USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 956 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 49 GLN : amide:sc= 0.252 K(o=0.25,f=-3.8) USER MOD Set 1.2: A 140 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 102 GLN : amide:sc= 0 X(o=0,f=0.33) USER MOD Set 2.2: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 67 LYS NZ :NH3+ -173:sc= 0.444 (180deg=0.417) USER MOD Set 3.2: A 77 MET CE :methyl 180:sc= -0.179 (180deg=-0.179) USER MOD Set 4.1: A 60 SER OG : rot 180:sc= -0.176 USER MOD Set 4.2: A 63 HIS : no HD1:sc= -1.28 K(o=-1.5,f=-5.1!) USER MOD Set 5.1: A 48 TYR OH : rot -159:sc= -0.0984 USER MOD Set 5.2: A 139 LYS NZ :NH3+ -114:sc= -0.697 (180deg=-0.901) USER MOD Set 6.1: A 39 THR OG1 : rot -89:sc= 0.652 USER MOD Set 6.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.19 USER MOD Single : A 25 MET CE :methyl -158:sc= -1 (180deg=-2.57!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 155:sc= 0.00424 USER MOD Single : A 52 SER OG : rot 180:sc= -0.193 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 26:sc= 0.0468 USER MOD Single : A 58 MET CE :methyl -137:sc= -2.25 (180deg=-6.85!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 160:sc= -1.1 USER MOD Single : A 68 GLN : amide:sc= -0.483 K(o=-0.48,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= -0.981 K(o=-0.98,f=-10!) USER MOD Single : A 73 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.8) USER MOD Single : A 75 THR OG1 : rot 10:sc= 0.858 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -50:sc= 0.647 USER MOD Single : A 83 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.0476 K(o=-0.048,f=-3.7!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 90:sc= 0.0866 USER MOD Single : A 101 HIS : no HE2:sc= -0.258 K(o=-0.26,f=-0.81) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.533 K(o=-0.53,f=-0.023) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -30:sc= 0.00133 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -120:sc= -0.0494! USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.435 -18.218 -10.149 1.00 0.00 N ATOM 157 CA GLY A 15 7.067 -18.172 -9.666 1.00 0.00 C ATOM 158 C GLY A 15 6.477 -16.777 -9.730 1.00 0.00 C ATOM 159 O GLY A 15 7.168 -15.791 -9.476 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.453 -18.851 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.036 -18.530 -8.637 1.00 0.00 H new ATOM 163 N ARG A 16 5.195 -16.695 -10.072 1.00 0.00 N ATOM 164 CA ARG A 16 4.512 -15.410 -10.171 1.00 0.00 C ATOM 165 C ARG A 16 4.634 -14.627 -8.867 1.00 0.00 C ATOM 166 O ARG A 16 4.760 -15.211 -7.790 1.00 0.00 O ATOM 167 CB ARG A 16 3.037 -15.618 -10.518 1.00 0.00 C ATOM 168 CG ARG A 16 2.732 -15.466 -11.999 1.00 0.00 C ATOM 169 CD ARG A 16 1.803 -16.564 -12.493 1.00 0.00 C ATOM 170 NE ARG A 16 0.691 -16.793 -11.575 1.00 0.00 N ATOM 171 CZ ARG A 16 -0.130 -17.835 -11.660 1.00 0.00 C ATOM 172 NH1 ARG A 16 0.038 -18.738 -12.615 1.00 0.00 N ATOM 173 NH2 ARG A 16 -1.119 -17.974 -10.787 1.00 0.00 N ATOM 0 H ARG A 16 4.609 -17.502 -10.285 1.00 0.00 H new ATOM 0 HA ARG A 16 4.987 -14.835 -10.965 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.733 -16.613 -10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.436 -14.902 -9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.275 -14.493 -12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.662 -15.492 -12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.413 -16.295 -13.475 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.367 -17.488 -12.617 1.00 0.00 H new ATOM 0 HE ARG A 16 0.536 -16.116 -10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.798 -18.634 -13.287 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.593 -19.537 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.250 -17.281 -10.050 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.749 -18.774 -10.853 1.00 0.00 H new ATOM 187 N SER A 17 4.596 -13.303 -8.972 1.00 0.00 N ATOM 188 CA SER A 17 4.706 -12.440 -7.802 1.00 0.00 C ATOM 189 C SER A 17 3.727 -11.273 -7.893 1.00 0.00 C ATOM 190 O SER A 17 3.885 -10.380 -8.725 1.00 0.00 O ATOM 191 CB SER A 17 6.135 -11.912 -7.664 1.00 0.00 C ATOM 192 OG SER A 17 6.901 -12.733 -6.800 1.00 0.00 O ATOM 0 H SER A 17 4.490 -12.804 -9.855 1.00 0.00 H new ATOM 0 HA SER A 17 4.458 -13.031 -6.921 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.607 -11.871 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.114 -10.893 -7.278 1.00 0.00 H new ATOM 0 HG SER A 17 7.811 -12.375 -6.730 1.00 0.00 H new ATOM 198 N TRP A 18 2.716 -11.289 -7.031 1.00 0.00 N ATOM 199 CA TRP A 18 1.711 -10.233 -7.014 1.00 0.00 C ATOM 200 C TRP A 18 2.366 -8.859 -6.930 1.00 0.00 C ATOM 201 O TRP A 18 3.557 -8.746 -6.637 1.00 0.00 O ATOM 202 CB TRP A 18 0.756 -10.429 -5.835 1.00 0.00 C ATOM 203 CG TRP A 18 -0.151 -11.612 -5.996 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.134 -12.911 -5.687 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.488 -11.603 -6.507 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.945 -13.711 -5.974 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.954 -12.932 -6.478 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.339 -10.602 -6.984 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.230 -13.283 -6.909 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.605 -10.952 -7.412 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.042 -12.283 -7.371 1.00 0.00 C ATOM 0 H TRP A 18 2.571 -12.021 -6.336 1.00 0.00 H new ATOM 0 HA TRP A 18 1.146 -10.289 -7.944 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.338 -10.548 -4.921 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.151 -9.530 -5.713 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.071 -13.259 -5.277 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.988 -14.721 -5.835 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.013 -9.573 -7.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.567 -14.309 -6.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.270 -10.187 -7.785 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.039 -12.524 -7.710 1.00 0.00 H new ATOM 222 N CYS A 19 1.582 -7.818 -7.187 1.00 0.00 N ATOM 223 CA CYS A 19 2.088 -6.450 -7.141 1.00 0.00 C ATOM 224 C CYS A 19 0.948 -5.445 -7.270 1.00 0.00 C ATOM 225 O CYS A 19 -0.217 -5.823 -7.394 1.00 0.00 O ATOM 226 CB CYS A 19 3.111 -6.224 -8.254 1.00 0.00 C ATOM 227 SG CYS A 19 2.394 -6.153 -9.913 1.00 0.00 S ATOM 0 H CYS A 19 0.594 -7.895 -7.429 1.00 0.00 H new ATOM 0 HA CYS A 19 2.573 -6.301 -6.177 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.643 -5.293 -8.060 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.849 -7.026 -8.223 1.00 0.00 H new ATOM 0 HG CYS A 19 3.295 -5.749 -10.758 1.00 0.00 H new ATOM 233 N LEU A 20 1.291 -4.162 -7.237 1.00 0.00 N ATOM 234 CA LEU A 20 0.297 -3.100 -7.349 1.00 0.00 C ATOM 235 C LEU A 20 0.545 -2.250 -8.590 1.00 0.00 C ATOM 236 O LEU A 20 1.080 -1.145 -8.501 1.00 0.00 O ATOM 237 CB LEU A 20 0.321 -2.218 -6.099 1.00 0.00 C ATOM 238 CG LEU A 20 0.031 -2.923 -4.774 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.308 -1.994 -3.603 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.408 -3.417 -4.737 1.00 0.00 C ATOM 0 H LEU A 20 2.250 -3.832 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.685 -3.564 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.302 -1.747 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.408 -1.418 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 20 0.693 -3.785 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.096 -2.513 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.355 -1.690 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.328 -1.112 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.597 -3.916 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.086 -2.570 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.573 -4.119 -5.555 1.00 0.00 H new ATOM 252 N ARG A 21 0.151 -2.772 -9.747 1.00 0.00 N ATOM 253 CA ARG A 21 0.329 -2.060 -11.007 1.00 0.00 C ATOM 254 C ARG A 21 -0.237 -0.646 -10.918 1.00 0.00 C ATOM 255 O ARG A 21 -1.451 -0.458 -10.829 1.00 0.00 O ATOM 256 CB ARG A 21 -0.348 -2.822 -12.148 1.00 0.00 C ATOM 257 CG ARG A 21 0.364 -2.679 -13.483 1.00 0.00 C ATOM 258 CD ARG A 21 -0.468 -3.246 -14.622 1.00 0.00 C ATOM 259 NE ARG A 21 -1.567 -2.357 -14.992 1.00 0.00 N ATOM 260 CZ ARG A 21 -2.185 -2.404 -16.167 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.815 -3.291 -17.080 1.00 0.00 N ATOM 262 NH2 ARG A 21 -3.176 -1.562 -16.430 1.00 0.00 N ATOM 0 H ARG A 21 -0.294 -3.685 -9.838 1.00 0.00 H new ATOM 0 HA ARG A 21 1.398 -1.992 -11.209 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.402 -3.879 -11.886 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.373 -2.467 -12.253 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.574 -1.627 -13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.324 -3.193 -13.441 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.171 -3.413 -15.489 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.869 -4.216 -14.330 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.876 -1.663 -14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.054 -3.940 -16.881 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.292 -3.324 -17.981 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.464 -0.878 -15.730 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.650 -1.598 -17.332 1.00 0.00 H new ATOM 276 N ARG A 22 0.649 0.343 -10.941 1.00 0.00 N ATOM 277 CA ARG A 22 0.238 1.740 -10.861 1.00 0.00 C ATOM 278 C ARG A 22 -0.757 2.078 -11.967 1.00 0.00 C ATOM 279 O ARG A 22 -0.460 1.922 -13.152 1.00 0.00 O ATOM 280 CB ARG A 22 1.457 2.659 -10.957 1.00 0.00 C ATOM 281 CG ARG A 22 1.116 4.136 -10.842 1.00 0.00 C ATOM 282 CD ARG A 22 1.167 4.608 -9.397 1.00 0.00 C ATOM 283 NE ARG A 22 1.595 6.000 -9.291 1.00 0.00 N ATOM 284 CZ ARG A 22 0.864 7.028 -9.707 1.00 0.00 C ATOM 285 NH1 ARG A 22 -0.326 6.820 -10.254 1.00 0.00 N ATOM 286 NH2 ARG A 22 1.322 8.266 -9.576 1.00 0.00 N ATOM 0 H ARG A 22 1.657 0.204 -11.014 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.249 1.895 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.163 2.395 -10.170 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.960 2.484 -11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.815 4.720 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.121 4.314 -11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.182 4.496 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.851 3.974 -8.833 1.00 0.00 H new ATOM 0 HE ARG A 22 2.506 6.194 -8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.681 5.869 -10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.886 7.611 -10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.237 8.430 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.759 9.054 -9.896 1.00 0.00 H new ATOM 300 N VAL A 23 -1.939 2.541 -11.573 1.00 0.00 N ATOM 301 CA VAL A 23 -2.977 2.901 -12.531 1.00 0.00 C ATOM 302 C VAL A 23 -2.564 4.113 -13.359 1.00 0.00 C ATOM 303 O VAL A 23 -2.288 5.183 -12.817 1.00 0.00 O ATOM 304 CB VAL A 23 -4.311 3.207 -11.824 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.371 3.615 -12.836 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.772 2.004 -11.014 1.00 0.00 C ATOM 0 H VAL A 23 -2.201 2.676 -10.597 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.111 2.043 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.156 4.041 -11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.306 3.827 -12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.041 4.507 -13.369 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.526 2.804 -13.547 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.716 2.237 -10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.910 1.150 -11.677 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.020 1.762 -10.263 1.00 0.00 H new ATOM 316 N GLY A 24 -2.525 3.938 -14.676 1.00 0.00 N ATOM 317 CA GLY A 24 -2.146 5.026 -15.558 1.00 0.00 C ATOM 318 C GLY A 24 -0.642 5.159 -15.701 1.00 0.00 C ATOM 319 O GLY A 24 -0.142 6.201 -16.122 1.00 0.00 O ATOM 0 H GLY A 24 -2.749 3.062 -15.148 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.588 4.864 -16.541 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.556 5.960 -15.174 1.00 0.00 H new ATOM 323 N MET A 25 0.080 4.101 -15.347 1.00 0.00 N ATOM 324 CA MET A 25 1.535 4.105 -15.438 1.00 0.00 C ATOM 325 C MET A 25 2.084 2.681 -15.439 1.00 0.00 C ATOM 326 O MET A 25 1.709 1.861 -14.601 1.00 0.00 O ATOM 327 CB MET A 25 2.138 4.895 -14.275 1.00 0.00 C ATOM 328 CG MET A 25 2.645 6.272 -14.673 1.00 0.00 C ATOM 329 SD MET A 25 4.159 6.732 -13.809 1.00 0.00 S ATOM 330 CE MET A 25 3.707 6.362 -12.116 1.00 0.00 C ATOM 0 H MET A 25 -0.319 3.231 -14.995 1.00 0.00 H new ATOM 0 HA MET A 25 1.814 4.584 -16.377 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.386 5.006 -13.493 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.961 4.324 -13.847 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.825 6.292 -15.748 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.873 7.013 -14.465 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.343 6.931 -11.437 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.664 6.633 -11.950 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.839 5.296 -11.929 1.00 0.00 H new ATOM 340 N SER A 26 2.973 2.395 -16.384 1.00 0.00 N ATOM 341 CA SER A 26 3.570 1.069 -16.497 1.00 0.00 C ATOM 342 C SER A 26 4.766 0.931 -15.559 1.00 0.00 C ATOM 343 O SER A 26 5.433 -0.103 -15.535 1.00 0.00 O ATOM 344 CB SER A 26 4.005 0.803 -17.939 1.00 0.00 C ATOM 345 OG SER A 26 5.055 1.673 -18.324 1.00 0.00 O ATOM 0 H SER A 26 3.296 3.064 -17.083 1.00 0.00 H new ATOM 0 HA SER A 26 2.818 0.333 -16.211 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.331 -0.232 -18.039 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.155 0.935 -18.609 1.00 0.00 H new ATOM 0 HG SER A 26 5.316 1.481 -19.249 1.00 0.00 H new ATOM 351 N ALA A 27 5.030 1.981 -14.788 1.00 0.00 N ATOM 352 CA ALA A 27 6.143 1.977 -13.847 1.00 0.00 C ATOM 353 C ALA A 27 5.646 2.075 -12.408 1.00 0.00 C ATOM 354 O ALA A 27 4.442 2.110 -12.158 1.00 0.00 O ATOM 355 CB ALA A 27 7.100 3.118 -14.156 1.00 0.00 C ATOM 0 H ALA A 27 4.488 2.845 -14.797 1.00 0.00 H new ATOM 0 HA ALA A 27 6.675 1.032 -13.956 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.926 3.103 -13.445 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.489 3.003 -15.168 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.571 4.068 -14.077 1.00 0.00 H new ATOM 361 N GLY A 28 6.582 2.119 -11.465 1.00 0.00 N ATOM 362 CA GLY A 28 6.219 2.212 -10.063 1.00 0.00 C ATOM 363 C GLY A 28 5.391 1.031 -9.599 1.00 0.00 C ATOM 364 O GLY A 28 4.423 1.197 -8.856 1.00 0.00 O ATOM 0 H GLY A 28 7.585 2.092 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.125 2.276 -9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.659 3.132 -9.896 1.00 0.00 H new ATOM 368 N TRP A 29 5.769 -0.164 -10.039 1.00 0.00 N ATOM 369 CA TRP A 29 5.052 -1.378 -9.665 1.00 0.00 C ATOM 370 C TRP A 29 5.548 -1.912 -8.326 1.00 0.00 C ATOM 371 O TRP A 29 6.680 -2.386 -8.217 1.00 0.00 O ATOM 372 CB TRP A 29 5.216 -2.445 -10.747 1.00 0.00 C ATOM 373 CG TRP A 29 4.582 -2.070 -12.053 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.955 -0.895 -12.351 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.513 -2.875 -13.235 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.500 -0.921 -13.648 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.831 -2.124 -14.211 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.964 -4.157 -13.564 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.588 -2.614 -15.492 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.722 -4.642 -14.835 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.040 -3.872 -15.787 1.00 0.00 C ATOM 0 H TRP A 29 6.567 -0.318 -10.655 1.00 0.00 H new ATOM 0 HA TRP A 29 3.995 -1.131 -9.567 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.278 -2.630 -10.907 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.780 -3.380 -10.395 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.834 -0.067 -11.668 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.997 -0.166 -14.115 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.492 -4.757 -12.