173 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.597 -5.698 -8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.217 -4.529 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.464 -4.580 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.633 -5.310 -6.315 1.00 0.00 H new ATOM 2373 N SER A 165 3.567 -9.383 -9.291 1.00 0.00 N ATOM 2374 CA SER A 165 2.593 -9.761 -10.308 1.00 0.00 C ATOM 2375 C SER A 165 1.296 -10.243 -9.665 1.00 0.00 C ATOM 2376 O SER A 165 0.219 -9.711 -9.937 1.00 0.00 O ATOM 2377 CB SER A 165 3.165 -10.856 -11.211 1.00 0.00 C ATOM 2378 OG SER A 165 2.339 -11.067 -12.343 1.00 0.00 O ATOM 0 H SER A 165 4.466 -9.859 -9.370 1.00 0.00 H new ATOM 0 HA SER A 165 2.374 -8.880 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 165 4.168 -10.577 -11.535 1.00 0.00 H new ATOM 0 HB3 SER A 165 3.259 -11.784 -10.647 1.00 0.00 H new ATOM 0 HG SER A 165 2.727 -11.770 -12.905 1.00 0.00 H new ATOM 2384 N LYS A 166 1.406 -11.255 -8.811 1.00 0.00 N ATOM 2385 CA LYS A 166 0.245 -11.810 -8.127 1.00 0.00 C ATOM 2386 C LYS A 166 -0.686 -10.700 -7.647 1.00 0.00 C ATOM 2387 O LYS A 166 -1.904 -10.868 -7.619 1.00 0.00 O ATOM 2388 CB LYS A 166 0.688 -12.668 -6.940 1.00 0.00 C ATOM 2389 CG LYS A 166 1.332 -13.982 -7.346 1.00 0.00 C ATOM 2390 CD LYS A 166 1.827 -14.757 -6.136 1.00 0.00 C ATOM 2391 CE LYS A 166 2.963 -15.699 -6.506 1.00 0.00 C ATOM 2392 NZ LYS A 166 2.465 -16.935 -7.172 1.00 0.00 N ATOM 0 H LYS A 166 2.289 -11.708 -8.576 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.299 -12.435 -8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.394 -12.099 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -0.177 -12.876 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.611 -14.587 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.166 -13.787 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 166 2.166 -14.060 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 166 1.004 -15.328 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 166 3.660 -15.185 -7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 166 3.518 -15.969 -5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 3.269 -17.550 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 1.820 -17.439 -6.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 1.957 -16.680 -8.043 1.00 0.00 H new ATOM 2406 N MET A 167 -0.102 -9.567 -7.271 1.00 0.00 N ATOM 2407 CA MET A 167 -0.880 -8.429 -6.795 1.00 0.00 C ATOM 2408 C MET A 167 -1.612 -7.749 -7.948 1.00 0.00 C ATOM 2409 O MET A 167 -2.825 -7.554 -7.895 1.00 0.00 O ATOM 2410 CB MET A 167 0.029 -7.422 -6.088 1.00 0.00 C ATOM 2411 CG MET A 167 0.763 -8.002 -4.890 1.00 0.00 C ATOM 2412 SD MET A 167 1.076 -6.776 -3.606 1.00 0.00 S ATOM 2413 CE MET A 167 -0.276 -7.111 -2.480 1.00 0.00 C ATOM 0 H MET A 167 0.906 -9.412 -7.287 1.00 0.00 H new ATOM 0 HA MET A 167 -1.621 -8.799 -6.086 1.00 0.00 H new ATOM 0 HB2 MET A 167 0.760 -7.041 -6.802 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.570 -6.572 -5.760 1.00 0.00 H new ATOM 0 HG2 MET A 167 0.177 -8.820 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.711 -8.426 -5.220 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.971 -6.271 -2.485 1.00 0.00 H new ATOM 0 HE2 MET A 167 -0.797 -8.015 -2.796 1.00 0.00 H new ATOM 0 HE3 MET A 167 0.116 -7.251 -1.473 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.864 -7.392 -8.987 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.443 -6.733 -10.153 1.00 0.00 C ATOM 2425 C GLN A 168 -2.309 -7.702 -10.952 1.00 0.00 C ATOM 2426 O GLN A 168 -3.065 -7.291 -11.831 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.338 -6.164 -11.044 1.00 0.00 C ATOM 2428 CG GLN A 168 0.783 -7.151 -11.329 1.00 0.00 C ATOM 2429 CD GLN A 168 1.571 -6.794 -12.574 1.00 0.00 C ATOM 2430 OE1 GLN A 168 1.458 -7.457 -13.605 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.377 -5.742 -12.484 1.00 0.00 N ATOM 0 H GLN A 168 0.142 -7.547 -9.046 1.00 0.00 H new ATOM 0 HA GLN A 168 -2.074 -5.916 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -0.775 -5.841 -11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 168 0.082 -5.278 -10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 168 1.458 -7.186 -10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 168 0.362 -8.150 -11.444 1.00 0.00 H new ATOM 0 HE21 GLN A 168 2.440 -5.221 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 168 2.933 -5.455 -13.290 1.00 0.00 H new ATOM 2440 N GLN A 169 -2.191 -8.988 -10.639 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.963 -10.015 -11.330 1.00 0.00 C ATOM 2442 C GLN A 169 -4.340 -10.179 -10.695 1.00 0.00 C ATOM 2443 O GLN A 169 -5.351 -9.779 -11.271 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.214 -11.348 -11.305 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.972 -11.364 -12.181 1.00 0.00 C ATOM 2446 CD GLN A 169 -1.296 -11.242 -13.657 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -2.416 -11.523 -14.083 1.00 0.00 O ATOM 2448 NE2 GLN A 169 -0.315 -10.820 -14.445 1.00 0.00 N ATOM 0 H GLN A 169 -1.569 -9.344 -9.913 1.00 0.00 H new ATOM 0 HA GLN A 169 -3.096 -9.701 -12.365 