USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 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 102 GLN : amide:sc= -0.238 K(o=-0.24,f=-5.7!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 THR OG1 : rot -160:sc= 0.39 USER MOD Set 2.2: 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= -0.196 USER MOD Single : A 25 MET CE :methyl -144:sc= -0.799 (180deg=-3.51!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 162:sc= 1.16 USER MOD Single : A 48 TYR OH : rot 180:sc= 0.0421 USER MOD Single : A 49 GLN : amide:sc= 0.275 X(o=0.28,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0944 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 0.702 (180deg=-0.606) USER MOD Single : A 55 CYS SG : rot 26:sc=7.27e-05 USER MOD Single : A 58 MET CE :methyl -136:sc= -2.04 (180deg=-6.77!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.303 K(o=-0.3,f=-3.6!) USER MOD Single : A 63 HIS : no HD1:sc= -0.572 K(o=-0.57,f=-2.7!) USER MOD Single : A 64 CYS SG : rot 170:sc= -0.878 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.151 K(o=-0.15,f=-4.8!) USER MOD Single : A 69 ASN : amide:sc= -0.993 K(o=-0.99,f=-9.8!) USER MOD Single : A 73 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.3) USER MOD Single : A 75 THR OG1 : rot 12:sc= 0.965 USER MOD Single : A 77 MET CE :methyl -147:sc= 0 (180deg=-0.048) USER MOD Single : A 79 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 80:sc= -0.958 USER MOD Single : A 83 ASN : amide:sc= 0.0173 K(o=0.017,f=-0.75) USER MOD Single : A 88 ASN : amide:sc= -0.35 K(o=-0.35,f=-7!) USER MOD Single : A 98 TYR OH : rot 120:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0879 USER MOD Single : A 101 HIS : no HD1:sc= -0.934 K(o=-0.93,f=-1.5) USER MOD Single : A 105 TYR OH : rot 165:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.77 X(o=-0.77,f=-0.75) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.47 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 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 -152:sc=-0.00109 USER MOD Single : A 137 SER OG : rot -121:sc= 1.01 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot -97:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.663 -18.287 -10.752 1.00 0.00 N ATOM 157 CA GLY A 15 7.291 -18.176 -10.292 1.00 0.00 C ATOM 158 C GLY A 15 6.721 -16.787 -10.500 1.00 0.00 C ATOM 159 O GLY A 15 7.348 -15.939 -11.135 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.674 -18.902 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.244 -18.430 -9.233 1.00 0.00 H new ATOM 163 N ARG A 16 5.527 -16.553 -9.965 1.00 0.00 N ATOM 164 CA ARG A 16 4.871 -15.258 -10.097 1.00 0.00 C ATOM 165 C ARG A 16 4.919 -14.487 -8.782 1.00 0.00 C ATOM 166 O ARG A 16 5.051 -15.076 -7.709 1.00 0.00 O ATOM 167 CB ARG A 16 3.418 -15.442 -10.540 1.00 0.00 C ATOM 168 CG ARG A 16 3.231 -15.401 -12.048 1.00 0.00 C ATOM 169 CD ARG A 16 3.339 -16.789 -12.660 1.00 0.00 C ATOM 170 NE ARG A 16 3.752 -16.739 -14.060 1.00 0.00 N ATOM 171 CZ ARG A 16 4.286 -17.769 -14.706 1.00 0.00 C ATOM 172 NH1 ARG A 16 4.471 -18.924 -14.081 1.00 0.00 N ATOM 173 NH2 ARG A 16 4.637 -17.646 -15.980 1.00 0.00 N ATOM 0 H ARG A 16 4.994 -17.244 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 16 5.405 -14.684 -10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.050 -16.396 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.807 -14.662 -10.085 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.257 -14.973 -12.284 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.982 -14.747 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.056 -17.381 -12.091 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.376 -17.295 -12.584 1.00 0.00 H new ATOM 0 HE ARG A 16 3.623 -15.865 -14.570 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.203 -19.023 -13.102 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.881 -19.714 -14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.497 -16.759 -16.464 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.047 -18.438 -16.475 1.00 0.00 H new ATOM 187 N SER A 17 4.811 -13.165 -8.872 1.00 0.00 N ATOM 188 CA SER A 17 4.847 -12.312 -7.690 1.00 0.00 C ATOM 189 C SER A 17 3.842 -11.171 -7.813 1.00 0.00 C ATOM 190 O SER A 17 4.025 -10.252 -8.611 1.00 0.00 O ATOM 191 CB SER A 17 6.254 -11.748 -7.485 1.00 0.00 C ATOM 192 OG SER A 17 7.003 -12.556 -6.593 1.00 0.00 O ATOM 0 H SER A 17 4.698 -12.661 -9.752 1.00 0.00 H new ATOM 0 HA SER A 17 4.577 -12.919 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.768 -11.687 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.189 -10.733 -7.093 1.00 0.00 H new ATOM 0 HG SER A 17 7.899 -12.175 -6.480 1.00 0.00 H new ATOM 198 N TRP A 18 2.781 -11.238 -7.017 1.00 0.00 N ATOM 199 CA TRP A 18 1.746 -10.210 -7.036 1.00 0.00 C ATOM 200 C TRP A 18 2.354 -8.822 -6.870 1.00 0.00 C ATOM 201 O TRP A 18 3.526 -8.686 -6.518 1.00 0.00 O ATOM 202 CB TRP A 18 0.723 -10.468 -5.928 1.00 0.00 C ATOM 203 CG TRP A 18 -0.137 -11.669 -6.182 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.215 -12.978 -6.018 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.492 -11.670 -6.645 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.839 -13.794 -6.353 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.898 -13.016 -6.740 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.402 -10.666 -6.988 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.174 -13.380 -7.163 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.667 -11.029 -7.409 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.044 -12.376 -7.493 1.00 0.00 C ATOM 0 H TRP A 18 2.615 -11.992 -6.351 1.00 0.00 H new ATOM 0 HA TRP A 18 1.244 -10.253 -8.002 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.248 -10.599 -4.982 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.086 -9.590 -5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.180 -13.322 -5.675 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.834 -14.813 -6.319 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.121 -9.625 -6.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.467 -14.418 -7.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.377 -10.261 -7.678 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.041 -12.627 -7.825 1.00 0.00 H new ATOM 222 N CYS A 19 1.551 -7.795 -7.126 1.00 0.00 N ATOM 223 CA CYS A 19 2.011 -6.416 -7.005 1.00 0.00 C ATOM 224 C CYS A 19 0.854 -5.439 -7.183 1.00 0.00 C ATOM 225 O CYS A 19 -0.310 -5.840 -7.231 1.00 0.00 O ATOM 226 CB CYS A 19 3.101 -6.128 -8.039 1.00 0.00 C ATOM 227 SG CYS A 19 2.498 -6.033 -9.740 1.00 0.00 S ATOM 0 H CYS A 19 0.579 -7.891 -7.419 1.00 0.00 H new ATOM 0 HA CYS A 19 2.424 -6.283 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.589 -5.187 -7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.861 -6.907 -7.977 1.00 0.00 H new ATOM 0 HG CYS A 19 3.442 -5.579 -10.510 1.00 0.00 H new ATOM 233 N LEU A 20 1.180 -4.155 -7.280 1.00 0.00 N ATOM 234 CA LEU A 20 0.167 -3.119 -7.451 1.00 0.00 C ATOM 235 C LEU A 20 0.486 -2.240 -8.656 1.00 0.00 C ATOM 236 O LEU A 20 1.080 -1.170 -8.516 1.00 0.00 O ATOM 237 CB LEU A 20 0.070 -2.260 -6.190 1.00 0.00 C ATOM 238 CG LEU A 20 -0.072 -3.019 -4.870 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.289 -2.121 -3.696 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.486 -3.560 -4.715 1.00 0.00 C ATOM 0 H LEU A 20 2.138 -3.806 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.792 -3.608 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.960 -1.634 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.784 -1.591 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 20 0.619 -3.862 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.182 -2.678 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.320 -1.783 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.376 -1.258 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.569 -4.097 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.195 -2.732 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.708 -4.238 -5.539 1.00 0.00 H new ATOM 252 N ARG A 21 0.086 -2.696 -9.838 1.00 0.00 N ATOM 253 CA ARG A 21 0.329 -1.951 -11.067 1.00 0.00 C ATOM 254 C ARG A 21 -0.226 -0.533 -10.962 1.00 0.00 C ATOM 255 O ARG A 21 -1.429 -0.339 -10.786 1.00 0.00 O ATOM 256 CB ARG A 21 -0.305 -2.671 -12.259 1.00 0.00 C ATOM 257 CG ARG A 21 0.710 -3.278 -13.214 1.00 0.00 C ATOM 258 CD ARG A 21 0.069 -3.660 -14.539 1.00 0.00 C ATOM 259 NE ARG A 21 0.019 -2.535 -15.468 1.00 0.00 N ATOM 260 CZ ARG A 21 -0.147 -2.670 -16.779 1.00 0.00 C ATOM 261 NH1 ARG A 21 -0.279 -3.877 -17.312 1.00 0.00 N ATOM 262 NH2 ARG A 21 -0.181 -1.597 -17.559 1.00 0.00 N ATOM 0 H ARG A 21 -0.408 -3.578 -9.971 1.00 0.00 H new ATOM 0 HA ARG A 21 1.407 -1.891 -11.219 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.961 -3.460 -11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.931 -1.967 -12.807 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.516 -2.566 -13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.158 -4.161 -12.758 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.630 -4.478 -14.991 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.942 -4.027 -14.360 1.00 0.00 H new ATOM 0 HE ARG A 21 0.117 -1.593 -15.089 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.253 -4.704 -16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.406 -3.979 -18.319 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.080 -0.667 -17.152 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.309 -1.702 -18.566 1.00 0.00 H new ATOM 276 N ARG A 22 0.658 0.453 -11.069 1.00 0.00 N ATOM 277 CA ARG A 22 0.257 1.852 -10.984 1.00 0.00 C ATOM 278 C ARG A 22 -0.685 2.218 -12.127 1.00 0.00 C ATOM 279 O ARG A 22 -0.272 2.303 -13.284 1.00 0.00 O ATOM 280 CB ARG A 22 1.488 2.760 -11.013 1.00 0.00 C ATOM 281 CG ARG A 22 1.156 4.239 -10.908 1.00 0.00 C ATOM 282 CD ARG A 22 0.981 4.669 -9.459 1.00 0.00 C ATOM 283 NE ARG A 22 1.452 6.032 -9.232 1.00 0.00 N ATOM 284 CZ ARG A 22 0.851 7.109 -9.725 1.00 0.00 C ATOM 285 NH1 ARG A 22 -0.239 6.982 -10.469 1.00 0.00 N ATOM 286 NH2 ARG A 22 1.341 8.317 -9.474 1.00 0.00 N ATOM 0 H ARG A 22 1.657 0.309 -11.215 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.270 1.996 -10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.151 2.486 -10.192 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.037 2.584 -11.938 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.951 4.825 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.242 4.448 -11.464 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.072 4.599 -9.185 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.526 3.984 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 22 2.289 6.165 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.618 6.055 -10.664 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.698 7.811 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.180 8.419 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.879 9.144 -9.853 1.00 0.00 H new ATOM 300 N VAL A 23 -1.954 2.432 -11.795 1.00 0.00 N ATOM 301 CA VAL A 23 -2.956 2.789 -12.793 1.00 0.00 C ATOM 302 C VAL A 23 -2.620 4.120 -13.456 1.00 0.00 C ATOM 303 O VAL A 23 -2.461 5.138 -12.785 1.00 0.00 O ATOM 304 CB VAL A 23 -4.362 2.879 -12.170 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.391 3.250 -13.226 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.729 1.567 -11.493 1.00 0.00 C ATOM 0 H VAL A 23 -2.313 2.364 -10.843 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.950 2.000 -13.545 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.356 3.663 -11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.378 3.309 -12.767 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.134 4.216 -13.660 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.399 2.491 -14.008 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.725 1.648 -11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.718 0.763 -12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.007 1.349 -10.706 1.00 0.00 H new ATOM 316 N GLY A 24 -2.514 4.104 -14.782 1.00 0.00 N ATOM 317 CA GLY A 24 -2.198 5.316 -15.515 1.00 0.00 C ATOM 318 C GLY A 24 -0.720 5.434 -15.831 1.00 0.00 C ATOM 319 O GLY A 24 -0.316 6.271 -16.636 1.00 0.00 O ATOM 0 H GLY A 24 -2.641 3.274 -15.361 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.768 5.334 -16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.512 6.182 -14.932 1.00 0.00 H new ATOM 323 N MET A 25 0.088 4.594 -15.192 1.00 0.00 N ATOM 324 CA MET A 25 1.530 4.609 -15.409 1.00 0.00 C ATOM 325 C MET A 25 2.071 3.192 -15.571 1.00 0.00 C ATOM 326 O MET A 25 1.372 2.216 -15.296 1.00 0.00 O ATOM 327 CB MET A 25 2.236 5.306 -14.244 1.00 0.00 C ATOM 328 CG MET A 25 2.976 6.570 -14.651 1.00 0.00 C ATOM 329 SD MET A 25 4.413 6.898 -13.611 1.00 0.00 S ATOM 330 CE MET A 25 3.701 6.704 -11.979 1.00 0.00 C ATOM 0 H MET A 25 -0.231 3.895 -14.521 1.00 0.00 H new ATOM 0 HA MET A 25 1.727 5.162 -16.328 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.499 5.556 -13.480 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.943 4.611 -13.790 