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.062 -2.022 -16.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.064 -5.632 -15.099 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.868 -4.279 -16.772 1.00 0.00 H new ATOM 392 N LEU A 30 4.696 -1.835 -7.310 1.00 0.00 N ATOM 393 CA LEU A 30 5.049 -2.312 -5.977 1.00 0.00 C ATOM 394 C LEU A 30 4.979 -3.834 -5.908 1.00 0.00 C ATOM 395 O LEU A 30 3.897 -4.420 -5.969 1.00 0.00 O ATOM 396 CB LEU A 30 4.117 -1.698 -4.931 1.00 0.00 C ATOM 397 CG LEU A 30 3.778 -0.219 -5.119 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.672 0.200 -4.164 1.00 0.00 C ATOM 399 CD2 LEU A 30 5.016 0.642 -4.916 1.00 0.00 C ATOM 0 H LEU A 30 3.756 -1.447 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 30 6.073 -2.004 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.186 -2.265 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.573 -1.824 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 30 3.423 -0.074 -6.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.444 1.256 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.779 -0.395 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.999 0.040 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.756 1.692 -5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.401 0.493 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.779 0.359 -5.641 1.00 0.00 H new ATOM 411 N LEU A 31 6.138 -4.469 -5.777 1.00 0.00 N ATOM 412 CA LEU A 31 6.209 -5.924 -5.696 1.00 0.00 C ATOM 413 C LEU A 31 5.602 -6.427 -4.390 1.00 0.00 C ATOM 414 O LEU A 31 5.851 -5.868 -3.321 1.00 0.00 O ATOM 415 CB LEU A 31 7.661 -6.391 -5.810 1.00 0.00 C ATOM 416 CG LEU A 31 7.899 -7.891 -5.637 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.671 -8.623 -6.951 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.305 -8.152 -5.116 1.00 0.00 C ATOM 0 H LEU A 31 7.042 -3.999 -5.725 1.00 0.00 H new ATOM 0 HA LEU A 31 5.635 -6.338 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.042 -6.093 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.252 -5.861 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 31 7.186 -8.270 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.845 -9.690 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.645 -8.464 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.359 -8.241 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.456 -9.225 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.034 -7.758 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.433 -7.660 -4.152 1.00 0.00 H new ATOM 430 N LEU A 32 4.806 -7.486 -4.483 1.00 0.00 N ATOM 431 CA LEU A 32 4.165 -8.067 -3.309 1.00 0.00 C ATOM 432 C LEU A 32 4.673 -9.483 -3.055 1.00 0.00 C ATOM 433 O LEU A 32 3.937 -10.455 -3.219 1.00 0.00 O ATOM 434 CB LEU A 32 2.646 -8.083 -3.488 1.00 0.00 C ATOM 435 CG LEU A 32 1.951 -6.721 -3.444 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.482 -6.860 -3.815 1.00 0.00 C ATOM 437 CD2 LEU A 32 2.098 -6.091 -2.067 1.00 0.00 C ATOM 0 H LEU A 32 4.589 -7.960 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 32 4.417 -7.450 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.418 -8.554 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.215 -8.714 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 32 2.429 -6.067 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.003 -5.881 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.398 -7.268 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.009 -7.531 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.597 -5.123 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.647 -6.743 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.155 -5.956 -1.840 1.00 0.00 H new ATOM 449 N GLU A 33 5.936 -9.590 -2.652 1.00 0.00 N ATOM 450 CA GLU A 33 6.541 -10.887 -2.374 1.00 0.00 C ATOM 451 C GLU A 33 5.747 -11.641 -1.311 1.00 0.00 C ATOM 452 O GLU A 33 5.530 -11.137 -0.209 1.00 0.00 O ATOM 453 CB GLU A 33 7.990 -10.711 -1.915 1.00 0.00 C ATOM 454 CG GLU A 33 9.009 -11.284 -2.885 1.00 0.00 C ATOM 455 CD GLU A 33 10.420 -11.259 -2.330 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.707 -10.392 -1.478 1.00 0.00 O ATOM 457 OE2 GLU A 33 11.238 -12.106 -2.747 1.00 0.00 O ATOM 0 H GLU A 33 6.559 -8.795 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 33 6.528 -11.470 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.191 -9.649 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.116 -11.190 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.736 -12.311 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.978 -10.717 -3.815 1.00 0.00 H new ATOM 464 N ASP A 34 5.317 -12.851 -1.651 1.00 0.00 N ATOM 465 CA ASP A 34 4.548 -13.676 -0.726 1.00 0.00 C ATOM 466 C ASP A 34 5.354 -13.977 0.533 1.00 0.00 C ATOM 467 O ASP A 34 6.358 -14.686 0.485 1.00 0.00 O ATOM 468 CB ASP A 34 4.128 -14.982 -1.403 1.00 0.00 C ATOM 469 CG ASP A 34 3.704 -16.041 -0.404 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.592 -16.663 0.215 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.483 -16.247 -0.241 1.00 0.00 O ATOM 0 H ASP A 34 5.488 -13.282 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 34 3.655 -13.121 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.305 -14.784 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.957 -15.361 -2.000 1.00 0.00 H new ATOM 476 N GLY A 35 4.907 -13.432 1.660 1.00 0.00 N ATOM 477 CA GLY A 35 5.599 -13.652 2.917 1.00 0.00 C ATOM 478 C GLY A 35 6.284 -12.401 3.429 1.00 0.00 C ATOM 479 O GLY A 35 6.598 -12.298 4.615 1.00 0.00 O ATOM 0 H GLY A 35 4.078 -12.842 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.887 -14.004 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.340 -14.441 2.787 1.00 0.00 H new ATOM 483 N CYS A 36 6.518 -11.448 2.533 1.00 0.00 N ATOM 484 CA CYS A 36 7.173 -10.198 2.900 1.00 0.00 C ATOM 485 C CYS A 36 6.157 -9.068 3.026 1.00 0.00 C ATOM 486 O CYS A 36 5.478 -8.720 2.060 1.00 0.00 O ATOM 487 CB CYS A 36 8.236 -9.831 1.863 1.00 0.00 C ATOM 488 SG CYS A 36 9.747 -10.818 1.974 1.00 0.00 S ATOM 0 H CYS A 36 6.264 -11.517 1.548 1.00 0.00 H new ATOM 0 HA CYS A 36 7.654 -10.339 3.868 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.811 -9.947 0.866 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.493 -8.778 1.979 1.00 0.00 H new ATOM 0 HG CYS A 36 10.334 -10.845 0.814 1.00 0.00 H new ATOM 494 N GLU A 37 6.057 -8.499 4.224 1.00 0.00 N ATOM 495 CA GLU A 37 5.121 -7.410 4.476 1.00 0.00 C ATOM 496 C GLU A 37 5.438 -6.205 3.595 1.00 0.00 C ATOM 497 O GLU A 37 6.603 -5.888 3.353 1.00 0.00 O ATOM 498 CB GLU A 37 5.162 -7.003 5.950 1.00 0.00 C ATOM 499 CG GLU A 37 3.830 -6.498 6.479 1.00 0.00 C ATOM 500 CD GLU A 37 3.978 -5.689 7.754 1.00 0.00 C ATOM 501 OE1 GLU A 37 4.999 -4.985 7.895 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.072 -5.762 8.610 1.00 0.00 O ATOM 0 H GLU A 37 6.612 -8.774 5.034 1.00 0.00 H new ATOM 0 HA GLU A 37 4.119 -7.763 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.479 -7.859 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.914 -6.226 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.350 -5.884 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.172 -7.347 6.666 1.00 0.00 H new ATOM 509 N VAL A 38 4.393 -5.536 3.117 1.00 0.00 N ATOM 510 CA VAL A 38 4.560 -4.366 2.264 1.00 0.00 C ATOM 511 C VAL A 38 3.873 -3.145 2.866 1.00 0.00 C ATOM 512 O VAL A 38 2.649 -3.021 2.821 1.00 0.00 O ATOM 513 CB VAL A 38 3.994 -4.615 0.853 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.235 -3.408 -0.040 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.609 -5.868 0.247 1.00 0.00 C ATOM 0 H VAL A 38 3.422 -5.785 3.306 1.00 0.00 H new ATOM 0 HA VAL A 38 5.631 -4.178 2.190 1.00 0.00 H new ATOM 0 HB VAL A 38 2.918 -4.768 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.828 -3.603 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.744 -2.534 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.306 -3.221 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.198 -6.029 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.690 -5.746 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.380 -6.727 0.877 1.00 0.00 H new ATOM 525 N THR A 39 4.671 -2.243 3.430 1.00 0.00 N ATOM 526 CA THR A 39 4.141 -1.031 4.042 1.00 0.00 C ATOM 527 C THR A 39 4.351 0.179 3.138 1.00 0.00 C ATOM 528 O THR A 39 5.452 0.407 2.636 1.00 0.00 O ATOM 529 CB THR A 39 4.798 -0.758 5.408 1.00 0.00 C ATOM 530 OG1 THR A 39 6.199 -0.517 5.238 1.00 0.00 O ATOM 531 CG2 THR A 39 4.592 -1.932 6.352 1.00 0.00 C ATOM 0 H THR A 39 5.686 -2.329 3.475 1.00 0.00 H new ATOM 0 HA THR A 39 3.073 -1.191 4.187 1.00 0.00 H new ATOM 0 HB THR A 39 4.328 0.124 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.685 -1.367 5.285 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.065 -1.716 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.525 -2.095 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.039 -2.828 5.921 1.00 0.00 H new ATOM 539 N VAL A 40 3.289 0.952 2.936 1.00 0.00 N ATOM 540 CA VAL A 40 3.359 2.140 2.093 1.00 0.00 C ATOM 541 C VAL A 40 3.074 3.403 2.900 1.00 0.00 C ATOM 542 O VAL A 40 2.266 3.390 3.828 1.00 0.00 O ATOM 543 CB VAL A 40 2.362 2.057 0.922 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.588 3.202 -0.054 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.481 0.714 0.217 1.00 0.00 C ATOM 0 H VAL A 40 2.371 0.777 3.344 1.00 0.00 H new ATOM 0 HA VAL A 40 4.373 2.187 1.695 1.00 0.00 H new ATOM 0 HB VAL A 40 1.351 2.145 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.875 3.127 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.449 4.152 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.602 3.148 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.770 0.672 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.493 0.595 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.266 -0.088 0.923 1.00 0.00 H new ATOM 555 N GLY A 41 3.743 4.493 2.538 1.00 0.00 N ATOM 556 CA GLY A 41 3.548 5.750 3.237 1.00 0.00 C ATOM 557 C GLY A 41 4.377 6.875 2.651 1.00 0.00 C ATOM 558 O GLY A 41 4.736 6.842 1.474 1.00 0.00 O ATOM 0 H GLY A 41 4.417 4.528 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.493 6.023 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.807 5.622 4.288 1.00 0.00 H new ATOM 562 N ARG A 42 4.680 7.874 3.472 1.00 0.00 N ATOM 563 CA ARG A 42 5.470 9.016 3.027 1.00 0.00 C ATOM 564 C ARG A 42 6.793 9.091 3.784 1.00 0.00 C ATOM 565 O ARG A 42 7.770 9.653 3.293 1.00 0.00 O ATOM 566 CB ARG A 42 4.684 10.314 3.223 1.00 0.00 C ATOM 567 CG ARG A 42 4.241 10.548 4.658 1.00 0.00 C ATOM 568 CD ARG A 42 4.229 12.028 5.004 1.00 0.00 C ATOM 569 NE ARG A 42 3.583 12.286 6.288 1.00 0.00 N ATOM 570 CZ ARG A 42 3.600 13.467 6.895 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.226 14.494 6.338 1.00 0.00 N ATOM 572 NH2 ARG A 42 2.989 13.622 8.063 1.00 0.00 N ATOM 0 H ARG A 42 4.391 7.916 4.449 1.00 0.00 H new ATOM 0 HA ARG A 42 5.685 8.886 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.300 11.154 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.805 10.297 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.245 10.131 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.911 10.020 5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.253 12.402 5.032 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.710 12.579 4.220 1.00 0.00 H new ATOM 0 HE ARG A 42 3.092 11.517 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.697 14.379 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.237 15.400 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.506 12.834 8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.002 14.529 8.529 1.00 0.00 H new ATOM 586 N GLY A 43 6.815 8.520 4.985 1.00 0.00 N ATOM 587 CA GLY A 43 8.022 8.533 5.791 1.00 0.00 C ATOM 588 C GLY A 43 9.112 7.651 5.216 1.00 0.00 C ATOM 589 O GLY A 43 8.888 6.926 4.247 1.00 0.00 O ATOM 0 H GLY A 43 6.018 8.049 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.391 9.556 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.784 8.200 6.801 1.00 0.00 H new ATOM 593 N PHE A 44 10.298 7.714 5.813 1.00 0.00 N ATOM 594 CA PHE A 44 11.429 6.917 5.353 1.00 0.00 C ATOM 595 C PHE A 44 11.569 5.643 6.181 1.00 0.00 C ATOM 596 O PHE A 44 12.671 5.129 6.368 1.00 0.00 O ATOM 597 CB PHE A 44 12.720 7.733 5.430 1.00 0.00 C ATOM 598 CG PHE A 44 12.965 8.342 6.781 1.00 0.00 C ATOM 599 CD1 PHE A 44 13.619 7.624 7.771 1.00 0.00 C ATOM 600 CD2 PHE A 44 12.542 9.631 7.063 1.00 0.00 C ATOM 601 CE1 PHE A 44 13.846 8.181 9.015 1.00 0.00 C ATOM 602 CE2 PHE A 44 12.767 10.193 8.305 1.00 0.00 C ATOM 603 CZ PHE A 44 13.418 9.467 9.283 1.00 0.00 C ATOM 0 H PHE A 44 10.500 8.309 6.616 1.00 0.00 H new ATOM 0 HA PHE A 44 11.246 6.637 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.562 7.091 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.684 8.527 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.955 6.618 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.030 10.203 6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.357 7.612 9.777 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.434 11.200 8.511 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.592 9.904 10.255 1.00 0.00 H new ATOM 613 N GLY A 45 10.442 5.139 6.676 1.00 0.00 N ATOM 614 CA GLY A 45 10.460 3.930 7.479 1.00 0.00 C ATOM 615 C GLY A 45 9.511 2.871 6.954 1.00 0.00 C ATOM 616 O GLY A 45 9.127 1.955 7.681 1.00 0.00 O ATOM 0 H GLY A 45 9.518 5.546 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.473 3.527 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.192 4.176 8.507 1.00 0.00 H new ATOM 620 N VAL A 46 9.131 2.996 5.686 1.00 0.00 N ATOM 621 CA VAL A 46 8.220 2.042 5.064 1.00 0.00 C ATOM 622 C VAL A 46 8.851 1.402 3.833 1.00 0.00 C ATOM 623 O VAL A 46 9.716 1.993 3.185 1.00 0.00 O ATOM 624 CB VAL A 46 6.895 2.714 4.657 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.077 3.072 5.889 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.163 3.948 3.808 1.00 0.00 C ATOM 0 H VAL A 46 9.440 3.748 5.070 1.00 0.00 H new ATOM 0 HA VAL A 46 8.015 1.271 5.806 1.00 0.00 H new ATOM 0 HB VAL A 46 6.318 2.008 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.145 3.546 