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.927 -11.575 -10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.888 -12.140 -11.630 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -0.315 -10.545 -11.888 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.423 -12.290 -12.009 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.598 -10.598 -14.048 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.474 -10.717 -15.447 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.371 -10.772 -9.506 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.625 -10.991 -8.794 1.00 0.00 C ATOM 2459 C ASN A 170 -5.777 -9.999 -7.644 1.00 0.00 C ATOM 2460 O ASN A 170 -6.859 -9.458 -7.416 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.688 -12.423 -8.258 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.323 -12.955 -7.868 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -3.847 -12.718 -6.758 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.687 -13.679 -8.781 1.00 0.00 N ATOM 0 H ASN A 170 -3.543 -11.109 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.445 -10.836 -9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.348 -12.455 -7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -6.125 -13.073 -9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.765 -14.064 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -4.120 -13.850 -9.688 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.685 -9.765 -6.922 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.718 -8.839 -5.806 1.00 0.00 C ATOM 2473 C GLY A 171 -4.819 -9.546 -4.469 1.00 0.00 C ATOM 2474 O GLY A 171 -4.647 -10.763 -4.388 1.00 0.00 O ATOM 0 H GLY A 171 -3.778 -10.201 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.818 -8.224 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.567 -8.165 -5.922 1.00 0.00 H new ATOM 2478 N TYR A 172 -5.095 -8.783 -3.417 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.214 -9.343 -2.076 1.00 0.00 C ATOM 2480 C TYR A 172 -6.373 -8.704 -1.319 1.00 0.00 C ATOM 2481 O TYR A 172 -6.399 -7.491 -1.112 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.911 -9.143 -1.300 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.877 -9.872 0.024 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -3.618 -11.236 0.082 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.105 -9.198 1.217 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -3.586 -11.907 1.289 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.074 -9.860 2.429 1.00 0.00 C ATOM 2488 CZ TYR A 172 -3.814 -11.215 2.460 1.00 0.00 C ATOM 2489 OH TYR A 172 -3.784 -11.878 3.665 1.00 0.00 O ATOM 0 H TYR A 172 -5.241 -7.775 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.412 -10.411 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.077 -9.483 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.763 -8.078 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -3.439 -11.781 -0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.310 -8.138 1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.384 -12.968 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.252 -9.320 3.347 1.00 0.00 H new ATOM 0 HH TYR A 172 -3.964 -11.245 4.391 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.331 -9.530 -0.908 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.494 -9.045 -0.174 1.00 0.00 C ATOM 2501 C GLU A 173 -8.319 -9.262 1.326 1.00 0.00 C ATOM 2502 O GLU A 173 -8.200 -10.395 1.791 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.761 -9.752 -0.658 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.897 -9.789 -2.171 1.00 0.00 C ATOM 2505 CD GLU A 173 -8.997 -10.827 -2.813 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -9.414 -12.000 -2.903 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -7.875 -10.465 -3.225 1.00 0.00 O ATOM 0 H GLU A 173 -7.324 -10.537 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.590 -7.975 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.766 -10.773 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.631 -9.250 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.934 -10.000 -2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.659 -8.806 -2.577 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.303 -8.166 2.079 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.142 -8.235 3.526 1.00 0.00 C ATOM 2516 C ASN A 174 -9.085 -9.272 4.130 1.00 0.00 C ATOM 2517 O ASN A 174 -10.300 -9.231 3.932 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.402 -6.865 4.155 1.00 0.00 C ATOM 2519 CG ASN A 174 -7.957 -6.800 5.604 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -7.967 -7.806 6.314 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -7.564 -5.613 6.049 1.00 0.00 N ATOM 0 H ASN A 174 -8.400 -7.220 1.710 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.116 -8.536 3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -7.878 -6.100 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.466 -6.636 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -7.254 -5.508 7.015 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -7.572 -4.806 5.425 1.00 0.00 H new