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.296 6.481 -15.689 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.294 7.418 -14.600 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.154 7.423 -11.297 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.626 6.877 -12.028 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.889 5.693 -11.618 1.00 0.00 H new ATOM 340 N SER A 26 3.318 3.086 -16.019 1.00 0.00 N ATOM 341 CA SER A 26 3.949 1.787 -16.221 1.00 0.00 C ATOM 342 C SER A 26 5.159 1.624 -15.306 1.00 0.00 C ATOM 343 O SER A 26 6.060 0.832 -15.585 1.00 0.00 O ATOM 344 CB SER A 26 4.374 1.625 -17.682 1.00 0.00 C ATOM 345 OG SER A 26 4.145 0.302 -18.135 1.00 0.00 O ATOM 0 H SER A 26 3.911 3.884 -16.249 1.00 0.00 H new ATOM 0 HA SER A 26 3.221 1.014 -15.974 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.820 2.327 -18.305 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.431 1.871 -17.786 1.00 0.00 H new ATOM 0 HG SER A 26 4.423 0.224 -19.071 1.00 0.00 H new ATOM 351 N ALA A 27 5.173 2.378 -14.212 1.00 0.00 N ATOM 352 CA ALA A 27 6.270 2.316 -13.255 1.00 0.00 C ATOM 353 C ALA A 27 5.752 2.369 -11.821 1.00 0.00 C ATOM 354 O ALA A 27 4.544 2.393 -11.588 1.00 0.00 O ATOM 355 CB ALA A 27 7.253 3.451 -13.504 1.00 0.00 C ATOM 0 H ALA A 27 4.436 3.039 -13.967 1.00 0.00 H new ATOM 0 HA ALA A 27 6.786 1.366 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.067 3.392 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.656 3.368 -14.513 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.740 4.407 -13.396 1.00 0.00 H new ATOM 361 N GLY A 28 6.674 2.387 -10.864 1.00 0.00 N ATOM 362 CA GLY A 28 6.289 2.436 -9.465 1.00 0.00 C ATOM 363 C GLY A 28 5.466 1.233 -9.048 1.00 0.00 C ATOM 364 O GLY A 28 4.529 1.358 -8.259 1.00 0.00 O ATOM 0 H GLY A 28 7.680 2.369 -11.032 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.185 2.492 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.717 3.345 -9.280 1.00 0.00 H new ATOM 368 N TRP A 29 5.815 0.067 -9.578 1.00 0.00 N ATOM 369 CA TRP A 29 5.100 -1.163 -9.256 1.00 0.00 C ATOM 370 C TRP A 29 5.564 -1.728 -7.918 1.00 0.00 C ATOM 371 O TRP A 29 6.712 -2.152 -7.776 1.00 0.00 O ATOM 372 CB TRP A 29 5.307 -2.201 -10.361 1.00 0.00 C ATOM 373 CG TRP A 29 4.683 -1.811 -11.667 1.00 0.00 C ATOM 374 CD1 TRP A 29 4.056 -0.632 -11.956 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.624 -2.602 -12.859 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.611 -0.643 -13.256 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.947 -1.839 -13.831 1.00 0.00 C ATOM 378 CE3 TRP A 29 5.078 -3.878 -13.200 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.715 -2.314 -15.119 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.846 -4.348 -14.478 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.171 -3.568 -15.426 1.00 0.00 C ATOM 0 H TRP A 29 6.588 -0.053 -10.232 1.00 0.00 H new ATOM 0 HA TRP A 29 4.038 -0.928 -9.181 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.376 -2.355 -10.509 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.889 -3.154 -10.037 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.929 0.188 -11.265 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.111 0.117 -13.718 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.601 -4.486 -12.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.194 -1.714 -15.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.191 -5.334 -14.751 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.007 -3.963 -16.418 1.00 0.00 H new ATOM 392 N LEU A 30 4.665 -1.733 -6.940 1.00 0.00 N ATOM 393 CA LEU A 30 4.982 -2.247 -5.612 1.00 0.00 C ATOM 394 C LEU A 30 4.914 -3.770 -5.588 1.00 0.00 C ATOM 395 O LEU A 30 3.833 -4.356 -5.661 1.00 0.00 O ATOM 396 CB LEU A 30 4.019 -1.665 -4.575 1.00 0.00 C ATOM 397 CG LEU A 30 3.689 -0.180 -4.724 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.611 0.230 -3.733 1.00 0.00 C ATOM 399 CD2 LEU A 30 4.940 0.666 -4.534 1.00 0.00 C ATOM 0 H LEU A 30 3.711 -1.387 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 30 5.999 -1.943 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.087 -2.229 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.444 -1.824 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 30 3.310 -0.012 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.390 1.290 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.708 -0.352 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.962 0.046 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.686 1.720 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.349 0.493 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.682 0.392 -5.284 1.00 0.00 H new ATOM 411 N LEU A 31 6.075 -4.407 -5.481 1.00 0.00 N ATOM 412 CA LEU A 31 6.149 -5.864 -5.444 1.00 0.00 C ATOM 413 C LEU A 31 5.502 -6.409 -4.175 1.00 0.00 C ATOM 414 O LEU A 31 5.709 -5.880 -3.083 1.00 0.00 O ATOM 415 CB LEU A 31 7.605 -6.323 -5.526 1.00 0.00 C ATOM 416 CG LEU A 31 7.845 -7.826 -5.377 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.578 -8.542 -6.693 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.264 -8.096 -4.900 1.00 0.00 C ATOM 0 H LEU A 31 6.978 -3.938 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 31 5.604 -6.253 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.012 -6.004 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.172 -5.806 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 31 7.153 -8.212 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.754 -9.610 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.543 -8.377 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.245 -8.152 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.416 -9.171 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.974 -7.695 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.421 -7.616 -3.934 1.00 0.00 H new ATOM 430 N LEU A 32 4.719 -7.472 -4.326 1.00 0.00 N ATOM 431 CA LEU A 32 4.043 -8.092 -3.192 1.00 0.00 C ATOM 432 C LEU A 32 4.532 -9.522 -2.981 1.00 0.00 C ATOM 433 O LEU A 32 3.788 -10.479 -3.190 1.00 0.00 O ATOM 434 CB LEU A 32 2.529 -8.086 -3.410 1.00 0.00 C ATOM 435 CG LEU A 32 1.849 -6.717 -3.357 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.436 -6.802 -3.913 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.833 -6.184 -1.932 1.00 0.00 C ATOM 0 H LEU A 32 4.537 -7.922 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 32 4.278 -7.512 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.320 -8.536 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.071 -8.726 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 32 2.420 -6.024 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.033 -5.819 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.472 -7.139 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.146 -7.509 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.345 -5.209 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.286 -6.875 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.856 -6.085 -1.569 1.00 0.00 H new ATOM 449 N GLU A 33 5.788 -9.657 -2.565 1.00 0.00 N ATOM 450 CA GLU A 33 6.375 -10.970 -2.325 1.00 0.00 C ATOM 451 C GLU A 33 5.517 -11.781 -1.357 1.00 0.00 C ATOM 452 O GLU A 33 5.099 -11.280 -0.313 1.00 0.00 O ATOM 453 CB GLU A 33 7.793 -10.825 -1.769 1.00 0.00 C ATOM 454 CG GLU A 33 8.873 -11.312 -2.720 1.00 0.00 C ATOM 455 CD GLU A 33 10.264 -11.208 -2.126 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.375 -10.870 -0.929 1.00 0.00 O ATOM 457 OE2 GLU A 33 11.242 -11.465 -2.859 1.00 0.00 O ATOM 0 H GLU A 33 6.417 -8.874 -2.388 1.00 0.00 H new ATOM 0 HA GLU A 33 6.418 -11.500 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.976 -9.777 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.866 -11.381 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.674 -12.349 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.831 -10.730 -3.641 1.00 0.00 H new ATOM 464 N ASP A 34 5.259 -13.034 -1.713 1.00 0.00 N ATOM 465 CA ASP A 34 4.452 -13.916 -0.877 1.00 0.00 C ATOM 466 C ASP A 34 5.084 -14.086 0.501 1.00 0.00 C ATOM 467 O ASP A 34 6.188 -14.613 0.628 1.00 0.00 O ATOM 468 CB ASP A 34 4.287 -15.280 -1.548 1.00 0.00 C ATOM 469 CG ASP A 34 3.795 -16.343 -0.585 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.612 -16.839 0.219 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.594 -16.678 -0.636 1.00 0.00 O ATOM 0 H ASP A 34 5.597 -13.462 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 34 3.470 -13.460 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.585 -15.191 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.242 -15.591 -1.971 1.00 0.00 H new ATOM 476 N GLY A 35 4.375 -13.634 1.532 1.00 0.00 N ATOM 477 CA GLY A 35 4.883 -13.745 2.887 1.00 0.00 C ATOM 478 C GLY A 35 5.756 -12.569 3.276 1.00 0.00 C ATOM 479 O GLY A 35 6.531 -12.651 4.230 1.00 0.00 O ATOM 0 H GLY A 35 3.459 -13.193 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.046 -13.817 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.457 -14.667 2.982 1.00 0.00 H new ATOM 483 N CYS A 36 5.632 -11.472 2.538 1.00 0.00 N ATOM 484 CA CYS A 36 6.418 -10.273 2.810 1.00 0.00 C ATOM 485 C CYS A 36 5.512 -9.066 3.025 1.00 0.00 C ATOM 486 O CYS A 36 4.721 -8.709 2.153 1.00 0.00 O ATOM 487 CB CYS A 36 7.386 -10.001 1.658 1.00 0.00 C ATOM 488 SG CYS A 36 9.001 -10.790 1.848 1.00 0.00 S ATOM 0 H CYS A 36 4.995 -11.387 1.746 1.00 0.00 H new ATOM 0 HA CYS A 36 6.989 -10.442 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.933 -10.345 0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.528 -8.924 1.564 1.00 0.00 H new ATOM 0 HG CYS A 36 9.599 -10.838 0.695 1.00 0.00 H new ATOM 494 N GLU A 37 5.632 -8.443 4.193 1.00 0.00 N ATOM 495 CA GLU A 37 4.821 -7.276 4.523 1.00 0.00 C ATOM 496 C GLU A 37 5.236 -6.070 3.686 1.00 0.00 C ATOM 497 O GLU A 37 6.423 -5.776 3.547 1.00 0.00 O ATOM 498 CB GLU A 37 4.947 -6.945 6.012 1.00 0.00 C ATOM 499 CG GLU A 37 3.665 -6.411 6.627 1.00 0.00 C ATOM 500 CD GLU A 37 3.920 -5.530 7.835 1.00 0.00 C ATOM 501 OE1 GLU A 37 4.967 -4.851 7.864 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.070 -5.520 8.751 1.00 0.00 O ATOM 0 H GLU A 37 6.282 -8.726 4.926 1.00 0.00 H new ATOM 0 HA GLU A 37 3.781 -7.512 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.252 -7.842 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.739 -6.208 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.116 -5.842 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.031 -7.248 6.920 1.00 0.00 H new ATOM 509 N VAL A 38 4.249 -5.377 3.128 1.00 0.00 N ATOM 510 CA VAL A 38 4.510 -4.202 2.304 1.00 0.00 C ATOM 511 C VAL A 38 3.849 -2.961 2.892 1.00 0.00 C ATOM 512 O VAL A 38 2.632 -2.792 2.807 1.00 0.00 O ATOM 513 CB VAL A 38 4.007 -4.405 0.863 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.259 -3.158 0.029 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.670 -5.621 0.234 1.00 0.00 C ATOM 0 H VAL A 38 3.261 -5.609 3.231 1.00 0.00 H new ATOM 0 HA VAL A 38 5.591 -4.060 2.287 1.00 0.00 H new ATOM 0 HB VAL A 38 2.932 -4.581 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.897 -3.320 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.733 -2.312 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.328 -2.947 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.303 -5.750 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.750 -5.477 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.433 -6.509 0.820 1.00 0.00 H new ATOM 525 N THR A 39 4.659 -2.092 3.489 1.00 0.00 N ATOM 526 CA THR A 39 4.153 -0.865 4.092 1.00 0.00 C ATOM 527 C THR A 39 4.466 0.346 3.220 1.00 0.00 C ATOM 528 O THR A 39 5.627 0.618 2.912 1.00 0.00 O ATOM 529 CB THR A 39 4.748 -0.641 5.495 1.00 0.00 C ATOM 530 OG1 THR A 39 6.121 -0.251 5.387 1.00 0.00 O ATOM 531 CG2 THR A 39 4.639 -1.904 6.336 1.00 0.00 C ATOM 0 H THR A 39 5.668 -2.215 3.568 1.00 0.00 H new ATOM 0 HA THR A 39 3.072 -0.978 4.178 1.00 0.00 H new ATOM 0 HB THR A 39 4.183 0.152 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.576 -0.415 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.065 -1.722 7.322 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.590 -2.183 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.183 -2.713 5.849 1.00 0.00 H new ATOM 539 N VAL A 40 3.424 1.071 2.826 1.00 0.00 N ATOM 540 CA VAL A 40 3.589 2.255 1.991 1.00 0.00 C ATOM 541 C VAL A 40 3.292 3.527 2.777 1.00 0.00 C ATOM 542 O VAL A 40 2.485 3.522 3.705 1.00 0.00 O ATOM 543 CB VAL A 40 2.672 2.202 0.755 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.997 3.340 -0.201 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.797 0.856 0.056 1.00 0.00 C ATOM 0 H VAL A 40 2.457 0.859 3.071 1.00 0.00 H new ATOM 0 HA VAL A 40 4.628 2.269 1.662 1.00 0.00 H new ATOM 0 HB VAL A 40 1.640 2.320 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.339 3.286 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.852 4.294 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.034 3.257 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.142 0.836 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.829 0.706 