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.855 2.167 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.645 3.760 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.216 4.410 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.760 4.659 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.705 3.659 2.907 1.00 0.00 H new ATOM 636 N THR A 47 8.413 0.188 3.514 1.00 0.00 N ATOM 637 CA THR A 47 8.936 -0.534 2.360 1.00 0.00 C ATOM 638 C THR A 47 8.864 0.319 1.099 1.00 0.00 C ATOM 639 O THR A 47 9.774 0.295 0.269 1.00 0.00 O ATOM 640 CB THR A 47 8.165 -1.846 2.123 1.00 0.00 C ATOM 641 OG1 THR A 47 8.267 -2.690 3.275 1.00 0.00 O ATOM 642 CG2 THR A 47 8.704 -2.578 0.903 1.00 0.00 C ATOM 0 H THR A 47 7.698 -0.316 4.038 1.00 0.00 H new ATOM 0 HA THR A 47 9.978 -0.767 2.578 1.00 0.00 H new ATOM 0 HB THR A 47 7.118 -1.599 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.773 -3.521 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.144 -3.501 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.598 -1.945 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.757 -2.813 1.056 1.00 0.00 H new ATOM 650 N TYR A 48 7.779 1.073 0.961 1.00 0.00 N ATOM 651 CA TYR A 48 7.589 1.934 -0.201 1.00 0.00 C ATOM 652 C TYR A 48 7.264 3.362 0.226 1.00 0.00 C ATOM 653 O TYR A 48 6.134 3.663 0.610 1.00 0.00 O ATOM 654 CB TYR A 48 6.470 1.387 -1.088 1.00 0.00 C ATOM 655 CG TYR A 48 6.830 0.099 -1.793 1.00 0.00 C ATOM 656 CD1 TYR A 48 7.622 0.107 -2.935 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.377 -1.126 -1.319 1.00 0.00 C ATOM 658 CE1 TYR A 48 7.954 -1.067 -3.583 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.705 -2.305 -1.959 1.00 0.00 C ATOM 660 CZ TYR A 48 7.493 -2.271 -3.091 1.00 0.00 C ATOM 661 OH TYR A 48 7.820 -3.443 -3.733 1.00 0.00 O ATOM 0 H TYR A 48 7.018 1.106 1.639 1.00 0.00 H new ATOM 0 HA TYR A 48 8.520 1.948 -0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.582 1.221 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.209 2.138 -1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.984 1.048 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.758 -1.157 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 48 8.571 -1.043 -4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.347 -3.249 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 48 7.177 -4.141 -3.488 1.00 0.00 H new ATOM 671 N GLN A 49 8.263 4.235 0.156 1.00 0.00 N ATOM 672 CA GLN A 49 8.084 5.632 0.535 1.00 0.00 C ATOM 673 C GLN A 49 7.572 6.455 -0.643 1.00 0.00 C ATOM 674 O GLN A 49 7.953 6.218 -1.791 1.00 0.00 O ATOM 675 CB GLN A 49 9.401 6.217 1.047 1.00 0.00 C ATOM 676 CG GLN A 49 9.302 7.679 1.448 1.00 0.00 C ATOM 677 CD GLN A 49 10.565 8.188 2.114 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.601 7.522 2.099 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.487 9.375 2.705 1.00 0.00 N ATOM 0 H GLN A 49 9.204 4.000 -0.159 1.00 0.00 H new ATOM 0 HA GLN A 49 7.342 5.673 1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.738 5.636 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.161 6.112 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.094 8.281 0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.460 7.809 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.609 9.894 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.305 9.768 3.170 1.00 0.00 H new ATOM 688 N LEU A 50 6.708 7.421 -0.353 1.00 0.00 N ATOM 689 CA LEU A 50 6.144 8.279 -1.389 1.00 0.00 C ATOM 690 C LEU A 50 6.047 9.723 -0.906 1.00 0.00 C ATOM 691 O LEU A 50 5.214 10.052 -0.062 1.00 0.00 O ATOM 692 CB LEU A 50 4.760 7.773 -1.800 1.00 0.00 C ATOM 693 CG LEU A 50 4.626 6.261 -1.983 1.00 0.00 C ATOM 694 CD1 LEU A 50 3.160 5.856 -2.016 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.334 5.812 -3.252 1.00 0.00 C ATOM 0 H LEU A 50 6.383 7.630 0.591 1.00 0.00 H new ATOM 0 HA LEU A 50 6.807 8.248 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.040 8.093 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.481 8.258 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 50 5.099 5.768 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.084 4.777 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.682 6.143 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.662 6.358 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.228 4.733 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.891 6.313 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.392 6.068 -3.189 1.00 0.00 H new ATOM 707 N VAL A 51 6.903 10.582 -1.450 1.00 0.00 N ATOM 708 CA VAL A 51 6.912 11.992 -1.078 1.00 0.00 C ATOM 709 C VAL A 51 6.561 12.877 -2.268 1.00 0.00 C ATOM 710 O VAL A 51 6.984 12.617 -3.394 1.00 0.00 O ATOM 711 CB VAL A 51 8.285 12.417 -0.523 1.00 0.00 C ATOM 712 CG1 VAL A 51 8.283 13.897 -0.169 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.657 11.572 0.685 1.00 0.00 C ATOM 0 H VAL A 51 7.599 10.326 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 51 6.159 12.119 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 51 9.036 12.254 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.261 14.179 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.065 14.484 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.521 14.089 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.630 11.886 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.906 11.700 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.703 10.522 0.395 1.00 0.00 H new ATOM 723 N SER A 52 5.783 13.924 -2.011 1.00 0.00 N ATOM 724 CA SER A 52 5.371 14.846 -3.062 1.00 0.00 C ATOM 725 C SER A 52 5.732 16.283 -2.697 1.00 0.00 C ATOM 726 O SER A 52 6.198 16.556 -1.590 1.00 0.00 O ATOM 727 CB SER A 52 3.865 14.734 -3.307 1.00 0.00 C ATOM 728 OG SER A 52 3.473 15.496 -4.436 1.00 0.00 O ATOM 0 H SER A 52 5.426 14.154 -1.084 1.00 0.00 H new ATOM 0 HA SER A 52 5.902 14.577 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.595 13.689 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.324 15.079 -2.426 1.00 0.00 H new ATOM 0 HG SER A 52 2.507 15.406 -4.572 1.00 0.00 H new ATOM 734 N LYS A 53 5.514 17.198 -3.635 1.00 0.00 N ATOM 735 CA LYS A 53 5.815 18.608 -3.414 1.00 0.00 C ATOM 736 C LYS A 53 4.537 19.441 -3.402 1.00 0.00 C ATOM 737 O LYS A 53 4.486 20.506 -2.786 1.00 0.00 O ATOM 738 CB LYS A 53 6.763 19.124 -4.498 1.00 0.00 C ATOM 739 CG LYS A 53 8.190 18.628 -4.344 1.00 0.00 C ATOM 740 CD LYS A 53 8.819 19.127 -3.054 1.00 0.00 C ATOM 741 CE LYS A 53 10.333 18.992 -3.083 1.00 0.00 C ATOM 742 NZ LYS A 53 11.011 20.284 -2.784 1.00 0.00 N ATOM 0 H LYS A 53 5.130 16.989 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 53 6.299 18.703 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.385 18.820 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.762 20.214 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.200 17.538 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.786 18.962 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.549 20.171 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.419 18.564 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.645 18.242 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.647 18.636 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.042 20.150 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.734 20.994 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.731 20.612 -1.837 1.00 0.00 H new ATOM 756 N ILE A 54 3.509 18.949 -4.085 1.00 0.00 N ATOM 757 CA ILE A 54 2.231 19.648 -4.150 1.00 0.00 C ATOM 758 C ILE A 54 1.399 19.389 -2.899 1.00 0.00 C ATOM 759 O ILE A 54 0.915 20.323 -2.259 1.00 0.00 O ATOM 760 CB ILE A 54 1.421 19.224 -5.389 1.00 0.00 C ATOM 761 CG1 ILE A 54 2.217 19.502 -6.666 1.00 0.00 C ATOM 762 CG2 ILE A 54 0.085 19.953 -5.422 1.00 0.00 C ATOM 763 CD1 ILE A 54 2.617 20.952 -6.825 1.00 0.00 C ATOM 0 H ILE A 54 3.536 18.070 -4.601 1.00 0.00 H new ATOM 0 HA ILE A 54 2.456 20.712 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 54 1.228 18.153 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.115 18.884 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.622 19.201 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.477 19.643 -6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.484 19.710 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.258 21.028 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.178 21.075 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.723 21.575 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.239 21.252 -5.982 1.00 0.00 H new ATOM 775 N CYS A 55 1.237 18.116 -2.555 1.00 0.00 N ATOM 776 CA CYS A 55 0.464 17.733 -1.379 1.00 0.00 C ATOM 777 C CYS A 55 1.040 16.477 -0.735 1.00 0.00 C ATOM 778 O CYS A 55 0.476 15.386 -0.830 1.00 0.00 O ATOM 779 CB CYS A 55 -0.999 17.502 -1.759 1.00 0.00 C ATOM 780 SG CYS A 55 -2.036 18.979 -1.639 1.00 0.00 S ATOM 0 H CYS A 55 1.631 17.331 -3.074 1.00 0.00 H new ATOM 0 HA CYS A 55 0.520 18.547 -0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.042 17.123 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.413 16.727 -1.113 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.299 20.040 -1.784 1.00 0.00 H new ATOM 786 N PRO A 56 2.191 16.630 -0.064 1.00 0.00 N ATOM 787 CA PRO A 56 2.870 15.518 0.608 1.00 0.00 C ATOM 788 C PRO A 56 2.106 15.029 1.835 1.00 0.00 C ATOM 789 O PRO A 56 2.118 13.839 2.152 1.00 0.00 O ATOM 790 CB PRO A 56 4.215 16.120 1.020 1.00 0.00 C ATOM 791 CG PRO A 56 3.957 17.583 1.131 1.00 0.00 C ATOM 792 CD PRO A 56 2.919 17.900 0.090 1.00 0.00 C ATOM 0 HA PRO A 56 2.959 14.645 -0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.561 15.706 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.987 15.909 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.601 17.842 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.869 18.154 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.259 18.705 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.375 18.218 -0.848 1.00 0.00 H new ATOM 800 N LEU A 57 1.444 15.954 2.520 1.00 0.00 N ATOM 801 CA LEU A 57 0.674 15.618 3.712 1.00 0.00 C ATOM 802 C LEU A 57 -0.429 14.617 3.384 1.00 0.00 C ATOM 803 O LEU A 57 -0.890 13.878 4.254 1.00 0.00 O ATOM 804 CB LEU A 57 0.066 16.881 4.325 1.00 0.00 C ATOM 805 CG LEU A 57 1.056 17.874 4.935 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.373 19.204 5.215 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.665 17.306 6.208 1.00 0.00 C ATOM 0 H LEU A 57 1.425 16.943 2.271 1.00 0.00 H new ATOM 0 HA LEU A 57 1.351 15.161 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.506 17.396 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.641 16.581 5.099 1.00 0.00 H new ATOM 0 HG LEU A 57 1.859 18.045 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.093 19.898 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.014 19.617 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.450 19.051 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.367 18.026 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.875 17.105 6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.190 16.379 5.978 1.00 0.00 H new ATOM 819 N MET A 58 -0.847 14.598 2.122 1.00 0.00 N ATOM 820 CA MET A 58 -1.894 13.685 1.678 1.00 0.00 C ATOM 821 C MET A 58 -1.572 12.250 2.083 1.00 0.00 C ATOM 822 O MET A 58 -2.472 11.452 2.346 1.00 0.00 O ATOM 823 CB MET A 58 -2.067 13.773 0.161 1.00 0.00 C ATOM 824 CG MET A 58 -3.346 13.125 -0.344 1.00 0.00 C ATOM 825 SD MET A 58 -3.854 13.752 -1.956 1.00 0.00 S ATOM 826 CE MET A 58 -4.748 15.229 -1.479 1.00 0.00 C ATOM 0 H MET A 58 -0.477 15.204 1.390 1.00 0.00 H new ATOM 0 HA MET A 58 -2.826 13.979 2.160 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.059 14.821 -0.137 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.213 13.297 -0.322 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.202 12.046 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.145 13.298 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.665 15.304 -2.063 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.996 15.178 -0.419 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.127 16.106 -1.665 1.00 0.00 H new ATOM 836 N ILE A 59 -0.283 11.929 2.130 1.00 0.00 N ATOM 837 CA ILE A 59 0.156 10.590 2.504 1.00 0.00 C ATOM 838 C ILE A 59 0.747 10.578 3.909 1.00 0.00 C ATOM 839 O ILE A 59 1.428 11.519 4.316 1.00 0.00 O ATOM 840 CB ILE A 59 1.203 10.045 1.514 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.635 10.031 0.093 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.646 8.649 1.927 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.632 9.217 -0.043 1.00 0.00 C ATOM 0 H ILE A 59 0.475 12.577 1.914 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.726 9.949 2.478 1.00 0.00 H new ATOM 0 HB ILE A 59 2.073 10.701 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.434 11.056 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.388 9.632 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.386 8.277 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.086 8.687 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.784 7.982 1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.978 9.252 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.432 8.183 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.401 9.629 0.611 1.00 0.00 H new ATOM 855 N SER A 60 0.484 9.504 4.647 1.00 0.00 N ATOM 856 CA SER A 60 0.988 9.369 6.008 1.00 0.00 C ATOM 857 C SER A 60 2.097 8.323 6.076 1.00 0.00 C ATOM 858 O SER A 60 2.296 7.551 5.137 1.00 0.00 O ATOM 859 CB SER A 60 -0.147 8.987 6.959 1.00 0.00 C ATOM 860 OG SER A 60 -0.856 7.857 6.480 1.00 0.00 O ATOM 0 H SER A 60 -0.076 8.715 4.325 1.00 0.00 H new ATOM 0 HA SER A 60 1.400 10.331 6.313 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.259 8.773 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.831 9.829 7.071 1.00 0.00 H new ATOM 0 HG SER A 60 -1.575 7.632 7.107 1.00 0.00 H new ATOM 866 N ARG A 61 2.817 8.304 7.193 1.00 0.00 N ATOM 867 CA ARG A 61 3.907 7.355 7.384 1.00 0.00 C ATOM 868 C ARG A 61 3.433 5.926 7.133 1.00 0.00 C ATOM 869 O ARG A 61 4.130 5.133 6.502 1.00 0.00 O ATOM 870 CB ARG A 61 4.474 7.475 8.799 1.00 0.00 C ATOM 871 CG ARG A 61 4.981 8.867 9.137 1.00 0.00 C ATOM 872 CD ARG A 61 5.769 8.874 10.437 1.00 0.00 C ATOM 873 NE ARG A 61 4.920 8.598 11.593 1.00 0.00 N ATOM 874 CZ ARG A 61 4.155 9.512 12.178 1.00 0.00 C ATOM 875 NH1 ARG A 61 4.132 10.755 11.717 1.00 0.00 N ATOM 876 NH2 ARG A 61 3.410 9.184 13.226 1.00 0.00 N ATOM 0 H ARG A 61 2.665 8.935 7.980 1.00 0.00 H new ATOM 0 HA ARG A 61 4.692 7.591 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.702 7.195 9.515 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.290 6.762 8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.612 9.232 8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.137 9.553 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.563 8.129 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.250 9.844 10.564 1.00 0.00 H new ATOM 0 HE ARG A 61 4.914 7.651 11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.703 11.011 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.543 11.455 12.168 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.425 8.229 13.583 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.823 9.887 13.674 