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.510 0.061 0.744 1.00 0.00 H new ATOM 555 N GLY A 41 3.950 4.619 2.396 1.00 0.00 N ATOM 556 CA GLY A 41 3.742 5.884 3.075 1.00 0.00 C ATOM 557 C GLY A 41 4.727 6.948 2.633 1.00 0.00 C ATOM 558 O GLY A 41 5.257 6.890 1.523 1.00 0.00 O ATOM 0 H GLY A 41 4.623 4.649 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.727 6.232 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.832 5.734 4.151 1.00 0.00 H new ATOM 562 N ARG A 42 4.973 7.923 3.502 1.00 0.00 N ATOM 563 CA ARG A 42 5.899 9.006 3.194 1.00 0.00 C ATOM 564 C ARG A 42 7.006 9.089 4.241 1.00 0.00 C ATOM 565 O ARG A 42 8.154 9.397 3.923 1.00 0.00 O ATOM 566 CB ARG A 42 5.152 10.339 3.120 1.00 0.00 C ATOM 567 CG ARG A 42 4.185 10.560 4.271 1.00 0.00 C ATOM 568 CD ARG A 42 4.049 12.037 4.608 1.00 0.00 C ATOM 569 NE ARG A 42 5.115 12.496 5.494 1.00 0.00 N ATOM 570 CZ ARG A 42 5.150 12.240 6.797 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.183 11.531 7.363 1.00 0.00 N ATOM 572 NH2 ARG A 42 6.154 12.693 7.537 1.00 0.00 N ATOM 0 H ARG A 42 4.544 7.985 4.425 1.00 0.00 H new ATOM 0 HA ARG A 42 6.353 8.797 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.878 11.152 3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.602 10.386 2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.208 10.154 4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.532 10.016 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.065 12.622 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.083 12.214 5.081 1.00 0.00 H new ATOM 0 HE ARG A 42 5.875 13.044 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.410 11.181 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.212 11.336 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.900 13.238 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.180 12.496 8.537 1.00 0.00 H new ATOM 586 N GLY A 43 6.652 8.813 5.493 1.00 0.00 N ATOM 587 CA GLY A 43 7.626 8.863 6.567 1.00 0.00 C ATOM 588 C GLY A 43 8.692 7.794 6.434 1.00 0.00 C ATOM 589 O GLY A 43 8.438 6.718 5.892 1.00 0.00 O ATOM 0 H GLY A 43 5.708 8.556 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.100 9.845 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.115 8.745 7.522 1.00 0.00 H new ATOM 593 N PHE A 44 9.890 8.091 6.926 1.00 0.00 N ATOM 594 CA PHE A 44 11.000 7.147 6.857 1.00 0.00 C ATOM 595 C PHE A 44 10.733 5.927 7.733 1.00 0.00 C ATOM 596 O PHE A 44 10.329 6.055 8.888 1.00 0.00 O ATOM 597 CB PHE A 44 12.302 7.826 7.291 1.00 0.00 C ATOM 598 CG PHE A 44 12.950 8.632 6.202 1.00 0.00 C ATOM 599 CD1 PHE A 44 13.702 8.012 5.217 1.00 0.00 C ATOM 600 CD2 PHE A 44 12.806 10.009 6.163 1.00 0.00 C ATOM 601 CE1 PHE A 44 14.300 8.751 4.213 1.00 0.00 C ATOM 602 CE2 PHE A 44 13.401 10.753 5.161 1.00 0.00 C ATOM 603 CZ PHE A 44 14.150 10.123 4.186 1.00 0.00 C ATOM 0 H PHE A 44 10.117 8.977 7.377 1.00 0.00 H new ATOM 0 HA PHE A 44 11.098 6.815 5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.097 8.477 8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.002 7.065 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.822 6.939 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.223 10.507 6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.884 8.256 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.280 11.826 5.141 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.617 10.703 3.404 1.00 0.00 H new ATOM 613 N GLY A 45 10.961 4.743 7.173 1.00 0.00 N ATOM 614 CA GLY A 45 10.740 3.516 7.916 1.00 0.00 C ATOM 615 C GLY A 45 9.871 2.529 7.161 1.00 0.00 C ATOM 616 O GLY A 45 9.885 1.332 7.448 1.00 0.00 O ATOM 0 H GLY A 45 11.295 4.612 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.701 3.052 8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.270 3.753 8.871 1.00 0.00 H new ATOM 620 N VAL A 46 9.112 3.032 6.192 1.00 0.00 N ATOM 621 CA VAL A 46 8.233 2.187 5.393 1.00 0.00 C ATOM 622 C VAL A 46 8.995 1.529 4.249 1.00 0.00 C ATOM 623 O VAL A 46 10.056 2.001 3.841 1.00 0.00 O ATOM 624 CB VAL A 46 7.054 2.992 4.815 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.157 3.503 5.932 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.563 4.143 3.961 1.00 0.00 C ATOM 0 H VAL A 46 9.089 4.021 5.942 1.00 0.00 H new ATOM 0 HA VAL A 46 7.845 1.415 6.058 1.00 0.00 H new ATOM 0 HB VAL A 46 6.463 2.332 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.330 4.069 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.764 2.659 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.733 4.148 6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.717 4.701 3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.178 4.805 4.571 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.160 3.749 3.138 1.00 0.00 H new ATOM 636 N THR A 47 8.446 0.433 3.732 1.00 0.00 N ATOM 637 CA THR A 47 9.073 -0.291 2.634 1.00 0.00 C ATOM 638 C THR A 47 8.978 0.495 1.332 1.00 0.00 C ATOM 639 O THR A 47 9.844 0.382 0.463 1.00 0.00 O ATOM 640 CB THR A 47 8.428 -1.675 2.434 1.00 0.00 C ATOM 641 OG1 THR A 47 8.340 -2.361 3.687 1.00 0.00 O ATOM 642 CG2 THR A 47 9.233 -2.510 1.449 1.00 0.00 C ATOM 0 H THR A 47 7.568 0.028 4.057 1.00 0.00 H new ATOM 0 HA THR A 47 10.122 -0.422 2.900 1.00 0.00 H new ATOM 0 HB THR A 47 7.426 -1.529 2.029 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.927 -3.239 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.758 -3.483 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.273 -1.999 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.245 -2.646 1.830 1.00 0.00 H new ATOM 650 N TYR A 48 7.923 1.291 1.202 1.00 0.00 N ATOM 651 CA TYR A 48 7.715 2.095 0.003 1.00 0.00 C ATOM 652 C TYR A 48 7.385 3.539 0.367 1.00 0.00 C ATOM 653 O TYR A 48 6.399 3.808 1.052 1.00 0.00 O ATOM 654 CB TYR A 48 6.589 1.501 -0.845 1.00 0.00 C ATOM 655 CG TYR A 48 6.973 0.220 -1.550 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.114 0.153 -2.340 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.195 -0.925 -1.426 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.468 -1.015 -2.987 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.543 -2.098 -2.067 1.00 0.00 C ATOM 660 CZ TYR A 48 7.680 -2.138 -2.847 1.00 0.00 C ATOM 661 OH TYR A 48 8.030 -3.304 -3.488 1.00 0.00 O ATOM 0 H TYR A 48 7.198 1.397 1.912 1.00 0.00 H new ATOM 0 HA TYR A 48 8.639 2.087 -0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.727 1.310 -0.206 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.279 2.236 -1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.735 1.030 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.303 -0.897 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.357 -1.049 -3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.928 -2.979 -1.958 1.00 0.00 H new ATOM 0 HH TYR A 48 7.371 -4.000 -3.285 1.00 0.00 H new ATOM 671 N GLN A 49 8.218 4.464 -0.098 1.00 0.00 N ATOM 672 CA GLN A 49 8.016 5.882 0.177 1.00 0.00 C ATOM 673 C GLN A 49 7.481 6.605 -1.054 1.00 0.00 C ATOM 674 O GLN A 49 7.923 6.353 -2.176 1.00 0.00 O ATOM 675 CB GLN A 49 9.327 6.526 0.632 1.00 0.00 C ATOM 676 CG GLN A 49 9.215 8.022 0.881 1.00 0.00 C ATOM 677 CD GLN A 49 10.537 8.648 1.278 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.383 8.932 0.430 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.722 8.867 2.575 1.00 0.00 N ATOM 0 H GLN A 49 9.039 4.257 -0.667 1.00 0.00 H new ATOM 0 HA GLN A 49 7.279 5.970 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.664 6.038 1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.091 6.348 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.843 8.510 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.482 8.202 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.994 8.616 3.244 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.592 9.286 2.902 1.00 0.00 H new ATOM 688 N LEU A 50 6.526 7.503 -0.838 1.00 0.00 N ATOM 689 CA LEU A 50 5.929 8.263 -1.931 1.00 0.00 C ATOM 690 C LEU A 50 5.964 9.759 -1.636 1.00 0.00 C ATOM 691 O LEU A 50 5.300 10.237 -0.716 1.00 0.00 O ATOM 692 CB LEU A 50 4.487 7.811 -2.164 1.00 0.00 C ATOM 693 CG LEU A 50 4.293 6.331 -2.498 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.884 5.884 -2.142 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.580 6.074 -3.970 1.00 0.00 C ATOM 0 H LEU A 50 6.148 7.723 0.084 1.00 0.00 H new ATOM 0 HA LEU A 50 6.512 8.075 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.907 8.040 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.068 8.404 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 50 4.998 5.749 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.764 4.829 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.714 6.031 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.162 6.472 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.437 5.016 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.900 6.667 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.609 6.355 -4.195 1.00 0.00 H new ATOM 707 N VAL A 51 6.741 10.495 -2.424 1.00 0.00 N ATOM 708 CA VAL A 51 6.860 11.938 -2.250 1.00 0.00 C ATOM 709 C VAL A 51 6.510 12.677 -3.537 1.00 0.00 C ATOM 710 O VAL A 51 6.969 12.312 -4.619 1.00 0.00 O ATOM 711 CB VAL A 51 8.282 12.335 -1.812 1.00 0.00 C ATOM 712 CG1 VAL A 51 8.376 13.839 -1.604 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.678 11.588 -0.548 1.00 0.00 C ATOM 0 H VAL A 51 7.298 10.116 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 51 6.155 12.222 -1.469 1.00 0.00 H new ATOM 0 HB VAL A 51 8.978 12.057 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.388 14.101 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.137 14.351 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.670 14.144 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.686 11.881 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.980 11.832 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.653 10.515 -0.737 1.00 0.00 H new ATOM 723 N SER A 52 5.695 13.720 -3.411 1.00 0.00 N ATOM 724 CA SER A 52 5.282 14.510 -4.565 1.00 0.00 C ATOM 725 C SER A 52 5.535 15.995 -4.325 1.00 0.00 C ATOM 726 O SER A 52 5.945 16.400 -3.237 1.00 0.00 O ATOM 727 CB SER A 52 3.800 14.276 -4.865 1.00 0.00 C ATOM 728 OG SER A 52 3.440 14.828 -6.119 1.00 0.00 O ATOM 0 H SER A 52 5.308 14.037 -2.522 1.00 0.00 H new ATOM 0 HA SER A 52 5.874 14.192 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.589 13.207 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.192 14.724 -4.079 1.00 0.00 H new ATOM 0 HG SER A 52 2.489 14.664 -6.288 1.00 0.00 H new ATOM 734 N LYS A 53 5.288 16.804 -5.350 1.00 0.00 N ATOM 735 CA LYS A 53 5.487 18.245 -5.254 1.00 0.00 C ATOM 736 C LYS A 53 4.150 18.977 -5.198 1.00 0.00 C ATOM 737 O LYS A 53 4.067 20.100 -4.700 1.00 0.00 O ATOM 738 CB LYS A 53 6.307 18.748 -6.445 1.00 0.00 C ATOM 739 CG LYS A 53 7.751 18.278 -6.431 1.00 0.00 C ATOM 740 CD LYS A 53 8.473 18.732 -5.174 1.00 0.00 C ATOM 741 CE LYS A 53 8.603 17.600 -4.166 1.00 0.00 C ATOM 742 NZ LYS A 53 8.203 18.028 -2.797 1.00 0.00 N ATOM 0 H LYS A 53 4.949 16.485 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 53 6.032 18.450 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.834 18.414 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.288 19.838 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.781 17.190 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.269 18.664 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.464 19.103 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.931 19.563 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.982 16.761 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.634 17.245 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.910 17.698 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.143 19.066 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.276 17.619 -2.563 1.00 0.00 H new ATOM 756 N ILE A 54 3.107 18.333 -5.711 1.00 0.00 N ATOM 757 CA ILE A 54 1.774 18.922 -5.716 1.00 0.00 C ATOM 758 C ILE A 54 1.135 18.849 -4.334 1.00 0.00 C ATOM 759 O ILE A 54 0.853 19.876 -3.714 1.00 0.00 O ATOM 760 CB ILE A 54 0.853 18.222 -6.733 1.00 0.00 C ATOM 761 CG1 ILE A 54 1.455 18.300 -8.137 1.00 0.00 C ATOM 762 CG2 ILE A 54 -0.534 18.847 -6.709 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.571 19.712 -8.668 1.00 0.00 C ATOM 0 H ILE A 54 3.160 17.404 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 54 1.892 19.967 -6.004 1.00 0.00 H new ATOM 0 HB ILE A 54 0.761 17.172 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.444 17.843 -8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.841 17.713 -8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.173 18.342 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.962 18.744 -5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.461 19.904 -6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.006 19.690 -9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.581 20.166 -8.713 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.210 20.298 -8.007 1.00 0.00 H new ATOM 775 N CYS A 55 0.911 17.631 -3.855 1.00 0.00 N ATOM 776 CA CYS A 55 0.306 17.423 -2.544 1.00 0.00 C ATOM 777 C CYS A 55 0.941 16.231 -1.835 1.00 0.00 C ATOM 778 O CYS A 55 0.349 15.158 -1.721 1.00 0.00 O ATOM 779 CB CYS A 55 -1.201 17.206 -2.684 1.00 0.00 C ATOM 780 SG CYS A 55 -2.174 18.729 -2.636 1.00 0.00 S ATOM 0 H CYS A 55 1.139 16.772 -4.355 1.00 0.00 H new ATOM 0 HA CYS A 55 0.483 18.315 -1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.397 16.692 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.538 16.547 -1.884 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.439 19.726 -3.031 1.00 0.00 H new ATOM 786 N PRO A 56 2.176 16.421 -1.348 1.00 0.00 N ATOM 787 CA PRO A 56 2.919 15.372 -0.643 1.00 0.00 C ATOM 788 C PRO A 56 2.321 15.059 0.725 1.00 0.00 C ATOM 789 O PRO A 56 2.600 14.011 1.310 1.00 0.00 O ATOM 790 CB PRO A 56 4.319 15.971 -0.490 1.00 0.00 C ATOM 791 CG PRO A 56 4.107 17.445 -0.524 1.00 0.00 C ATOM 792 CD PRO A 56 2.942 17.674 -1.447 1.00 0.00 C ATOM 0 HA PRO A 56 2.902 14.426 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.783 15.659 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.978 15.647 -1.296 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.897 17.832 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.998 17.959 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.348 18.534 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.270 17.864 -2.469 1.00 0.00 H new ATOM 800 N LEU A 57 1.499 15.972 1.230 1.00 0.00 N ATOM 801 CA LEU A 57 0.862 15.792 2.530 1.00 0.00 C ATOM 802 C LEU A 57 -0.320 14.833 2.428 1.00 0.00 C ATOM 803 O LEU A 57 -0.728 14.230 3.420 1.00 0.00 O ATOM 804 CB LEU A 57 0.394 17.140 3.080 1.00 0.00 C ATOM 805 CG LEU A 57 1.496 18.108 3.514 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.919 19.490 3.779 1.00 0.00 C ATOM 807 CD2 LEU A 57 2.212 17.581 4.749 1.00 0.00 C ATOM 0 H LEU A 57 1.258 16.844 0.759 1.00 0.00 H new ATOM 0 HA LEU A 57 1.596 15.363 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.213 17.630 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.256 16.955 3.935 1.00 0.00 H new ATOM 0 HG LEU A 57 2.221 18.189 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.718 20.165 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.453 19.870 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.172 19.427 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.993 18.282 5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.497 17.470 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.660 16.613 4.525 1.00 0.00 H new ATOM 819 N MET A 58 -0.863 14.697 1.223 1.00 0.00 N ATOM 820 CA MET A 58 -1.996 13.808 0.992 1.00 0.00 C ATOM 821 C MET A 58 -1.710 12.411 1.533 1.00 0.00 C ATOM 822 O MET A 58 -2.623 11.698 1.951 1.00 0.00 O ATOM 823 CB MET A 58 -2.317 13.734 -0.502 1.00 0.00 C ATOM 824 CG MET A 58 -3.681 13.134 -0.801 1.00 0.00 C ATOM 825 SD MET A 58 -4.394 13.761 -2.334 1.00 0.00 S ATOM 826 CE MET A 58 -5.186 15.258 -1.752 1.00 0.00 C ATOM 0 H MET A 58 -0.537 15.190 0.392 1.00 0.00 H new ATOM 0 HA MET A 58 -2.858 14.213 1.522 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.270 14.737 -0.926 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.551 13.141 -1.001 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.591 12.050 -0.864 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.358 13.350 0.025 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.180 15.338 -2.191 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.271 15.226 -0.666 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.590 16.122 -2.044 1.00 0.00 H new ATOM 836 N ILE A 59 -0.438 12.026 1.522 1.00 0.00 N ATOM 837 CA ILE A 59 -0.033 10.714 2.012 1.00 0.00 C ATOM 838 C ILE A 59 0.602 10.816 3.395 1.00 0.00 C ATOM 839 O ILE A 59 1.291 11.789 3.702 1.00 0.00 O ATOM 840 CB ILE A 59 0.961 10.037 1.051 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.358 9.929 -0.351 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.349 8.661 1.574 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.949 9.169 -0.389 1.00 0.00 C ATOM 0 H ILE A 59 0.330 12.604 1.179 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.936 10.107 2.074 1.00 0.00 H new ATOM 0 HB ILE A 59 1.861 10.650 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.198 10.932 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.074 9.437 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.052 8.195 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.815 8.762 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.458 8.039 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.319 9.132 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.791 8.154 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.681 9.672 0.243 1.00 0.00 H new ATOM 855 N SER A 60 0.366 9.805 4.224 1.00 0.00 N ATOM 856 CA SER A 60 0.914 9.781 5.575 1.00 0.00 C ATOM 857 C SER A 60 1.735 8.516 5.807 1.00 0.00 C ATOM 858 O SER A 60 1.533 7.501 5.141 1.00 0.00 O ATOM 859 CB SER A 60 -0.213 9.866 6.607 1.00 0.00 C ATOM 860 OG SER A 60 -0.438 11.207 7.007 1.00 0.00 O ATOM 0 H SER A 60 -0.201 8.992 3.984 1.00 0.00 H new ATOM 0 HA SER A 60 1.569 10.645 5.689 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.128 9.450 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.040 9.261 7.478 1.00 0.00 H new ATOM 0 HG SER A 60 -1.164 11.235 7.665 1.00 0.00 H new ATOM 866 N ARG A 61 2.664 8.586 6.755 1.00 0.00 N ATOM 867 CA ARG A 61 3.517 7.449 7.074 1.00 0.00 C ATOM 868 C ARG A 61 2.681 6.205 7.361 1.00 0.00 C ATOM 869 O ARG A 61 1.750 6.242 8.164 1.00 0.00 O ATOM 870 CB ARG A 61 4.402 7.770 8.280 1.00 0.00 C ATOM 871 CG ARG A 61 3.652 8.422 9.430 1.00 0.00 C ATOM 872 CD ARG A 61 4.276 8.072 10.772 1.00 0.00 C ATOM 873 NE ARG A 61 3.805 6.785 11.276 1.00 0.00 N ATOM 874 CZ ARG A 61 4.163 6.281 12.452 1.00 0.00 C ATOM 875 NH1 ARG A 61 4.991 6.952 13.240 1.00 0.00 N ATOM 876 NH2 ARG A 61 3.691 5.104 12.841 1.00 0.00 N ATOM 0 H ARG A 61 2.845 9.419 7.315 1.00 0.00 H new ATOM 0 HA ARG A 61 4.150 7.249 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.865 6.849 8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.209 8.431 7.962 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.652 9.504 9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.611 8.099 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.361 8.047 10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.041 8.853 11.496 1.00 0.00 H new ATOM 0 HE ARG A 61 3.166 6.243 10.694 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.355 7.858 12.944 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.264 6.563 14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.053 4.586 12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.966 4.717 13.744 1.00 0.00 H new ATOM 890 N ASN A 62 3.020 5.104 6.697 1.00 0.00 N ATOM 891 CA ASN A 62 2.300 3.849 6.879 1.00 0.00 C ATOM 892 C ASN A 62 0.841 3.993 6.456 1.00 0.00 C ATOM 893 O ASN A 62 -0.062 3.479 7.118 1.00 0.00 O ATOM 894 CB ASN A 62 2.377 3.401 8.340 1.00 0.00 C ATOM 895 CG ASN A 62 3.791 3.450 8.886 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.311 4.521 9.199 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.421 2.286 9.002 1.00 0.00 N ATOM 0 H ASN A 62 3.789 5.056 6.028 1.00 0.00 H new ATOM 0 HA ASN A 62 2.770 3.094 6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.734 4.038 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.992 2.385 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.375 2.256 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.951 1.422 8.730 1.00 0.00 H new ATOM 904 N HIS A 63 0.618 4.694 5.349 1.00 0.00 N ATOM 905 CA HIS A 63 -0.731 4.904 4.836 1.00 0.00 C ATOM 906 C HIS A 63 -1.474 3.578 4.703 1.00 0.00 C ATOM 907 O HIS A 63 -2.698 3.526 4.830 1.00 0.00 O ATOM 908 CB HIS A 63 -0.680 5.611 3.481 1.00 0.00 C ATOM 909 CG HIS A 63 -1.946 6.330 3.133 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.062 7.704 3.156 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.156 5.858 2.750 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.289 8.046 2.803 1.00 0.00 C ATOM 913 NE2 HIS A 63 -3.972 6.944 2.551 1.00 0.00 N ATOM 0 H HIS A 63 1.354 5.126 4.790 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.269 5.533 5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.144 6.324 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.464 4.877 2.705 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.428 4.820 2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.668 9.055 2.733 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.948 6.906 2.256 1.00 0.00 H new ATOM 921 N CYS A 64 -0.728 2.510 4.446 1.00 0.00 N ATOM 922 CA CYS A 64 -1.316 1.184 4.295 1.00 0.00 C ATOM 923 C CYS A 64 -0.265 0.097 4.494 1.00 0.00 C ATOM 924 O CYS A 64 0.936 0.362 4.442 1.00 0.00 O ATOM 925 CB CYS A 64 -1.959 1.043 2.914 1.00 0.00 C ATOM 926 SG CYS A 64 -0.771 0.939 1.555 1.00 0.00 S ATOM 0 H CYS A 64 0.286 2.536 4.338 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.084 1.065 5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.584 0.150 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.617 1.895 2.743 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.391 0.609 0.461 1.00 0.00 H new ATOM 932 N VAL A 65 -0.726 -1.129 4.722 1.00 0.00 N ATOM 933 CA VAL A 65 0.174 -2.258 4.929 1.00 0.00 C ATOM 934 C VAL A 65 -0.436 -3.551 4.402 1.00 0.00 C ATOM 935 O VAL A 65 -1.480 -3.998 4.879 1.00 0.00 O ATOM 936 CB VAL A 65 0.518 -2.435 6.420 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.495 -3.585 6.610 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.083 -1.144 6.993 1.00 0.00 C ATOM 0 H VAL A 65 -1.717 -1.366 4.768 1.00 0.00 H new ATOM 0 HA VAL A 65 1.088 -2.040 4.376 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.398 -2.675 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.726 -3.695 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.048 -4.507 6.239 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.412 -3.378 6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.320 -1.287 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.988 -0.871 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.346 -0.348 6.892 1.00 0.00 H new ATOM 948 N LEU A 66 0.222 -4.151 3.416 1.00 0.00 N ATOM 949 CA LEU A 66 -0.256 -5.395 2.823 1.00 0.00 C ATOM 950 C LEU A 66 0.416 -6.601 3.474 1.00 0.00 C ATOM 951 O LEU A 66 1.566 -6.526 3.907 1.00 0.00 O ATOM 952 CB LEU A 66 0.010 -5.401 1.317 1.00 0.00 C ATOM 953 CG LEU A 66 -0.957 -4.580 0.462 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.318 -3.263 0.050 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.389 -5.372 -0.763 1.00 0.00 C ATOM 0 H LEU A 66 1.088 -3.796 3.010 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.330 -5.462 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.020 -5.030 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.014 -6.433 0.968 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.843 -4.360 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.020 -2.692 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.059 -2.690 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.584 -3.462 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.077 -4.773 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.513 -5.623 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.887 -6.288 -0.447 1.00 0.00 H new ATOM 967 N LYS A 67 -0.309 -7.712 3.538 1.00 0.00 N ATOM 968 CA LYS A 67 0.216 -8.936 4.131 1.00 0.00 C ATOM 969 C LYS A 67 -0.770 -10.088 3.966 1.00 0.00 C ATOM 970 O LYS A 67 -1.982 -9.878 3.927 1.00 0.00 O ATOM 971 CB LYS A 67 0.518 -8.718 5.616 1.00 0.00 C ATOM 972 CG LYS A 67 -0.704 -8.341 6.436 1.00 0.00 C ATOM 973 CD LYS A 67 -0.427 -7.147 7.333 1.00 0.00 C ATOM 974 CE LYS A 67 0.011 -7.583 8.723 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.988 -7.210 9.762 1.00 0.00 N ATOM 0 H LYS A 67 -1.263 -7.790 3.186 1.00 0.00 H new ATOM 0 HA LYS A 67 1.139 -9.195 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.954 -9.628 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.268 -7.933 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.534 -8.111 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.011 -9.191 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.348 -6.526 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.324 -6.532 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.161 -8.663 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.971 -7.125 8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.653 -7.524 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.113 -6.178 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.898 -7.667 9.549 1.00 0.00 H new ATOM 989 N GLN A 68 -0.242 -11.304 3.871 1.00 0.00 N ATOM 990 CA GLN A 68 -1.077 -12.488 3.710 1.00 0.00 C ATOM 991 C GLN A 68 -1.483 -13.056 5.067 1.00 0.00 C ATOM 992 O GLN A 68 -0.638 -13.500 5.843 1.00 0.00 O ATOM 993 CB GLN A 68 -0.337 -13.554 2.899 1.00 0.00 C ATOM 994 CG GLN A 68 0.005 -13.113 1.485 1.00 0.00 C ATOM 995 CD GLN A 68 0.682 -14.205 0.681 1.00 0.00 C ATOM 996 OE1 GLN A 68 1.822 -14.580 0.959 1.00 0.00 O ATOM 997 NE2 GLN A 68 -0.017 -14.722 -0.322 1.00 0.00 N ATOM 0 H GLN A 68 0.759 -11.495 3.903 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.980 -12.195 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.582 -13.822 3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.950 -14.454 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.907 -12.803 0.974 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.658 -12.241 1.528 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.958 -14.381 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.387 -15.460 -0.898 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.782 -13.038 5.345 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.300 -13.550 6.609 1.00 0.00 C ATOM 1008 C ASN A 69 -2.783 -14.960 6.877 1.00 0.00 C ATOM 1009 O ASN A 69 -2.331 -15.665 5.974 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.830 -13.550 6.594 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.396 -14.189 5.341 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.910 -15.224 4.884 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.430 -13.574 4.778 1.00 0.00 N ATOM 0 H ASN A 69 -3.495 -12.675 4.713 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.951 -12.896 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.199 -14.084 7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.191 -12.524 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.853 -13.958 3.933 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.801 -12.718 5.191 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.850 -15.383 8.148 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.394 -16.712 8.566 1.00 0.00 C ATOM 1022 C PRO A 70 -2.954 -17.821 7.682 1.00 0.00 C ATOM 1023 O PRO A 70 -2.349 -18.883 7.545 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.934 -16.841 9.992 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.045 -15.438 10.483 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.376 -14.596 9.276 1.00 0.00 C ATOM 0 HA PRO A 70 -1.311 -16.812 8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.902 -17.343 10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.262 -17.428 10.618 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.822 -15.352 11.243 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.112 -15.111 10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.450 -14.432 9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.907 -13.614 9.332 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.114 -17.566 7.084 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.755 -18.544 6.213 1.00 0.00 C ATOM 1036 C GLU A 71 -3.933 -18.768 4.947 1.00 0.00 C ATOM 1037 O GLU A 71 -3.821 -19.891 4.457 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.166 -18.082 5.843 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.970 -17.571 7.026 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.467 -17.667 6.801 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.901 -18.603 6.097 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.203 -16.807 7.327 1.00 0.00 O ATOM 0 H GLU A 71 -4.628 -16.691 7.187 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.819 -19.488 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.096 -17.293 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.702 -18.912 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.703 -18.142 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.702 -16.533 7.221 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.359 -17.689 4.423 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.555 -17.788 3.219 1.00 0.00 C ATOM 1051 C GLY A 72 -3.102 -16.944 2.085 1.00 0.00 C ATOM 1052 O GLY A 72 -2.779 -17.174 0.920 1.00 0.00 O ATOM 0 H GLY A 72 -3.436 -16.749 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.535 -17.476 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.508 -18.830 2.902 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.935 -15.966 2.426 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.531 -15.087 1.426 1.00 0.00 C ATOM 1058 C GLN A 73 -4.138 -13.635 1.675 1.00 0.00 C ATOM 1059 O GLN A 73 -4.140 -13.168 2.814 1.00 0.00 O ATOM 1060 CB GLN A 73 -6.054 -15.225 1.438 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.765 -14.188 0.584 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.295 -14.196 -0.857 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.799 -15.208 -1.354 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.448 -13.066 -1.536 1.00 0.00 N ATOM 0 H GLN A 73 -4.212 -15.762 3.386 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.154 -15.384 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.323 -16.221 1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.410 -15.144 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.839 -14.374 0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.601 -13.198 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.864 -12.252 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.150 -13.012 -2.510 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.800 -12.927 0.603 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.404 -11.527 0.706 1.00 0.00 C ATOM 1075 C TRP A 74 -4.531 -10.684 1.293 1.00 0.00 C ATOM 1076 O TRP A 74 -5.701 -10.872 0.957 1.00 0.00 O ATOM 1077 CB TRP A 74 -3.009 -10.986 -0.669 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.567 -11.215 -1.006 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -1.070 -12.078 -1.940 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.435 -10.573 -0.409 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.302 -12.012 -1.960 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.716 -11.095 -1.031 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.281 -9.606 0.589 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.001 -10.682 -0.685 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 0.994 -9.198 0.931 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.121 -9.735 0.295 1.00 0.00 C ATOM 0 H TRP A 74 -3.792 -13.299 -0.347 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.545 -11.466 1.374 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.632 -11.457 -1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.217 -9.917 -0.704 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.668 -12.719 -2.571 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.913 -12.557 -2.568 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.144 -9.185 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.871 -11.095 -1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.124 -8.453 1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.104 -9.394 0.584 1.00 0.00 H new ATOM 1097 N THR A 75 -4.171 -9.754 2.173 1.00 0.00 N ATOM 1098 CA THR A 75 -5.152 -8.883 2.808 1.00 0.00 C ATOM 1099 C THR A 75 -4.576 -7.494 3.055 1.00 0.00 C ATOM 1100 O THR A 75 -3.564 -7.345 3.741 1.00 0.00 O ATOM 1101 CB THR A 75 -5.641 -9.469 4.146 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.535 -10.010 4.877 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.681 -10.555 3.913 1.00 0.00 C ATOM 0 H THR A 75 -3.207 -9.585 2.462 1.00 0.00 H new ATOM 0 HA THR A 75 -5.996 -8.806 2.123 1.00 0.00 H new ATOM 0 HB THR A 75 -6.100 -8.666 4.723 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.696 -9.729 4.456 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.012 -10.954 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.534 -10.134 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.243 -11.357 3.318 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.225 -6.480 2.492 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.777 -5.103 2.654 1.00 0.00 C ATOM 1113 C ILE A 76 -5.358 -4.480 3.919 1.00 0.00 C ATOM 1114 O ILE A 76 -6.567 -4.522 4.144 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.170 -4.237 1.442 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.640 -2.812 1.613 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.681 -4.229 1.264 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.406 -2.093 0.302 1.00 0.00 C ATOM 0 H ILE A 76 -6.063 -6.587 1.920 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.690 -5.132 2.733 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.721 -4.666 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.348 -2.239 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.705 -2.845 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.943 -3.613 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.034 -5.248 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.151 -3.821 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.031 -1.089 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.675 -2.644 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.344 -2.028 -0.250 1.00 0.00 H new ATOM 1130 N MET A 77 -4.488 -3.902 4.741 1.00 0.00 N ATOM 1131 CA MET A 77 -4.916 -3.268 5.982 1.00 0.00 C ATOM 1132 C MET A 77 -4.383 -1.842 6.076 1.00 0.00 C ATOM 1133 O MET A 77 -3.206 -1.591 5.814 1.00 0.00 O ATOM 1134 CB MET A 77 -4.440 -4.083 7.186 1.00 0.00 C ATOM 1135 CG MET A 77 -4.879 -3.505 8.522 1.00 0.00 C ATOM 1136 SD MET A 77 -3.639 -3.721 9.813 1.00 0.00 S ATOM 1137 CE MET A 77 -2.511 -2.384 9.426 1.00 0.00 C ATOM 0 H MET A 77 -3.483 -3.860 4.570 1.00 0.00 H new ATOM 0 HA MET A 77 -6.005 -3.231 5.985 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.819 -5.101 7.098 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.352 -4.144 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.091 -2.443 8.402 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.808 -3.983 8.832 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.493 -2.683 9.676 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.571 -2.154 8.362 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.782 -1.501 10.004 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.255 -0.912 6.449 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.871 0.489 6.578 1.00 0.00 C ATOM 1149 C ASP A 78 -4.448 0.807 8.008 1.00 0.00 C ATOM 1150 O ASP A 78 -5.226 0.645 8.947 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.029 1.397 6.161 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.654 0.973 4.847 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -5.919 0.883 3.842 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -7.880 0.731 4.823 1.00 0.00 O ATOM 0 H ASP A 78 -6.233 -1.103 6.667 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.022 0.670 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.791 1.391 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.670 2.422 6.075 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.208 1.260 8.166 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.681 1.600 9.483 1.00 0.00 C ATOM 1161 C ASN A 79 -3.250 2.929 9.971 1.00 0.00 C ATOM 1162 O ASN A 79 -2.542 3.934 10.036 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.153 1.672 9.440 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.523 1.387 10.789 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.204 1.371 11.814 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.786 1.161 10.795 1.00 0.00 N ATOM 0 H ASN A 79 -2.550 1.400 7.399 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.983 0.818 10.180 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.779 0.956 8.709 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.848 2.662 9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.266 0.964 11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.312 1.184 9.921 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.534 2.926 10.314 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.199 4.129 10.798 1.00 0.00 C ATOM 1175 C LYS A 80 -4.978 5.296 9.841 1.00 0.00 C ATOM 1176 O LYS A 80 -4.351 6.293 10.199 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.686 4.494 12.193 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.429 3.793 13.317 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.425 4.623 14.590 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.101 4.502 15.330 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.077 5.336 16.563 1.00 0.00 N ATOM 0 H LYS A 80 -5.135 2.103 10.265 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.268 3.926 10.853 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.627 4.245 12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.769 5.572 12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.457 3.600 13.010 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.968 2.825 13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.612 5.668 14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.237 4.298 15.240 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.926 3.459 15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.287 4.805 14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.159 5.226 17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.218 6.335 16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.837 5.031 17.204 1.00 0.00 H new ATOM 1195 N SER A 81 -5.497 5.165 8.625 1.00 0.00 N ATOM 1196 CA SER A 81 -5.353 6.208 7.616 1.00 0.00 C ATOM 1197 C SER A 81 -6.136 