1.00 0.00 H new ATOM 890 N ASN A 62 2.244 5.606 7.633 1.00 0.00 N ATOM 891 CA ASN A 62 1.678 4.272 7.465 1.00 0.00 C ATOM 892 C ASN A 62 0.264 4.350 6.897 1.00 0.00 C ATOM 893 O ASN A 62 -0.692 3.882 7.517 1.00 0.00 O ATOM 894 CB ASN A 62 1.663 3.529 8.802 1.00 0.00 C ATOM 895 CG ASN A 62 3.059 3.255 9.327 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.447 3.757 10.382 1.00 0.00 O ATOM 897 ND2 ASN A 62 3.822 2.456 8.590 1.00 0.00 N ATOM 0 H ASN A 62 1.654 6.252 8.158 1.00 0.00 H new ATOM 0 HA ASN A 62 2.304 3.724 6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.111 4.117 9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.130 2.585 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.771 2.236 8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.459 2.062 7.722 1.00 0.00 H new ATOM 904 N HIS A 63 0.138 4.943 5.714 1.00 0.00 N ATOM 905 CA HIS A 63 -1.159 5.081 5.062 1.00 0.00 C ATOM 906 C HIS A 63 -1.870 3.734 4.977 1.00 0.00 C ATOM 907 O HIS A 63 -3.096 3.661 5.070 1.00 0.00 O ATOM 908 CB HIS A 63 -0.989 5.671 3.662 1.00 0.00 C ATOM 909 CG HIS A 63 -2.139 6.529 3.230 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.136 7.903 3.343 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.331 6.201 2.680 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.278 8.383 2.884 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.021 7.370 2.475 1.00 0.00 N ATOM 0 H HIS A 63 0.918 5.336 5.188 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.770 5.757 5.661 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.074 6.263 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.864 4.858 2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.676 5.205 2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.557 9.426 2.849 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.955 7.444 2.072 1.00 0.00 H new ATOM 921 N CYS A 64 -1.093 2.671 4.798 1.00 0.00 N ATOM 922 CA CYS A 64 -1.649 1.326 4.698 1.00 0.00 C ATOM 923 C CYS A 64 -0.561 0.273 4.880 1.00 0.00 C ATOM 924 O CYS A 64 0.630 0.587 4.867 1.00 0.00 O ATOM 925 CB CYS A 64 -2.339 1.136 3.346 1.00 0.00 C ATOM 926 SG CYS A 64 -1.201 1.034 1.945 1.00 0.00 S ATOM 0 H CYS A 64 -0.077 2.714 4.719 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.384 1.203 5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.938 0.226 3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.027 1.965 3.182 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.799 0.464 0.941 1.00 0.00 H new ATOM 932 N VAL A 65 -0.977 -0.978 5.051 1.00 0.00 N ATOM 933 CA VAL A 65 -0.038 -2.077 5.237 1.00 0.00 C ATOM 934 C VAL A 65 -0.587 -3.373 4.651 1.00 0.00 C ATOM 935 O VAL A 65 -1.640 -3.859 5.067 1.00 0.00 O ATOM 936 CB VAL A 65 0.282 -2.296 6.727 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.296 -3.418 6.896 1.00 0.00 C ATOM 938 CG2 VAL A 65 0.790 -1.008 7.357 1.00 0.00 C ATOM 0 H VAL A 65 -1.959 -1.255 5.064 1.00 0.00 H new ATOM 0 HA VAL A 65 0.878 -1.803 4.713 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.635 -2.587 7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.510 -3.558 7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.890 -4.341 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.216 -3.159 6.371 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.011 -1.181 8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.696 -0.685 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.027 -0.234 7.269 1.00 0.00 H new ATOM 948 N LEU A 66 0.133 -3.929 3.682 1.00 0.00 N ATOM 949 CA LEU A 66 -0.281 -5.171 3.038 1.00 0.00 C ATOM 950 C LEU A 66 0.391 -6.374 3.692 1.00 0.00 C ATOM 951 O LEU A 66 1.584 -6.344 3.995 1.00 0.00 O ATOM 952 CB LEU A 66 0.056 -5.132 1.547 1.00 0.00 C ATOM 953 CG LEU A 66 -0.976 -4.456 0.643 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.453 -3.118 0.143 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.334 -5.361 -0.527 1.00 0.00 C ATOM 0 H LEU A 66 1.006 -3.540 3.325 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.360 -5.272 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.009 -4.618 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.198 -6.156 1.200 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.879 -4.275 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.201 -2.652 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.247 -2.467 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.465 -3.275 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.069 -4.864 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.438 -5.573 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.751 -6.295 -0.150 1.00 0.00 H new ATOM 967 N LYS A 67 -0.382 -7.434 3.904 1.00 0.00 N ATOM 968 CA LYS A 67 0.138 -8.650 4.518 1.00 0.00 C ATOM 969 C LYS A 67 -0.753 -9.846 4.197 1.00 0.00 C ATOM 970 O LYS A 67 -1.949 -9.691 3.953 1.00 0.00 O ATOM 971 CB LYS A 67 0.247 -8.474 6.034 1.00 0.00 C ATOM 972 CG LYS A 67 -1.047 -8.019 6.688 1.00 0.00 C ATOM 973 CD LYS A 67 -0.978 -6.559 7.105 1.00 0.00 C ATOM 974 CE LYS A 67 -0.548 -6.414 8.556 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.974 -5.108 9.133 1.00 0.00 N ATOM 0 H LYS A 67 -1.371 -7.475 3.659 1.00 0.00 H new ATOM 0 HA LYS A 67 1.130 -8.838 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.557 -9.419 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.030 -7.747 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.876 -8.161 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.252 -8.638 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.276 -6.029 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.953 -6.093 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.974 -7.227 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.536 -6.505 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.562 -4.997 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.646 -4.334 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.011 -5.080 9.201 1.00 0.00 H new ATOM 989 N GLN A 68 -0.162 -11.036 4.200 1.00 0.00 N ATOM 990 CA GLN A 68 -0.903 -12.257 3.910 1.00 0.00 C ATOM 991 C GLN A 68 -1.410 -12.905 5.194 1.00 0.00 C ATOM 992 O GLN A 68 -0.624 -13.341 6.033 1.00 0.00 O ATOM 993 CB GLN A 68 -0.022 -13.244 3.141 1.00 0.00 C ATOM 994 CG GLN A 68 0.432 -12.726 1.786 1.00 0.00 C ATOM 995 CD GLN A 68 1.180 -13.771 0.982 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.253 -14.225 1.378 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.614 -14.160 -0.155 1.00 0.00 N ATOM 0 H GLN A 68 0.828 -11.180 4.400 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.762 -11.992 3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.855 -13.480 3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.571 -14.175 2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.437 -12.391 1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.073 -11.856 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.277 -13.757 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.070 -14.862 -0.738 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.730 -12.962 5.340 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.343 -13.556 6.524 1.00 0.00 C ATOM 1008 C ASN A 69 -2.781 -14.950 6.786 1.00 0.00 C ATOM 1009 O ASN A 69 -2.203 -15.589 5.906 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.862 -13.629 6.355 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.267 -14.222 5.020 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.710 -15.228 4.580 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.243 -13.601 4.368 1.00 0.00 N ATOM 0 H ASN A 69 -3.395 -12.605 4.654 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.110 -12.923 7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.286 -14.230 7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.284 -12.628 6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.559 -13.955 3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.677 -12.770 4.770 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.956 -15.435 8.024 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.475 -16.759 8.431 1.00 0.00 C ATOM 1022 C PRO A 70 -2.889 -17.852 7.451 1.00 0.00 C ATOM 1023 O PRO A 70 -2.223 -18.880 7.338 1.00 0.00 O ATOM 1024 CB PRO A 70 -3.145 -16.977 9.790 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.375 -15.605 10.323 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.636 -14.728 9.122 1.00 0.00 C ATOM 0 HA PRO A 70 -1.387 -16.805 8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.082 -17.524 9.686 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.509 -17.559 10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.223 -15.590 11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.507 -15.253 10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.703 -14.619 8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.234 -13.725 9.263 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.991 -17.621 6.745 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.493 -18.588 5.775 1.00 0.00 C ATOM 1036 C GLU A 71 -3.544 -18.708 4.586 1.00 0.00 C ATOM 1037 O GLU A 71 -3.316 -19.800 4.068 1.00 0.00 O ATOM 1038 CB GLU A 71 -5.886 -18.181 5.291 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.844 -17.831 6.417 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.297 -18.023 6.028 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.741 -19.187 5.947 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -8.990 -17.008 5.803 1.00 0.00 O ATOM 0 H GLU A 71 -4.553 -16.774 6.826 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.556 -19.559 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.794 -17.324 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.310 -18.996 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.620 -18.450 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.685 -16.795 6.715 1.00 0.00 H new ATOM 1049 N GLY A 72 -2.993 -17.575 4.159 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.076 -17.575 3.034 1.00 0.00 C ATOM 1051 C GLY A 72 -2.562 -16.706 1.891 1.00 0.00 C ATOM 1052 O GLY A 72 -2.123 -16.866 0.752 1.00 0.00 O ATOM 0 H GLY A 72 -3.165 -16.658 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.099 -17.222 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.942 -18.597 2.678 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.472 -15.786 2.194 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.019 -14.891 1.181 1.00 0.00 C ATOM 1058 C GLN A 73 -3.746 -13.433 1.538 1.00 0.00 C ATOM 1059 O GLN A 73 -3.874 -13.033 2.696 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.524 -15.118 1.029 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.211 -14.078 0.159 1.00 0.00 C ATOM 1062 CD GLN A 73 -5.627 -14.007 -1.238 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -4.940 -14.926 -1.683 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -5.899 -12.912 -1.938 1.00 0.00 N ATOM 0 H GLN A 73 -3.846 -15.641 3.132 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.528 -15.112 0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.693 -16.106 0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.985 -15.115 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.274 -14.310 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.127 -13.100 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.473 -12.175 -1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.534 -12.808 -2.885 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.370 -12.645 0.538 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.079 -11.231 0.748 1.00 0.00 C ATOM 1075 C TRP A 74 -4.294 -10.503 1.312 1.00 0.00 C ATOM 1076 O TRP A 74 -5.436 -10.855 1.014 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.643 -10.579 -0.566 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.210 -10.846 -0.914 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.747 -11.647 -1.920 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.055 -10.314 -0.258 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.627 -11.644 -1.927 1.00 0.00 N ATOM 1082 CE2 TRP A 74 1.076 -10.834 -0.918 1.00 0.00 C ATOM 1083 CE3 TRP A 74 0.135 -9.448 0.822 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.375 -10.515 -0.532 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.425 -9.133 1.205 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.532 -9.665 0.529 1.00 0.00 C ATOM 0 H TRP A 74 -3.259 -12.960 -0.426 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.266 -11.156 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.279 -10.943 -1.373 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.799 -9.502 -0.498 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.369 -12.200 -2.608 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.217 -12.161 -2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.711 -9.032 1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.229 -10.924 -1.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.583 -8.466 2.039 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.528 -9.399 0.852 1.00 0.00 H new ATOM 1097 N THR A 75 -4.042 -9.485 2.129 1.00 0.00 N ATOM 1098 CA THR A 75 -5.115 -8.708 2.736 1.00 0.00 C ATOM 1099 C THR A 75 -4.659 -7.286 3.043 1.00 0.00 C ATOM 1100 O THR A 75 -3.689 -7.079 3.772 1.00 0.00 O ATOM 1101 CB THR A 75 -5.619 -9.365 4.035 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.513 -9.886 4.781 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.604 -10.483 3.730 1.00 0.00 C ATOM 0 H THR A 75 -3.103 -9.179 2.386 1.00 0.00 H new ATOM 0 HA THR A 75 -5.930 -8.677 2.013 1.00 0.00 H new ATOM 0 HB THR A 75 -6.130 -8.605 4.626 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.674 -9.571 4.385 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.946 -10.931 4.663 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.458 -10.077 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.115 -11.243 3.120 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.365 -6.310 2.482 1.00 0.00 N ATOM 1112 CA ILE A 76 -5.033 -4.907 2.698 1.00 0.00 C ATOM 1113 C ILE A 76 -5.624 -4.397 4.008 1.00 0.00 C ATOM 1114 O ILE A 76 -6.803 -4.606 4.291 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.539 -4.024 1.542 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -5.081 -2.578 1.737 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -7.055 -4.097 1.444 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -5.115 -1.756 0.468 1.00 0.00 C ATOM 0 H ILE A 76 -6.170 -6.465 1.875 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.946 -4.844 2.744 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.116 -4.396 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.715 -2.103 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.066 -2.578 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.397 -3.468 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.359 -5.128 1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.497 -3.748 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.777 -0.742 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.458 -2.208 -0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.134 -1.725 0.082 1.00 0.00 H new ATOM 1130 N MET A 77 -4.797 -3.726 4.803 1.00 0.00 N ATOM 1131 CA MET A 77 -5.239 -3.183 6.082 1.00 0.00 C ATOM 1132 C MET A 77 -4.681 -1.781 6.299 1.00 0.00 C ATOM 1133 O MET A 77 -3.471 -1.565 6.225 1.00 0.00 O ATOM 1134 CB MET A 77 -4.805 -4.101 7.227 1.00 0.00 C ATOM 1135 CG MET A 77 -5.270 -3.627 8.594 1.00 0.00 C ATOM 1136 SD MET A 77 -3.984 -3.764 9.851 1.00 0.00 S ATOM 1137 CE MET A 77 -2.931 -2.385 9.410 1.00 0.00 C ATOM 0 H MET A 77 -3.817 -3.545 4.584 1.00 0.00 H new ATOM 0 HA MET A 77 -6.327 -3.123 6.067 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.195 -5.103 7.047 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.718 -4.178 7.228 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.594 -2.589 8.523 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.137 -4.212 8.901 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.087 -2.337 10.098 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.562 -2.519 8.393 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.501 -1.458 9.470 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.570 -0.830 6.567 1.00 0.00 N ATOM 1148 CA ASP A 78 -5.165 0.552 6.796 1.00 0.00 C ATOM 1149 C ASP A 78 -4.704 0.752 8.237 1.00 0.00 C ATOM 1150 O ASP A 78 -5.464 0.529 9.178 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.321 1.503 6.481 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.077 2.905 7.004 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.898 3.308 7.091 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -7.064 3.598 7.327 1.00 0.00 O ATOM 0 H ASP A 78 -6.575 -0.991 6.631 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.330 0.775 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.472 1.542 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.240 1.110 6.917 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.454 1.173 8.400 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.891 1.401 9.725 1.00 0.00 C ATOM 1161 C ASN A 79 -3.370 2.732 10.298 1.00 0.00 C ATOM 1162 O ASN A 79 -2.567 3.614 10.605 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.363 1.380 9.664 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.735 1.008 10.993 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.344 1.181 12.049 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.488 0.493 10.946 1.00 0.00 N ATOM 0 H ASN A 79 -2.812 1.363 7.631 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.232 0.599 10.380 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.043 0.669 8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.001 2.361 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.961 0.223 11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.954 0.368 10.048 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.684 2.871 10.439 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.272 4.092 10.976 1.00 0.00 C ATOM 1175 C LYS A 80 -4.755 5.318 10.230 1.00 0.00 C ATOM 1176 O LYS A 80 -3.916 6.060 10.741 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.957 4.220 12.468 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.902 3.433 13.359 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.966 4.018 14.760 1.00 0.00 C ATOM 1180 CE LYS A 80 -6.908 3.225 15.653 1.00 0.00 C ATOM 1181 NZ LYS A 80 -8.291 3.778 15.628 1.00 0.00 N ATOM 0 H LYS A 80 -5.363 2.152 10.188 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.352 4.035 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.937 3.881 12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.997 5.272 12.750 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.899 3.430 12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.573 2.395 13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.968 4.026 15.198 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.299 5.055 14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.927 2.185 15.328 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.532 3.233 16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.903 3.211 16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.277 4.763 15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.660 3.747 14.656 1.00 0.00 H new ATOM 1195 N SER A 81 -5.263 5.526 9.019 1.00 0.00 N ATOM 1196 CA SER A 81 -4.852 6.661 8.202 1.00 0.00 C ATOM 1197 C SER A 81 -5.678 7.899 8.536 1.00 0.00 C ATOM 1198 O SER A 81 -6.760 7.800 9.117 1.00 0.00 O ATOM 1199 CB SER A 81 -4.993 6.325 6.716 1.00 0.00 C ATOM 1200 OG SER A 81 -6.324 5.956 6.401 1.00 0.00 O ATOM 0 H SER A 81 -5.960 4.923 8.582 1.00 0.00 H new ATOM 0 HA SER A 81 -3.806 6.874 8.421 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.699 7.186 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.316 5.511 6.458 1.00 0.00 H new ATOM 0 HG SER A 81 -6.630 5.268 7.028 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.163 9.065 8.163 1.00 0.00 N ATOM 1207 CA LEU A 82 -5.852 10.325 8.422 1.00 0.00 C ATOM 1208 C LEU A 82 -6.755 10.702 7.252 1.00 0.00 C ATOM 1209 O LEU A 82 -7.850 11.227 7.445 1.00 0.00 O ATOM 1210 CB LEU A 82 -4.838 11.441 8.679 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.384 12.868 8.633 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.376 13.097 9.763 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -4.248 13.877 8.705 1.00 0.00 C ATOM 0 H LEU A 82 -4.270 9.165 7.680 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.472 10.196 9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.388 11.277 9.658 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.039 11.355 7.942 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.906 13.006 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.754 14.118 9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.206 12.398 9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.880 12.939 10.720 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.656 14.887 8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.697 13.739 9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.575 13.729 7.860 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.288 10.427 6.038 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.054 10.736 4.837 1.00 0.00 C ATOM 1227 C ASN A 83 -8.096 9.656 4.563 1.00 0.00 C ATOM 1228 O ASN A 83 -9.295 9.928 4.535 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.120 10.876 3.633 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.313 12.160 3.673 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -5.536 13.071 2.876 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -4.370 12.237 4.605 1.00 0.00 N ATOM 0 H ASN A 83 -5.383 9.991 5.861 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.571 11.682 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.441 10.024 3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.708 10.848 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.795 13.076 4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.220 11.457 5.245 1.00 0.00 H new ATOM 1239 N GLY A 84 -7.628 8.427 4.362 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.531 7.324 4.093 1.00 0.00 C ATOM 1241 C GLY A 84 -8.109 6.509 2.887 1.00 0.00 C ATOM 1242 O GLY A 84 -7.474 7.028 1.969 1.00 0.00 O ATOM 0 H GLY A 84 -6.639 8.176 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.577 6.675 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.536 7.713 3.931 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.459 5.226 2.890 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.112 4.337 1.788 1.00 0.00 C ATOM 1248 C VAL A 85 -9.361 3.823 1.081 1.00 0.00 C ATOM 1249 O VAL A 85 -10.352 3.477 1.724 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.282 3.135 2.277 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -5.860 3.566 2.603 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -7.942 2.488 3.485 1.00 0.00 C ATOM 0 H VAL A 85 -8.982 4.780 3.643 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.516 4.921 1.087 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.238 2.396 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.288 2.704 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.391 3.979 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.880 4.324 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.342 1.641 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.018 3.217 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.939 2.142 3.213 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.307 3.777 -0.245 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.435 3.304 -1.040 1.00 0.00 C ATOM 1264 C TRP A 86 -10.089 2.005 -1.758 1.00 0.00 C ATOM 1265 O TRP A 86 -9.027 1.887 -2.372 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.849 4.369 -2.057 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.062 5.722 -1.449 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.106 6.660 -1.184 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.308 6.286 -1.027 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.683 7.774 -0.623 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.033 7.570 -0.517 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.630 5.832 -1.033 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.032 8.402 -0.018 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.620 6.659 -0.536 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.317 7.932 -0.035 1.00 0.00 C ATOM 0 H TRP A 86 -8.495 4.061 -0.793 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.269 3.112 -0.365 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.082 4.442 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.768 4.052 -2.550 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.051 6.544 -1.386 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.186 8.616 -0.333 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.874 4.853 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.801 9.384 0.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.645 6.318 -0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.113 8.555 0.345 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.989 1.032 -1.677 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.779 -0.261 -2.320 1.00 0.00 C ATOM 1288 C LEU A 87 -11.971 -0.634 -3.195 1.00 0.00 C ATOM 1289 O LEU A 87 -13.051 -0.941 -2.692 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.545 -1.345 -1.267 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.330 -2.762 -1.798 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.024 -2.849 -2.573 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.342 -3.768 -0.656 1.00 0.00 C ATOM 0 H LEU A 87 -11.872 1.113 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.896 -0.184 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.674 -1.065 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.400 -1.358 -0.592 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.149 -3.003 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.888 -3.865 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.053 -2.157 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.194 -2.588 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.188 -4.771 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.544 -3.529 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.303 -3.725 -0.143 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.766 -0.608 -4.508 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.824 -0.946 -5.454 1.00 0.00 C ATOM 1307 C ASN A 88 -14.033 -0.034 -5.265 1.00 0.00 C ATOM 1308 O ASN A 88 -15.169 -0.502 -5.183 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.242 -2.408 -5.283 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.302 -3.364 -5.990 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.840 -3.092 -7.099 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.014 -4.492 -5.351 1.00 0.00 N ATOM 0 H ASN A 88 -10.877 -0.357 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.436 -0.802 -6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.273 -2.652 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.252 -2.542 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.387 -5.174 -5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.420 -4.676 -4.433 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.780 1.269 -5.198 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.848 2.246 -5.019 1.00 0.00 C ATOM 1321 C ARG A 89 -15.577 2.018 -3.699 1.00 0.00 C ATOM 1322 O ARG A 89 -16.807 2.014 -3.650 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.839 2.169 -6.182 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.173 2.109 -7.547 1.00 0.00 C ATOM 1325 CD ARG A 89 -14.400 3.384 -7.846 1.00 0.00 C ATOM 1326 NE ARG A 89 -14.247 3.607 -9.282 1.00 0.00 N ATOM 1327 CZ ARG A 89 -13.471 4.552 -9.800 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -12.781 5.358 -9.004 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -13.383 4.692 -11.116 1.00 0.00 N ATOM 0 H ARG A 89 -12.846 1.673 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.399 3.239 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.468 1.288 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.497 3.037 -6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.497 1.255 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -15.930 1.952 -8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.916 4.234 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.416 3.329 -7.381 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.764 3.004 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.846 5.253 -7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.186 6.083 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.912 4.074 -11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.787 5.418 -11.513 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.811 1.828 -2.630 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.384 1.601 -1.309 1.00 0.00 C ATOM 1345 C ALA A 90 -14.405 2.000 -0.210 1.00 0.00 C ATOM 1346 O ALA A 90 -13.271 1.522 -0.172 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.790 0.143 -1.153 1.00 0.00 C ATOM 0 H ALA A 90 -13.791 1.827 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.272 2.226 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.216 -0.012 -0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.531 -0.111 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.914 -0.494 -1.275 1.00 0.00 H new ATOM 1353 N ARG A 91 -14.851 2.878 0.683 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.013 3.342 1.782 1.00 0.00 C ATOM 1355 C ARG A 91 -13.779 2.226 2.796 1.00 0.00 C ATOM 1356 O ARG A 91 -14.721 1.569 3.240 1.00 0.00 O ATOM 1357 CB ARG A 91 -14.659 4.545 2.471 1.00 0.00 C ATOM 1358 CG ARG A 91 -13.892 5.034 3.689 1.00 0.00 C ATOM 1359 CD ARG A 91 -13.962 6.547 3.822 1.00 0.00 C ATOM 1360 NE ARG A 91 -13.919 6.977 5.217 1.00 0.00 N ATOM 1361 CZ ARG A 91 -12.806 7.016 5.940 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -11.649 6.653 5.403 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -12.848 7.419 7.204 1.00 0.00 N ATOM 0 H ARG A 91 -15.787 3.282 0.667 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.050 3.642 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.744 5.361 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.672 4.279 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.299 4.570 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.850 4.722 3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.132 6.997 3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.880 6.909 3.359 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.792 7.263 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.612 6.343 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.796 6.684 5.961 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.736 7.699 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.992 7.449 7.759 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.518 2.018 3.159 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.160 0.981 4.120 1.00 0.00 C ATOM 1379 C LEU A 92 -12.043 1.560 5.527 1.00 0.00 C ATOM 1380 O LEU A 92 -11.903 2.770 5.700 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.842 0.318 3.718 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.726 -0.113 2.255 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.277 -0.401 1.896 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.596 -1.334 1.989 1.00 0.00 C ATOM 0 H LEU A 92 -11.727 2.554 2.802 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.951 0.231 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.029 1.010 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.693 -0.559 4.347 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.078 0.705 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.215 -0.706 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.679 0.498 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.897 -1.201 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.502 -1.627 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.273 -2.157 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.637 -1.093 2.206 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.098 0.686 6.527 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.997 1.112 7.918 1.00 0.00 C ATOM 1398 C GLU A 93 -10.586 0.887 8.455 1.00 0.00 C ATOM 1399 O GLU A 93 -9.805 0.106 7.910 1.00 0.00 O ATOM 1400 CB GLU A 93 -13.009 0.356 8.782 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.322 1.097 8.970 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.485 0.163 9.241 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.312 -0.790 10.029 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.570 0.385 8.663 1.00 0.00 O ATOM 0 H GLU A 93 -12.212 -0.320 6.400 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.218 2.178 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.211 -0.613 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.567 0.163 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.224 1.799 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.534 1.686 8.077 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.250 1.587 9.548 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.933 1.481 10.182 1.00 0.00 C ATOM 1413 C PRO A 94 -8.724 0.133 10.862 1.00 0.00 C ATOM 1414 O PRO A 94 -9.559 -0.313 11.650 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.947 2.607 11.219 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.389 2.821 11.526 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.131 2.536 10.249 1.00 0.00 C ATOM 0 HA PRO A 94 -8.124 1.561 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.389 2.329 12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.487 3.514 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.720 2.159 12.326 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.569 3.842 11.862 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.113 2.105 10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.290 3.443 9.666 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.604 -0.512 10.555 1.00 0.00 N ATOM 1426 CA LEU A 95 -7.284 -1.811 11.137 1.00 0.00 C ATOM 1427 C LEU A 95 -8.321 -2.856 10.739 1.00 0.00 C ATOM 1428 O LEU A 95 -8.849 -3.576 11.587 1.00 0.00 O ATOM 1429 CB LEU A 95 -7.211 -1.704 12.661 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.584 -0.424 13.215 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.479 -0.493 14.731 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -5.215 -0.189 12.594 1.00 0.00 C ATOM 0 H LEU A 95 -6.902 -0.157 9.906 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.313 -2.125 10.753 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.221 -1.792 13.060 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.644 -2.555 13.038 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.228 0.416 12.954 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.030 0.427 15.107 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.474 -0.613 15.160 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.857 -1.342 15.014 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.784 0.726 13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.562 -1.031 12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.317 -0.094 11.513 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.606 -2.936 9.443 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.578 -3.894 8.932 1.00 0.00 C ATOM 1446 C ARG A 96 -8.935 -4.832 7.915 1.00 0.00 C ATOM 1447 O ARG A 96 -7.976 -4.465 7.235 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.759 -3.162 8.291 1.00 0.00 C ATOM 1449 CG ARG A 96 -12.077 -3.910 8.411 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.817 -3.533 9.685 1.00 0.00 C ATOM 1451 NE ARG A 96 -12.396 -4.345 10.824 1.00 0.00 N ATOM 1452 CZ ARG A 96 -12.662 -4.034 12.087 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -13.345 -2.934 12.373 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -12.244 -4.824 13.069 1.00 0.00 N ATOM 0 H ARG A 96 -8.177 -2.348 8.728 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.939 -4.489 9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.864 -2.182 8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.542 -2.993 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.703 -3.688 7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.890 -4.984 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.643 -2.480 9.907 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.889 -3.654 9.531 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.868 -5.198 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.668 -2.324 11.622 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.548 -2.698 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.718 -5.671 12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.449 -4.584 14.039 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.468 -6.046 7.816 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.946 -7.037 6.882 1.00 0.00 C ATOM 1470 C VAL A 97 -9.794 -7.099 5.617 1.00 0.00 C ATOM 1471 O VAL A 97 -11.004 -7.319 5.678 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.894 -8.437 7.521 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.202 -9.423 6.592 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -8.193 -8.381 8.870 1.00 0.00 C ATOM 0 H VAL A 97 -10.261 -6.367 8.371 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.934 -6.726 6.623 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.915 -8.782 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.175 -10.407 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.751 -9.484 5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.184 -9.086 6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.165 -9.379 9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.175 -8.015 8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.736 -7.709 9.534 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.151 -6.904 4.471 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.846 -6.935 3.190 1.00 0.00 C ATOM 1486 C TYR A 98 -9.042 -7.712 2.152 1.00 0.00 C ATOM 1487 O TYR A 98 -8.019 -7.236 1.659 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.104 -5.513 2.690 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.267 -4.832 3.376 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.576 -5.085 2.983 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -11.057 -3.937 4.417 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.641 -4.464 3.606 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -12.117 -3.313 5.048 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.407 -3.579 4.638 1.00 0.00 C ATOM 1495 OH TYR A 98 -14.465 -2.960 5.262 1.00 0.00 O ATOM 0 H TYR A 98 -8.150 -6.723 4.403 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.801 -7.440 3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.205 -4.916 2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.293 -5.543 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.764 -5.779 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.048 -3.725 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.652 -4.670 3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.936 -2.621 5.857 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.128 -2.369 5.967 1.00 0.00 H new ATOM 1505 N SER A 99 -9.511 -8.912 1.826 1.00 0.00 N ATOM 1506 CA SER A 99 -8.835 -9.758 0.849 1.00 0.00 C ATOM 1507 C SER A 99 -8.807 -9.090 -0.522 1.00 0.00 C ATOM 1508 O SER A 99 -9.844 -8.693 -1.052 1.00 0.00 O ATOM 1509 CB SER A 99 -9.531 -11.117 0.752 1.00 0.00 C ATOM 1510 OG SER A 99 -10.263 -11.401 1.932 1.00 0.00 O ATOM 0 H SER A 99 -10.357 -9.321 2.224 1.00 0.00 H new ATOM 0 HA SER A 99 -7.808 -9.906 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.202 -11.125 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.789 -11.898 0.584 1.00 0.00 H new ATOM 0 HG SER A 99 -11.176 -11.058 1.841 1.00 0.00 H new ATOM 1516 N ILE A 100 -7.611 -8.969 -1.089 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.447 -8.350 -2.398 1.00 0.00 C ATOM 1518 C ILE A 100 -7.151 -9.396 -3.468 1.00 0.00 C ATOM 1519 O ILE A 100 -6.424 -10.359 -3.225 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.314 -7.307 -2.390 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.039 -7.911 -1.797 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.736 -6.073 -1.605 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -3.776 -7.201 -2.231 1.00 0.00 C ATOM 0 H ILE A 100 -6.742 -9.291 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.388 -7.851 -2.631 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.108 -7.008 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.106 -7.884 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.975 -8.960 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.925 -5.345 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.620 -5.633 -2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.965 -6.356 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.912 -7.683 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.686 -7.250 -3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.819 -6.158 -1.917 1.00 0.00 H new ATOM 1535 N HIS A 101 -7.719 -9.198 -4.654 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.514 -10.124 -5.763 1.00 0.00 C ATOM 1537 C HIS A 101 -7.332 -9.367 -7.075 1.00 0.00 C ATOM 1538 O HIS A 101 -7.446 -8.142 -7.116 1.00 0.00 O ATOM 1539 CB HIS A 101 -8.696 -11.087 -5.875 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.096 -11.700 -4.569 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -8.641 -12.930 -4.144 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -9.913 -11.244 -3.591 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.162 -13.205 -2.961 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -9.937 -12.198 -2.603 1.00 0.00 N ATOM 0 H HIS A 101 -8.324 -8.406 -4.872 1.00 0.00 H new ATOM 0 HA HIS A 101 -6.607 -10.696 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.550 -10.554 -6.293 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.441 -11.881 -6.577 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -8.002 -13.533 -4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.447 -10.305 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.984 -14.101 -2.385 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.049 -10.105 -8.144 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.850 -9.502 -9.456 1.00 0.00 C ATOM 1554 C GLN A 102 -8.076 -8.700 -9.879 1.00 0.00 C ATOM 1555 O GLN A 102 -9.111 -9.266 -10.227 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.549 -10.583 -10.496 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.527 -10.063 -11.925 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.545 -10.813 -12.803 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -5.805 -11.940 -13.224 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.407 -10.189 -13.085 1.00 0.00 N ATOM 0 H GLN A 102 -6.953 -11.120 -8.127 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.000 -8.823 -9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.584 -11.036 -10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.298 -11.371 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.526 -10.144 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.268 -9.004 -11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.232 -9.255 -12.715 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.708 -10.644 -13.672 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.952 -7.377 -9.845 1.00 0.00 N ATOM 1570 CA GLY A 103 -9.058 -6.518 -10.226 1.00 0.00 C ATOM 1571 C GLY A 103 -9.454 -5.558 -9.122 1.00 0.00 C ATOM 1572 O GLY A 103 -10.615 -5.162 -9.021 1.00 0.00 O ATOM 0 H GLY A 103 -7.105 -6.885 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.784 -5.951 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.917 -7.134 -10.493 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.487 -5.184 -8.291 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.741 -4.264 -7.187 1.00 0.00 C ATOM 1578 C ASP A 104 -8.179 -2.879 -7.494 1.00 0.00 C ATOM 1579 O ASP A 104 -7.431 -2.701 -8.455 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.126 -4.803 -5.895 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.108 -5.627 -5.086 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.954 -6.312 -5.699 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.032 -5.587 -3.840 1.00 0.00 O ATOM 0 H ASP A 104 -7.521 -5.503 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.820 -4.178 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.257 -5.414 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.771 -3.969 -5.290 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.546 -1.903 -6.672 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.081 -0.533 -6.857 1.00 0.00 C ATOM 1590 C TYR A 105 -7.841 0.147 -5.512 1.00 0.00 C ATOM 1591 O TYR A 105 -8.784 0.537 -4.824 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.099 0.267 -7.671 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.759 0.363 -9.141 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.932 -0.725 -9.987 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.264 1.542 -9.684 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.621 -0.643 -11.330 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -7.952 1.635 -11.026 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.132 0.540 -11.845 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.823 0.627 -13.183 1.00 0.00 O ATOM 0 H TYR A 105 -9.164 -2.034 -5.871 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.137 -0.567 -7.400 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.081 -0.194 -7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.172 1.273 -7.257 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.317 -1.652 -9.587 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.121 2.401 -9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.760 -1.499 -11.973 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.569 2.560 -11.432 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.492 1.527 -13.384 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.571 0.285 -5.146 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.205 0.920 -3.886 1.00 0.00 C ATOM 1611 C ILE A 106 -5.927 2.406 -4.079 1.00 0.00 C ATOM 1612 O ILE A 106 -5.045 2.788 -4.848 1.00 0.00 O ATOM 1613 CB ILE A 106 -4.965 0.254 -3.260 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.225 -1.235 -3.020 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.592 0.948 -1.958 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.775 -2.118 -4.163 1.00 0.00 C ATOM 0 H ILE A 106 -5.779 -0.034 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.053 0.797 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.130 0.351 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.711 -1.543 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.291 -1.387 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.714 0.466 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.370 1.997 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.424 0.879 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.990 -3.160 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.307 -1.836 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.703 -1.995 -4.318 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.684 3.241 -3.373 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.517 4.686 -3.467 1.00 0.00 C ATOM 1630 C GLN A 107 -6.060 5.269 -2.133 1.00 0.00 C ATOM 1631 O GLN A 107 -6.866 5.473 -1.224 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.828 5.345 -3.902 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.631 6.632 -4.686 1.00 0.00 C ATOM 1634 CD GLN A 107 -8.941 7.318 -5.021 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.541 7.058 -6.064 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.391 8.199 -4.136 1.00 0.00 N ATOM 0 H GLN A 107 -7.418 2.941 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.750 4.890 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.394 4.641 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.430 5.556 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.006 7.313 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.094 6.412 -5.609 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.860 8.383 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.267 8.692 -4.307 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.764 5.534 -2.023 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.199 6.093 -0.799 1.00 0.00 C ATOM 1647 C LEU A 108 -4.572 7.565 -0.650 1.00 0.00 C ATOM 1648 O LEU A 108 -3.860 8.448 -1.127 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.677 5.939 -0.800 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.146 4.513 -0.947 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.628 4.514 -1.029 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.620 3.646 0.211 1.00 0.00 C ATOM 0 H LEU A 108 -4.084 5.371 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.613 5.544 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.272 6.542 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.289 6.355 0.130 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.538 4.093 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.269 3.490 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.311 5.100 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.215 4.953 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.233 2.634 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.258 4.064 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.710 3.618 0.223 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.693 7.821 0.017 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.141 9.186 0.219 1.00 0.00 C ATOM 1666 C GLY A 109 -7.295 9.559 -0.691 1.00 0.00 C ATOM 1667 O GLY A 109 -7.918 8.692 -1.302 1.00 0.00 O ATOM 0 H GLY A 109 -6.299 7.107 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.445 9.315 1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.309 9.868 0.043 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.581 10.854 -0.780 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.668 11.340 -1.622 1.00 0.00 C ATOM 1673 C VAL A 110 -8.147 12.276 -2.707 1.00 0.00 C ATOM 1674 O VAL A 110 -7.085 12.886 -2.578 1.00 0.00 O ATOM 1675 CB VAL A 110 -9.734 12.079 -0.791 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.627 11.086 -0.063 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.074 13.034 0.193 1.00 0.00 C ATOM 0 H VAL A 110 -7.075 11.585 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.122 10.466 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.357 12.663 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.374 11.627 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.127 10.446 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.021 10.473 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.842 13.548 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.427 12.472 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.480 13.767 -0.354 1.00 0.00 H new ATOM 1687 N PRO A 111 -8.911 12.394 -3.803 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.547 13.255 -4.932 1.00 0.00 C ATOM 1689 C PRO A 111 -8.643 14.737 -4.586 1.00 0.00 C ATOM 1690 O PRO A 111 -9.347 15.122 -3.652 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.576 12.888 -6.004 1.00 0.00 C ATOM 1692 CG PRO A 111 -10.750 12.376 -5.243 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.189 11.697 -4.024 1.00 0.00 C ATOM 0 HA PRO A 111 -7.514 13.103 -5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.844 13.754 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.186 12.132 -6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.419 13.190 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.332 11.678 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.855 11.797 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.041 10.630 -4.191 1.00 0.00 H new ATOM 1701 N LEU A 112 -7.933 15.564 -5.345 1.00 0.00 N ATOM 1702 CA LEU A 112 -7.939 17.005 -5.119 1.00 0.00 C ATOM 1703 C LEU A 112 -9.099 17.667 -5.854 1.00 0.00 C ATOM 1704 O LEU A 112 -9.884 16.997 -6.525 1.00 0.00 O ATOM 1705 CB LEU A 112 -6.614 17.618 -5.576 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.423 17.419 -4.638 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -5.743 17.945 -3.248 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.033 15.949 -4.577 1.00 0.00 C ATOM 0 H LEU A 112 -7.346 15.262 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.064 17.180 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.359 17.198 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.762 18.688 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.578 17.984 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.883 17.794 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.973 19.009 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.603 17.409 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.184 15.825 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.876 15.364 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.760 15.603 -5.574 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.451 10.281 -7.685 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.250 10.380 -6.865 1.00 0.00 C ATOM 1802 C ALA A 118 -4.996 10.121 -7.693 1.00 0.00 C ATOM 1803 O ALA A 118 -4.878 9.087 -8.349 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.326 9.405 -5.699 1.00 0.00 C ATOM 0 HA ALA A 118 -6.190 11.395 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.423 9.489 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.196 9.639 -5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.414 8.388 -6.080 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.064 11.068 -7.658 1.00 0.00 N ATOM 1811 CA GLU A 119 -2.819 10.941 -8.408 1.00 0.00 C ATOM 1812 C GLU A 119 -2.139 9.608 -8.111 1.00 0.00 C ATOM 1813 O GLU A 119 -1.443 9.051 -8.961 1.00 0.00 O ATOM 1814 CB GLU A 119 -1.874 12.095 -8.068 1.00 0.00 C ATOM 1815 CG GLU A 119 -1.263 11.994 -6.681 1.00 0.00 C ATOM 1816 CD GLU A 119 -0.255 13.092 -6.406 1.00 0.00 C ATOM 1817 OE1 GLU A 119 0.719 13.212 -7.179 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -0.439 13.833 -5.417 1.00 0.00 O ATOM 0 H GLU A 119 -4.147 11.930 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.059 10.978 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.073 12.127 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.419 13.035 -8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.056 12.039 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.777 11.024 -6.572 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.345 9.102 -6.900 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.749 7.836 -6.490 1.00 0.00 C ATOM 1827 C TYR A 120 -2.781 6.713 -6.522 1.00 0.00 C ATOM 1828 O TYR A 120 -3.645 6.625 -5.650 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.156 7.959 -5.085 1.00 0.00 C ATOM 1830 CG TYR A 120 0.224 8.576 -5.062 1.00 0.00 C ATOM 1831 CD1 TYR A 120 1.329 7.872 -5.524 1.00 0.00 C ATOM 1832 CD2 TYR A 120 0.423 9.864 -4.579 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.592 8.432 -5.504 1.00 0.00 C ATOM 1834 CE2 TYR A 120 1.682 10.432 -4.557 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.763 9.712 -5.020 1.00 0.00 C ATOM 1836 OH TYR A 120 4.019 10.273 -5.000 1.00 0.00 O ATOM 0 H TYR A 120 -2.920 9.549 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 120 -0.953 7.593 -7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.824 8.561 -4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.110 6.969 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.199 6.870 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.421 10.430 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.441 7.870 -5.865 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.819 11.434 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 120 3.967 11.179 -4.630 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.682 5.856 -7.533 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.607 4.738 -7.680 1.00 0.00 C ATOM 1848 C GLU A 121 -2.889 3.506 -8.222 1.00 0.00 C ATOM 1849 O GLU A 121 -1.937 3.618 -8.994 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.761 5.120 -8.609 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.948 5.733 -7.885 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.733 6.692 -8.759 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.641 6.575 -9.999 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.438 7.560 -8.203 1.00 0.00 O ATOM 0 H GLU A 121 -1.971 5.914 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.008 4.499 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.397 5.826 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.093 4.232 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.609 4.938 -7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.595 6.261 -6.999 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.353 2.330 -7.813 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.755 1.076 -8.255 1.00 0.00 C ATOM 1863 C TYR A 122 -3.829 0.033 -8.546 1.00 0.00 C ATOM 1864 O TYR A 122 -5.022 0.301 -8.411 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.788 0.547 -7.194 1.00 0.00 C ATOM 1866 CG TYR A 122 -0.867 1.606 -6.632 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.271 2.418 -5.579 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.407 1.796 -7.153 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.434 3.388 -5.062 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.251 2.762 -6.642 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.827 3.555 -5.597 1.00 0.00 C ATOM 1872 OH TYR A 122 1.665 4.520 -5.085 1.00 0.00 O ATOM 0 H TYR A 122 -4.142 2.219 -7.176 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.204 1.270 -9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.362 0.107 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.187 -0.252 -7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.257 2.288 -5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.743 1.177 -7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.764 4.012 -4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.238 2.896 -7.059 1.00 0.00 H new ATOM 0 HH TYR A 122 1.132 5.266 -4.738 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.394 -1.158 -8.945 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.318 -2.243 -9.256 1.00 0.00 C ATOM 1884 C GLU A 123 -3.682 -3.600 -8.967 1.00 0.00 C ATOM 1885 O GLU A 123 -2.665 -3.960 -9.560 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.749 -2.171 -10.723 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.773 -3.226 -11.108 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.691 -3.610 -12.573 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.118 -2.829 -13.361 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.200 -4.694 -12.930 1.00 0.00 O ATOM 0 H GLU A 123 -2.409 -1.396 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.197 -2.131 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.164 -1.183 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.870 -2.281 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.623 -4.114 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.774 -2.853 -10.889 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.287 -4.348 -8.050 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.781 -5.664 -7.682 1.00 0.00 C ATOM 1899 C VAL A 124 -3.753 -6.599 -8.886 1.00 0.00 C ATOM 1900 O VAL A 124 -4.780 -6.851 -9.516 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.636 -6.303 -6.571 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.112 -7.689 -6.225 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.661 -5.411 -5.339 1.00 0.00 C ATOM 0 H VAL A 124 -5.129 -4.064 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.765 -5.521 -7.313 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.657 -6.407 -6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.728 -8.125 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.150 -8.324 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.082 -7.612 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.269 -5.878 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.645 -5.273 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.087 -4.442 -5.600 1.00 0.00 H new ATOM 1913 N THR A 125 -2.568 -7.112 -9.202 1.00 0.00 N ATOM 1914 CA THR A 125 -2.404 -8.018 -10.332 1.00 0.00 C ATOM 1915 C THR A 125 -1.250 -8.986 -10.097 1.00 0.00 C ATOM 1916 O THR A 125 -0.276 -8.653 -9.422 1.00 0.00 O ATOM 1917 CB THR A 125 -2.152 -7.245 -11.640 1.00 0.00 C ATOM 1918 OG1 THR A 125 -2.023 -8.162 -12.733 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.895 -6.395 -11.534 1.00 0.00 C ATOM 0 H THR A 125 -1.707 -6.915 -8.691 