7.457 8.010 1.00 0.00 C ATOM 1198 O SER A 81 -7.275 7.370 8.473 1.00 0.00 O ATOM 1199 CB SER A 81 -5.833 5.700 6.255 1.00 0.00 C ATOM 1200 OG SER A 81 -6.958 4.851 6.395 1.00 0.00 O ATOM 0 H SER A 81 -6.021 4.347 8.314 1.00 0.00 H new ATOM 0 HA SER A 81 -4.297 6.469 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.089 6.546 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.026 5.160 5.760 1.00 0.00 H new ATOM 0 HG SER A 81 -7.765 5.394 6.514 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.518 8.618 7.824 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.156 9.886 8.160 1.00 0.00 C ATOM 1208 C LEU A 82 -7.161 10.291 7.087 1.00 0.00 C ATOM 1209 O LEU A 82 -8.348 10.458 7.365 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.102 10.982 8.327 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.633 12.391 8.591 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -5.786 12.632 10.085 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -4.714 13.433 7.972 1.00 0.00 C ATOM 0 H LEU A 82 -4.576 8.708 7.443 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.690 9.757 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.445 10.703 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.490 11.009 7.426 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.615 12.481 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.165 13.640 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.486 11.907 10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.817 12.522 10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.108 14.430 8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.718 13.344 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.656 13.273 6.895 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.678 10.445 5.858 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.535 10.829 4.742 1.00 0.00 C ATOM 1227 C ASN A 83 -8.502 9.704 4.387 1.00 0.00 C ATOM 1228 O ASN A 83 -9.609 9.950 3.909 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.686 11.191 3.522 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.482 12.038 3.886 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -4.431 11.515 4.259 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.630 13.353 3.779 1.00 0.00 N ATOM 0 H ASN A 83 -5.698 10.310 5.610 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.115 11.701 5.044 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.349 10.277 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.301 11.730 2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.854 13.974 4.010 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.519 13.742 3.466 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.075 8.467 4.625 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.915 7.322 4.325 1.00 0.00 C ATOM 1241 C GLY A 84 -8.425 6.543 3.120 1.00 0.00 C ATOM 1242 O GLY A 84 -7.819 7.110 2.210 1.00 0.00 O ATOM 0 H GLY A 84 -7.163 8.238 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.947 6.662 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.935 7.661 4.144 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.686 5.240 3.113 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.267 4.382 2.011 1.00 0.00 C ATOM 1248 C VAL A 85 -9.472 3.803 1.277 1.00 0.00 C ATOM 1249 O VAL A 85 -10.461 3.413 1.897 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.378 3.227 2.507 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.789 2.463 1.330 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.277 3.754 3.415 1.00 0.00 C ATOM 0 H VAL A 85 -9.186 4.755 3.858 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.692 5.004 1.325 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.995 2.539 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.164 1.651 1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.596 2.052 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.185 3.138 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.658 2.924 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.660 4.464 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.723 4.252 4.276 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.380 3.750 -0.047 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.463 3.217 -0.866 1.00 0.00 C ATOM 1264 C TRP A 86 -10.044 1.918 -1.544 1.00 0.00 C ATOM 1265 O TRP A 86 -8.874 1.730 -1.880 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.885 4.243 -1.919 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.113 5.613 -1.356 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.214 6.641 -1.312 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.316 6.103 -0.755 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.787 7.741 -0.720 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.076 7.437 -0.370 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.573 5.547 -0.506 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.047 8.219 0.251 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.536 6.323 0.110 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.269 7.648 0.482 1.00 0.00 C ATOM 0 H TRP A 86 -8.568 4.069 -0.576 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.310 3.007 -0.213 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.117 4.298 -2.690 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.799 3.900 -2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.202 6.596 -1.687 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.327 8.638 -0.566 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.789 4.528 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.843 9.239 0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.511 5.902 0.308 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.043 8.230 0.960 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.005 1.023 -1.743 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.735 -0.261 -2.382 1.00 0.00 C ATOM 1288 C LEU A 87 -11.918 -0.703 -3.237 1.00 0.00 C ATOM 1289 O LEU A 87 -12.969 -1.075 -2.716 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.428 -1.324 -1.327 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.232 -2.749 -1.846 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.113 -2.792 -2.875 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -9.939 -3.700 -0.695 1.00 0.00 C ATOM 0 H LEU A 87 -11.978 1.162 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.867 -0.141 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.526 -1.026 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.241 -1.332 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.155 -3.070 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.987 -3.814 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.364 -2.142 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.184 -2.451 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.802 -4.709 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.031 -3.382 -0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.773 -3.691 0.006 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.739 -0.661 -4.554 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.792 -1.059 -5.481 1.00 0.00 C ATOM 1307 C ASN A 88 -14.047 -0.216 -5.274 1.00 0.00 C ATOM 1308 O ASN A 88 -15.158 -0.743 -5.211 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.125 -2.542 -5.301 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.140 -3.447 -6.016 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.409 -3.008 -6.904 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.115 -4.717 -5.629 1.00 0.00 N ATOM 0 H ASN A 88 -10.875 -0.356 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.429 -0.895 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.131 -2.784 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.130 -2.734 -5.677 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.471 -5.373 -6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.739 -5.037 -4.888 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.861 1.096 -5.171 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.977 2.012 -4.971 1.00 0.00 C ATOM 1321 C ARG A 89 -15.672 1.740 -3.640 1.00 0.00 C ATOM 1322 O ARG A 89 -16.899 1.666 -3.573 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.981 1.885 -6.118 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.334 1.858 -7.493 1.00 0.00 C ATOM 1325 CD ARG A 89 -14.670 3.186 -7.822 1.00 0.00 C ATOM 1326 NE ARG A 89 -14.222 3.245 -9.211 1.00 0.00 N ATOM 1327 CZ ARG A 89 -13.142 2.617 -9.662 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -12.403 1.887 -8.839 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -12.799 2.719 -10.940 1.00 0.00 N ATOM 0 H ARG A 89 -12.948 1.548 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.582 3.028 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.563 0.973 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.681 2.719 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.593 1.060 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.088 1.630 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.371 3.999 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.818 3.339 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.768 3.799 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.663 1.806 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.574 1.406 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.365 3.280 -11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.969 2.236 -11.285 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.879 1.590 -2.584 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.418 1.328 -1.255 1.00 0.00 C ATOM 1345 C ALA A 90 -14.505 1.891 -0.171 1.00 0.00 C ATOM 1346 O ALA A 90 -13.282 1.797 -0.266 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.620 -0.167 -1.053 1.00 0.00 C ATOM 0 H ALA A 90 -13.861 1.645 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.383 1.828 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.023 -0.348 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.318 -0.544 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.664 -0.681 -1.157 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.108 2.478 0.857 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.349 3.059 1.958 1.00 0.00 C ATOM 1355 C ARG A 91 -13.831 1.971 2.895 1.00 0.00 C ATOM 1356 O ARG A 91 -14.546 1.020 3.215 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.216 4.048 2.739 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.443 4.857 3.767 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.906 6.305 3.799 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.824 6.877 5.140 1.00 0.00 N ATOM 1361 CZ ARG A 91 -13.681 7.213 5.727 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -12.530 7.037 5.094 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -13.688 7.728 6.951 1.00 0.00 N ATOM 0 H ARG A 91 -16.120 2.564 0.951 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.495 3.589 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.695 4.731 2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.012 3.500 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.571 4.411 4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.379 4.819 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.296 6.896 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.934 6.365 3.442 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.692 7.027 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.520 6.643 4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.654 7.296 5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.572 7.866 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.810 7.986 7.401 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.585 2.117 3.331 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.970 1.147 4.231 1.00 0.00 C ATOM 1379 C LEU A 92 -11.899 1.693 5.653 1.00 0.00 C ATOM 1380 O LEU A 92 -11.973 2.902 5.868 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.568 0.784 3.740 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.480 0.198 2.331 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.049 0.253 1.818 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.000 -1.232 2.314 1.00 0.00 C ATOM 0 H LEU A 92 -11.980 2.898 3.076 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.589 0.250 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.948 1.680 3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.135 0.067 4.438 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.105 0.798 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.006 -0.169 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.712 1.289 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.403 -0.322 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.930 -1.633 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.403 -1.844 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.041 -1.245 2.638 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.753 0.793 6.620 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.670 1.185 8.022 1.00 0.00 C ATOM 1398 C GLU A 93 -10.249 1.016 8.551 1.00 0.00 C ATOM 1399 O GLU A 93 -9.432 0.288 7.987 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.642 0.358 8.865 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.035 0.957 8.952 1.00 0.00 C ATOM 1402 CD GLU A 93 -14.952 0.465 7.848 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -14.887 1.019 6.731 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -15.733 -0.476 8.102 1.00 0.00 O ATOM 0 H GLU A 93 -11.690 -0.212 6.458 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.943 2.238 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.713 -0.645 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.238 0.253 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.473 0.711 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.963 2.043 8.902 1.00 0.00 H new ATOM 1411 N PRO A 94 -9.945 1.705 9.661 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.623 1.648 10.292 1.00 0.00 C ATOM 1413 C PRO A 94 -8.347 0.295 10.938 1.00 0.00 C ATOM 1414 O PRO A 94 -9.198 -0.256 11.638 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.689 2.746 11.356 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.140 2.882 11.670 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.869 2.593 10.387 1.00 0.00 C ATOM 0 HA PRO A 94 -7.820 1.786 9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.116 2.474 12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.275 3.683 10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.437 2.185 12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.369 3.884 12.032 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.829 2.110 10.570 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.073 3.505 9.827 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.152 -0.236 10.701 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.764 -1.526 11.262 1.00 0.00 C ATOM 1427 C LEU A 95 -7.815 -2.590 10.960 1.00 0.00 C ATOM 1428 O LEU A 95 -8.334 -3.239 11.868 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.561 -1.407 12.773 1.00 0.00 C ATOM 1430 CG LEU A 95 -5.839 -0.150 13.257 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -5.619 -0.206 14.761 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.514 0.019 12.528 1.00 0.00 C ATOM 0 H LEU A 95 -6.436 0.206 10.125 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.825 -1.828 10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.538 -1.449 13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.000 -2.277 13.114 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.466 0.714 13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.104 0.697 15.087 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.582 -0.277 15.267 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.014 -1.078 15.008 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.014 0.919 12.886 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.881 -0.848 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.697 0.107 11.457 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.121 -2.764 9.678 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.109 -3.750 9.257 1.00 0.00 C ATOM 1446 C ARG A 96 -8.536 -4.669 8.181 1.00 0.00 C ATOM 1447 O ARG A 96 -7.643 -4.279 7.429 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.365 -3.052 8.730 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.609 -3.924 8.774 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.510 -3.550 9.941 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.546 -4.553 10.176 1.00 0.00 N ATOM 1452 CZ ARG A 96 -13.301 -5.759 10.676 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -12.062 -6.110 10.992 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -14.296 -6.616 10.861 1.00 0.00 N ATOM 0 H ARG A 96 -7.699 -2.236 8.914 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.374 -4.355 10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.543 -2.150 9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.190 -2.735 7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.160 -3.821 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.318 -4.971 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.907 -3.434 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.977 -2.585 9.743 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.510 -4.314 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.294 -5.453 10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.877 -7.037 11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.250 -6.349 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.107 -7.542 11.245 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.055 -5.890 8.115 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.596 -6.864 7.132 1.00 0.00 C ATOM 1470 C VAL A 97 -9.507 -6.883 5.910 1.00 0.00 C ATOM 1471 O VAL A 97 -10.728 -6.984 6.034 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.533 -8.281 7.733 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.980 -9.268 6.716 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.693 -8.284 9.002 1.00 0.00 C ATOM 0 H VAL A 97 -9.794 -6.229 8.731 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.594 -6.560 6.830 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.545 -8.592 7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.943 -10.264 7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.625 -9.285 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.975 -8.964 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.659 -9.293 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.681 -7.953 8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.137 -7.609 9.734 1.00 0.00 H new ATOM 1484 N TYR A 98 -8.905 -6.785 4.730 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.662 -6.788 3.483 1.00 0.00 C ATOM 1486 C TYR A 98 -9.015 -7.711 2.455 1.00 0.00 C ATOM 1487 O TYR A 98 -7.918 -7.442 1.967 1.00 0.00 O ATOM 1488 CB TYR A 98 -9.764 -5.370 2.920 1.00 0.00 C ATOM 1489 CG TYR A 98 -10.694 -4.472 3.704 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.073 -4.617 3.611 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.195 -3.478 4.537 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -12.927 -3.799 4.325 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.042 -2.657 5.255 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.407 -2.821 5.146 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.254 -2.003 5.859 1.00 0.00 O ATOM 0 H TYR A 98 -7.895 -6.703 4.610 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.664 -7.159 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.770 -4.923 2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.108 -5.422 1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.484 -5.382 2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.127 -3.345 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.996 -3.925 4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.637 -1.890 5.899 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.079 -2.107 6.818 1.00 0.00 H new ATOM 1505 N SER A 99 -9.704 -8.801 2.131 1.00 0.00 N ATOM 1506 CA SER A 99 -9.196 -9.766 1.163 1.00 0.00 C ATOM 1507 C SER A 99 -9.261 -9.201 -0.253 1.00 0.00 C ATOM 1508 O SER A 99 -10.342 -8.924 -0.773 1.00 0.00 O ATOM 1509 CB SER A 99 -9.995 -11.068 1.242 1.00 0.00 C ATOM 1510 OG SER A 99 -10.757 -11.127 2.436 1.00 0.00 O ATOM 0 H SER A 99 -10.615 -9.038 2.525 1.00 0.00 H new ATOM 0 HA SER A 99 -8.154 -9.972 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.658 -11.145 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.315 -11.919 1.198 1.00 0.00 H new ATOM 0 HG SER A 99 -11.260 -11.968 2.462 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.096 -9.034 -0.870 1.00 0.00 N ATOM 1517 CA ILE A 100 -8.020 -8.503 -2.226 1.00 0.00 C ATOM 1518 C ILE A 100 -7.855 -9.624 -3.246 1.00 0.00 C ATOM 1519 O ILE A 100 -7.491 -10.748 -2.897 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.852 -7.511 -2.377 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.525 -8.196 -2.045 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -7.068 -6.299 -1.482 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.323 -7.291 -2.198 1.00 0.00 C ATOM 0 H ILE A 100 -7.193 -9.258 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.957 -7.979 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.814 -7.172 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.563 -8.566 -1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.401 -9.064 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.234 -5.607 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.996 -5.800 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.129 -6.621 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.417 -7.843 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.260 -6.941 -3.228 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.424 -6.436 -1.530 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.122 -9.311 -4.510 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.001 -10.292 -5.583 1.00 0.00 C ATOM 1537 C HIS A 101 -7.635 -9.614 -6.900 1.00 0.00 C ATOM 1538 O HIS A 101 -7.730 -8.393 -7.027 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.308 -11.070 -5.741 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.768 -11.732 -4.479 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.129 -12.822 -3.925 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.809 -11.452 -3.661 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.759 -13.184 -2.822 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.782 -12.368 -2.639 1.00 0.00 N ATOM 0 H HIS A 101 -8.424 -8.386 -4.816 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.204 -10.987 -5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.086 -10.390 -6.089 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.179 -11.829 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.528 -10.656 -3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.485 -14.007 -2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.444 -12.412 -1.864 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.218 -10.414 -7.875 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.837 -9.890 -9.182 1.00 0.00 C ATOM 1554 C GLN A 102 -7.937 -9.003 -9.754 1.00 0.00 C ATOM 1555 O GLN A 102 -9.069 -9.445 -9.944 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.536 -11.037 -10.147 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.011 -10.575 -11.497 1.00 0.00 C ATOM 1558 CD GLN A 102 -4.501 -10.672 -11.600 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -3.818 -10.962 -10.617 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -3.972 -10.429 -12.793 1.00 0.00 N ATOM 0 H GLN A 102 -7.135 -11.427 -7.786 1.00 0.00 H new ATOM 0 HA GLN A 102 -5.938 -9.287 -9.056 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.803 -11.702 -9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.444 -11.620 -10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.465 -11.177 -12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.318 -9.543 -11.668 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.576 -10.192 -13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.962 -10.479 -12.923 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.597 -7.747 -10.027 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.567 -6.817 -10.575 1.00 0.00 C ATOM 1571 C GLY A 103 -9.115 -5.867 -9.528 1.00 0.00 C ATOM 1572 O GLY A 103 -10.298 -5.525 -9.550 1.00 0.00 O ATOM 0 H GLY A 103 -6.666 -7.357 -9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.102 -6.242 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.390 -7.376 -11.021 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.255 -5.442 -8.610 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.660 -4.527 -7.549 1.00 0.00 C ATOM 1578 C ASP A 104 -8.123 -3.123 -7.809 1.00 0.00 C ATOM 1579 O ASP A 104 -7.350 -2.906 -8.742 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.165 -5.032 -6.193 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.179 -5.923 -5.502 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.991 -6.555 -6.208 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.161 -5.986 -4.255 1.00 0.00 O ATOM 0 H ASP A 104 -7.273 -5.716 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.749 -4.484 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.235 -5.584 -6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.938 -4.180 -5.552 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.540 -2.173 -6.980 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.104 -0.789 -7.122 1.00 0.00 C ATOM 1590 C TYR A 105 -7.885 -0.143 -5.757 1.00 0.00 C ATOM 1591 O TYR A 105 -8.841 0.192 -5.056 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.134 0.013 -7.918 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.760 0.207 -9.370 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.767 -0.863 -10.258 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.399 1.458 -9.855 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.425 -0.691 -11.585 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.058 1.639 -11.181 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.072 