1.00 0.00 H new ATOM 0 HA THR A 125 -3.333 -8.580 -10.424 1.00 0.00 H new ATOM 0 HB THR A 125 -3.002 -6.586 -11.816 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.865 -7.663 -13.562 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.738 -5.859 -12.470 1.00 0.00 H new ATOM 0 HG22 THR A 125 -1.008 -5.679 -10.720 1.00 0.00 H new ATOM 0 HG23 THR A 125 -0.037 -7.037 -11.336 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.365 -10.185 -10.659 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.330 -11.201 -10.509 1.00 0.00 C ATOM 1929 C GLU A 126 0.552 -11.266 -11.753 1.00 0.00 C ATOM 1930 O GLU A 126 0.071 -11.530 -12.854 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.962 -12.570 -10.247 1.00 0.00 C ATOM 1932 CG GLU A 126 -0.055 -13.524 -9.489 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.814 -14.681 -8.868 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -2.030 -14.798 -9.125 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.191 -15.468 -8.125 1.00 0.00 O ATOM 0 H GLU A 126 -2.164 -10.476 -11.222 1.00 0.00 H new ATOM 0 HA GLU A 126 0.292 -10.927 -9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.884 -12.433 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.236 -13.023 -11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.704 -13.914 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.469 -12.976 -8.706 1.00 0.00 H new ATOM 1942 N GLU A 127 1.846 -11.023 -11.566 1.00 0.00 N ATOM 1943 CA GLU A 127 2.795 -11.052 -12.673 1.00 0.00 C ATOM 1944 C GLU A 127 4.136 -11.626 -12.225 1.00 0.00 C ATOM 1945 O GLU A 127 4.516 -11.507 -11.060 1.00 0.00 O ATOM 1946 CB GLU A 127 2.994 -9.645 -13.240 1.00 0.00 C ATOM 1947 CG GLU A 127 1.820 -9.150 -14.067 1.00 0.00 C ATOM 1948 CD GLU A 127 1.688 -9.879 -15.390 1.00 0.00 C ATOM 1949 OE1 GLU A 127 1.257 -11.050 -15.382 1.00 0.00 O ATOM 1950 OE2 GLU A 127 2.017 -9.276 -16.434 1.00 0.00 O ATOM 0 H GLU A 127 2.260 -10.804 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 127 2.386 -11.695 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.165 -8.952 -12.417 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.892 -9.635 -13.857 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.900 -9.274 -13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.937 -8.083 -14.255 1.00 0.00 H new ATOM 1957 N ASP A 128 4.847 -12.250 -13.157 1.00 0.00 N ATOM 1958 CA ASP A 128 6.145 -12.843 -12.860 1.00 0.00 C ATOM 1959 C ASP A 128 7.164 -11.767 -12.496 1.00 0.00 C ATOM 1960 O ASP A 128 7.069 -10.629 -12.955 1.00 0.00 O ATOM 1961 CB ASP A 128 6.646 -13.654 -14.056 1.00 0.00 C ATOM 1962 CG ASP A 128 5.778 -14.864 -14.340 1.00 0.00 C ATOM 1963 OD1 ASP A 128 5.881 -15.856 -13.589 1.00 0.00 O ATOM 1964 OD2 ASP A 128 4.997 -14.820 -15.313 1.00 0.00 O ATOM 0 H ASP A 128 4.546 -12.358 -14.126 1.00 0.00 H new ATOM 0 HA ASP A 128 6.025 -13.508 -12.005 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.673 -13.015 -14.939 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.669 -13.980 -13.867 1.00 0.00 H new ATOM 1969 N TRP A 129 8.135 -12.135 -11.669 1.00 0.00 N ATOM 1970 CA TRP A 129 9.171 -11.201 -11.243 1.00 0.00 C ATOM 1971 C TRP A 129 9.915 -10.628 -12.445 1.00 0.00 C ATOM 1972 O TRP A 129 10.361 -9.482 -12.420 1.00 0.00 O ATOM 1973 CB TRP A 129 10.156 -11.894 -10.301 1.00 0.00 C ATOM 1974 CG TRP A 129 11.435 -11.135 -10.116 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.646 -11.421 -10.680 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.631 -9.968 -9.311 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.582 -10.501 -10.273 1.00 0.00 N ATOM 1978 CE2 TRP A 129 12.985 -9.599 -9.434 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.794 -9.197 -8.499 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.517 -8.494 -8.775 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.324 -8.102 -7.845 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.675 -7.758 -7.987 1.00 0.00 C ATOM 0 H TRP A 129 8.227 -13.073 -11.280 1.00 0.00 H new ATOM 0 HA TRP A 129 8.689 -10.380 -10.712 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.681 -12.034 -9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.384 -12.886 -10.691 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.839 -12.248 -11.347 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.563 -10.492 -10.551 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.751 -9.453 -8.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.558 -8.227 -8.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.687 -7.501 -7.214 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.059 -6.895 -7.464 1.00 0.00 H new ATOM 1993 N GLU A 130 10.045 -11.434 -13.494 1.00 0.00 N ATOM 1994 CA GLU A 130 10.736 -11.005 -14.704 1.00 0.00 C ATOM 1995 C GLU A 130 9.886 -10.016 -15.496 1.00 0.00 C ATOM 1996 O GLU A 130 10.338 -9.444 -16.488 1.00 0.00 O ATOM 1997 CB GLU A 130 11.078 -12.214 -15.578 1.00 0.00 C ATOM 1998 CG GLU A 130 11.710 -13.362 -14.809 1.00 0.00 C ATOM 1999 CD GLU A 130 12.937 -13.923 -15.501 1.00 0.00 C ATOM 2000 OE1 GLU A 130 12.932 -14.000 -16.747 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.901 -14.285 -14.795 1.00 0.00 O ATOM 0 H GLU A 130 9.681 -12.386 -13.530 1.00 0.00 H new ATOM 0 HA GLU A 130 11.659 -10.507 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.169 -12.570 -16.063 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.759 -11.899 -16.369 1.00 0.00 H new ATOM 0 HG2 GLU A 130 11.985 -13.018 -13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 130 10.975 -14.157 -14.681 1.00 0.00 H new ATOM 2008 N THR A 131 8.649 -9.819 -15.050 1.00 0.00 N ATOM 2009 CA THR A 131 7.733 -8.902 -15.716 1.00 0.00 C ATOM 2010 C THR A 131 7.664 -7.566 -14.984 1.00 0.00 C ATOM 2011 O THR A 131 7.478 -6.518 -15.603 1.00 0.00 O ATOM 2012 CB THR A 131 6.315 -9.494 -15.812 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.345 -10.717 -16.557 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.362 -8.513 -16.478 1.00 0.00 C ATOM 0 H THR A 131 8.259 -10.283 -14.230 1.00 0.00 H new ATOM 0 HA THR A 131 8.121 -8.744 -16.722 1.00 0.00 H new ATOM 0 HB THR A 131 5.959 -9.692 -14.801 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.440 -11.089 -16.612 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.367 -8.954 -16.534 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.319 -7.594 -15.894 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.716 -8.287 -17.484 1.00 0.00 H new ATOM 2022 N ILE A 132 7.817 -7.611 -13.665 1.00 0.00 N ATOM 2023 CA ILE A 132 7.774 -6.403 -12.850 1.00 0.00 C ATOM 2024 C ILE A 132 9.178 -5.886 -12.560 1.00 0.00 C ATOM 2025 O ILE A 132 9.357 -4.735 -12.159 1.00 0.00 O ATOM 2026 CB ILE A 132 7.044 -6.650 -11.516 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.678 -7.291 -11.769 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.889 -5.345 -10.748 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.135 -8.046 -10.575 1.00 0.00 C ATOM 0 H ILE A 132 7.972 -8.470 -13.138 1.00 0.00 H new ATOM 0 HA ILE A 132 7.225 -5.655 -13.422 1.00 0.00 H new ATOM 0 HB ILE A 132 7.640 -7.335 -10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.968 -6.514 -12.051 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.757 -7.973 -12.615 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.371 -5.535 -9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.873 -4.925 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.311 -4.639 -11.344 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.164 -8.474 -10.826 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.825 -8.845 -10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.024 -7.363 -9.733 1.00 0.00 H new ATOM 2041 N TYR A 133 10.173 -6.742 -12.766 1.00 0.00 N ATOM 2042 CA TYR A 133 11.563 -6.372 -12.527 1.00 0.00 C ATOM 2043 C TYR A 133 11.929 -5.105 -13.294 1.00 0.00 C ATOM 2044 O TYR A 133 12.379 -4.111 -12.724 1.00 0.00 O ATOM 2045 CB TYR A 133 12.494 -7.515 -12.932 1.00 0.00 C ATOM 2046 CG TYR A 133 13.864 -7.052 -13.375 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.606 -6.170 -12.599 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.416 -7.498 -14.570 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.857 -5.745 -13.001 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.667 -7.078 -14.979 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.383 -6.201 -14.191 1.00 0.00 C ATOM 2052 OH TYR A 133 17.630 -5.780 -14.595 1.00 0.00 O ATOM 0 H TYR A 133 10.043 -7.698 -13.098 1.00 0.00 H new ATOM 0 HA TYR A 133 11.682 -6.176 -11.461 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.605 -8.198 -12.090 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.031 -8.080 -13.741 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.198 -5.811 -11.666 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.858 -8.184 -15.189 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.420 -5.059 -12.386 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.082 -7.434 -15.910 1.00 0.00 H new ATOM 0 HH TYR A 133 17.853 -6.195 -15.454 1.00 0.00 H new ATOM 2062 N PRO A 134 11.732 -5.141 -14.620 1.00 0.00 N ATOM 2063 CA PRO A 134 12.034 -4.005 -15.496 1.00 0.00 C ATOM 2064 C PRO A 134 11.379 -2.714 -15.017 1.00 0.00 C ATOM 2065 O PRO A 134 12.030 -1.672 -14.931 1.00 0.00 O ATOM 2066 CB PRO A 134 11.450 -4.432 -16.845 1.00 0.00 C ATOM 2067 CG PRO A 134 11.469 -5.921 -16.812 1.00 0.00 C ATOM 2068 CD PRO A 134 11.199 -6.293 -15.367 1.00 0.00 C ATOM 0 HA PRO A 134 13.102 -3.787 -15.528 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.437 -4.052 -16.976 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.044 -4.047 -17.673 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.710 -6.339 -17.474 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.431 -6.310 -17.145 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.135 -6.437 -15.180 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.700 -7.220 -15.089 1.00 0.00 H new ATOM 2076 N CYS A 135 10.090 -2.789 -14.708 1.00 0.00 N ATOM 2077 CA CYS A 135 9.347 -1.626 -14.238 1.00 0.00 C ATOM 2078 C CYS A 135 8.996 -1.765 -12.760 1.00 0.00 C ATOM 2079 O CYS A 135 7.822 -1.765 -12.386 1.00 0.00 O ATOM 2080 CB CYS A 135 8.071 -1.442 -15.061 1.00 0.00 C ATOM 2081 SG CYS A 135 8.330 -1.520 -16.849 1.00 0.00 S ATOM 0 H CYS A 135 9.537 -3.644 -14.774 1.00 0.00 H new ATOM 0 HA CYS A 135 9.981 -0.748 -14.362 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.353 -2.210 -14.775 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.625 -0.479 -14.811 1.00 0.00 H new ATOM 0 HG CYS A 135 7.194 -1.356 -17.460 1.00 0.00 H new ATOM 2087 N LEU A 136 10.021 -1.886 -11.923 1.00 0.00 N ATOM 2088 CA LEU A 136 9.822 -2.028 -10.485 1.00 0.00 C ATOM 2089 C LEU A 136 9.632 -0.666 -9.824 1.00 0.00 C ATOM 2090 O LEU A 136 9.830 0.373 -10.453 1.00 0.00 O ATOM 2091 CB LEU A 136 11.013 -2.751 -9.854 1.00 0.00 C ATOM 2092 CG LEU A 136 10.742 -4.164 -9.336 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.975 -4.725 -8.645 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.551 -4.165 -8.389 1.00 0.00 C ATOM 0 H LEU A 136 10.998 -1.889 -12.216 1.00 0.00 H new ATOM 0 HA LEU A 136 8.920 -2.618 -10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.813 -2.803 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.382 -2.146 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 136 10.505 -4.803 -10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.763 -5.731 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.804 -4.761 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.243 -4.086 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.372 -5.179 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.759 -3.511 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.667 -3.806 -8.916 1.00 0.00 H new ATOM 2106 N SER A 137 9.248 -0.680 -8.552 1.00 0.00 N ATOM 2107 CA SER A 137 9.030 0.554 -7.806 1.00 0.00 C ATOM 2108 C SER A 137 10.169 0.802 -6.822 1.00 0.00 C ATOM 2109 O SER A 137 10.911 -0.106 -6.449 1.00 0.00 O ATOM 2110 CB SER A 137 7.698 0.493 -7.057 1.00 0.00 C ATOM 2111 OG SER A 137 7.840 0.953 -5.724 1.00 0.00 O ATOM 0 H SER A 137 9.081 -1.532 -8.016 1.00 0.00 H new ATOM 0 HA SER A 137 9.001 1.380 -8.517 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.957 1.100 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.326 -0.531 -7.054 1.00 0.00 H new ATOM 0 HG SER A 137 7.590 0.237 -5.103 1.00 0.00 H new ATOM 2117 N PRO A 138 10.311 2.064 -6.389 1.00 0.00 N ATOM 2118 CA PRO A 138 11.357 2.463 -5.442 1.00 0.00 C ATOM 2119 C PRO A 138 11.114 1.907 -4.043 1.00 0.00 C ATOM 2120 O PRO A 138 10.064 2.140 -3.444 1.00 0.00 O ATOM 2121 CB PRO A 138 11.263 3.991 -5.434 1.00 0.00 C ATOM 2122 CG PRO A 138 9.859 4.287 -5.832 1.00 0.00 C ATOM 2123 CD PRO A 138 9.462 3.198 -6.791 1.00 0.00 C ATOM 0 HA PRO A 138 12.337 2.084 -5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.488 4.396 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.974 4.435 -6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.202 4.300 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.785 5.267 -6.303 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.402 2.956 -6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.643 3.488 -7.826 1.00 0.00 H new ATOM 2131 N LYS A 139 12.092 1.171 -3.527 1.00 0.00 N ATOM 2132 CA LYS A 139 11.987 0.582 -2.197 1.00 0.00 C ATOM 2133 C LYS A 139 12.868 1.329 -1.200 1.00 0.00 C ATOM 2134 O LYS A 139 14.090 1.365 -1.343 1.00 0.00 O ATOM 2135 CB LYS A 139 12.384 -0.895 -2.237 1.00 0.00 C ATOM 2136 CG LYS A 139 11.340 -1.788 -2.885 1.00 0.00 C ATOM 2137 CD LYS A 139 11.936 -3.113 -3.329 1.00 0.00 C ATOM 2138 CE LYS A 139 10.870 -4.050 -3.874 1.00 0.00 C ATOM 2139 NZ LYS A 139 10.408 -3.637 -5.229 1.00 0.00 N ATOM 0 H LYS A 139 12.967 0.968 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 139 10.950 0.664 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.324 -0.995 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 139 12.565 -1.242 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.529 -1.971 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 139 10.906 -1.277 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.691 -2.935 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.441 -3.586 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 139 11.267 -5.064 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.021 -4.070 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 9.412 -3.342 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 10.989 -2.843 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 10.501 -4.438 -5.886 1.00 0.00 H new ATOM 2153 N SER A 140 12.239 1.922 -0.190 1.00 0.00 N ATOM 2154 CA SER A 140 12.966 2.670 0.829 1.00 0.00 C ATOM 2155 C SER A 140 13.088 1.858 2.115 1.00 0.00 C ATOM 2156 O SER A 140 12.608 2.270 3.170 1.00 0.00 O ATOM 2157 CB SER A 140 12.264 3.998 1.116 1.00 0.00 C ATOM 2158 OG SER A 140 12.667 4.997 0.195 1.00 0.00 O ATOM 0 H SER A 140 11.228 1.899 -0.056 1.00 0.00 H new ATOM 0 HA SER A 140 13.968 2.872 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.184 3.862 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.492 4.322 2.132 1.00 0.00 H new ATOM 0 HG SER A 140 12.622 5.876 0.626 1.00 0.00 H new