0.561 -12.042 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.731 0.737 -13.364 1.00 0.00 O ATOM 0 H TYR A 105 -9.180 -2.336 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.156 -0.787 -7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.097 -0.494 -7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.262 0.990 -7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.044 -1.845 -9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.385 2.304 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.434 -1.533 -12.261 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.782 2.619 -11.542 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.743 1.693 -13.580 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.620 0.027 -5.386 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.275 0.634 -4.107 1.00 0.00 C ATOM 1611 C ILE A 106 -6.007 2.127 -4.260 1.00 0.00 C ATOM 1612 O ILE A 106 -5.176 2.538 -5.070 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.037 -0.037 -3.482 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.289 -1.532 -3.277 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.682 0.632 -2.162 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.927 -2.376 -4.480 1.00 0.00 C ATOM 0 H ILE A 106 -5.818 -0.247 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.130 0.487 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.195 0.080 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.714 -1.875 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.342 -1.686 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.805 0.147 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.465 1.686 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.521 0.543 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.131 -3.425 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.520 -2.060 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.868 -2.252 -4.706 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.716 2.933 -3.477 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.554 4.382 -3.526 1.00 0.00 C ATOM 1630 C GLN A 107 -6.073 4.921 -2.182 1.00 0.00 C ATOM 1631 O GLN A 107 -6.781 4.836 -1.178 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.873 5.051 -3.915 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.694 6.315 -4.740 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.014 6.932 -5.157 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.470 6.747 -6.286 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.637 7.670 -4.246 1.00 0.00 N ATOM 0 H GLN A 107 -7.408 2.608 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.802 4.613 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.478 4.341 -4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.429 5.294 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.123 7.043 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.108 6.084 -5.630 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.223 7.797 -3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.530 8.110 -4.470 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.866 5.476 -2.171 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.290 6.029 -0.951 1.00 0.00 C ATOM 1647 C LEU A 108 -4.654 7.502 -0.796 1.00 0.00 C ATOM 1648 O LEU A 108 -3.960 8.380 -1.308 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.769 5.866 -0.962 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.248 4.432 -1.069 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.734 4.423 -1.203 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.684 3.615 0.139 1.00 0.00 C ATOM 0 H LEU A 108 -4.268 5.555 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.702 5.481 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.368 6.440 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.370 6.309 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.674 3.977 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.381 3.394 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.445 4.972 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.288 4.896 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.305 2.597 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.288 4.069 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.773 3.593 0.190 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.746 7.766 -0.085 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.182 9.134 0.126 1.00 0.00 C ATOM 1666 C GLY A 109 -7.416 9.480 -0.682 1.00 0.00 C ATOM 1667 O GLY A 109 -8.030 8.608 -1.297 1.00 0.00 O ATOM 0 H GLY A 109 -6.337 7.057 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.390 9.286 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.374 9.815 -0.141 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.784 10.758 -0.681 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.954 11.218 -1.419 1.00 0.00 C ATOM 1673 C VAL A 110 -8.554 12.148 -2.558 1.00 0.00 C ATOM 1674 O VAL A 110 -7.495 12.776 -2.538 1.00 0.00 O ATOM 1675 CB VAL A 110 -9.947 11.950 -0.497 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.744 10.953 0.330 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.212 12.934 0.402 1.00 0.00 C ATOM 0 H VAL A 110 -7.288 11.493 -0.177 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.438 10.332 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.646 12.511 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.440 11.489 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.301 10.292 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.063 10.362 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.928 13.443 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.489 12.396 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.691 13.669 -0.212 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.420 12.241 -3.578 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.180 13.094 -4.746 1.00 0.00 C ATOM 1689 C PRO A 111 -9.268 14.578 -4.408 1.00 0.00 C ATOM 1690 O PRO A 111 -9.801 14.957 -3.364 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.300 12.698 -5.711 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.387 12.177 -4.836 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.701 11.521 -3.669 1.00 0.00 C ATOM 0 HA PRO A 111 -8.179 12.954 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.639 13.553 -6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.964 11.940 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.039 12.984 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.012 11.463 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.284 11.620 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.552 10.455 -3.838 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.742 15.414 -5.296 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.761 16.859 -5.092 1.00 0.00 C ATOM 1703 C LEU A 112 -10.010 17.479 -5.711 1.00 0.00 C ATOM 1704 O LEU A 112 -10.843 16.779 -6.284 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.508 17.496 -5.695 1.00 0.00 C ATOM 1706 CG LEU A 112 -6.222 17.349 -4.881 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -6.412 17.904 -3.478 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.790 15.891 -4.826 1.00 0.00 C ATOM 0 H LEU A 112 -8.297 15.117 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.776 17.050 -4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.342 17.061 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.701 18.558 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.436 17.922 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.486 17.791 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.674 18.960 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.212 17.359 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.873 15.805 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.575 15.296 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.612 15.526 -5.837 1.00 0.00 H new ATOM 1800 N ALA A 118 -8.273 10.121 -7.410 1.00 0.00 N ATOM 1801 CA ALA A 118 -7.038 10.337 -6.668 1.00 0.00 C ATOM 1802 C ALA A 118 -5.821 10.213 -7.579 1.00 0.00 C ATOM 1803 O ALA A 118 -5.787 9.366 -8.471 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.937 9.352 -5.512 1.00 0.00 C ATOM 0 HA ALA A 118 -7.057 11.350 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -6.009 9.525 -4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.784 9.491 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.945 8.333 -5.900 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.826 11.064 -7.348 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.608 11.049 -8.150 1.00 0.00 C ATOM 1812 C GLU A 119 -2.935 9.680 -8.093 1.00 0.00 C ATOM 1813 O GLU A 119 -2.538 9.129 -9.120 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.637 12.127 -7.663 1.00 0.00 C ATOM 1815 CG GLU A 119 -3.282 13.492 -7.489 1.00 0.00 C ATOM 1816 CD GLU A 119 -4.003 13.961 -8.738 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -3.319 14.397 -9.688 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -5.249 13.892 -8.765 1.00 0.00 O ATOM 0 H GLU A 119 -4.839 11.771 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.882 11.257 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.207 11.814 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.814 12.211 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.988 13.453 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.516 14.220 -7.221 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.811 9.139 -6.887 1.00 0.00 N ATOM 1826 CA TYR A 120 -2.184 7.837 -6.694 1.00 0.00 C ATOM 1827 C TYR A 120 -3.206 6.713 -6.838 1.00 0.00 C ATOM 1828 O TYR A 120 -4.192 6.659 -6.103 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.521 7.764 -5.318 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.696 8.985 -4.978 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.650 9.054 -5.316 1.00 0.00 C ATOM 1832 CD2 TYR A 120 -1.263 10.069 -4.319 1.00 0.00 C ATOM 1833 CE1 TYR A 120 1.408 10.167 -5.008 1.00 0.00 C ATOM 1834 CE2 TYR A 120 -0.513 11.187 -4.008 1.00 0.00 C ATOM 1835 CZ TYR A 120 0.822 11.231 -4.354 1.00 0.00 C ATOM 1836 OH TYR A 120 1.572 12.342 -4.044 1.00 0.00 O ATOM 0 H TYR A 120 -3.136 9.582 -6.028 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.422 7.713 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.292 7.634 -4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.882 6.882 -5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.112 8.223 -5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -2.307 10.037 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.453 10.204 -5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.969 12.022 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 120 1.008 13.000 -3.586 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.963 5.818 -7.791 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.862 4.696 -8.032 1.00 0.00 C ATOM 1848 C GLU A 121 -3.086 3.469 -8.501 1.00 0.00 C ATOM 1849 O GLU A 121 -2.139 3.580 -9.281 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.918 5.074 -9.072 1.00 0.00 C ATOM 1851 CG GLU A 121 -6.133 5.769 -8.481 1.00 0.00 C ATOM 1852 CD GLU A 121 -7.035 6.370 -9.542 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.529 6.696 -10.636 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -8.247 6.514 -9.277 1.00 0.00 O ATOM 0 H GLU A 121 -2.151 5.849 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.359 4.453 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.464 5.726 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.243 4.173 -9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.703 5.054 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.803 6.555 -7.802 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.493 2.299 -8.021 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.836 1.051 -8.389 1.00 0.00 C ATOM 1863 C TYR A 122 -3.861 -0.024 -8.735 1.00 0.00 C ATOM 1864 O TYR A 122 -5.066 0.225 -8.717 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.939 0.567 -7.248 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.084 1.659 -6.645 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.580 2.480 -5.639 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.218 1.870 -7.081 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.803 3.480 -5.085 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.002 2.866 -6.532 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.488 3.668 -5.535 1.00 0.00 C ATOM 1872 OH TYR A 122 1.265 4.662 -4.987 1.00 0.00 O ATOM 0 H TYR A 122 -4.275 2.189 -7.376 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.223 1.240 -9.270 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.562 0.132 -6.467 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.291 -0.227 -7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.590 2.334 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.624 1.245 -7.862 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.204 4.110 -4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.013 3.016 -6.882 1.00 0.00 H new ATOM 0 HH TYR A 122 2.147 4.660 -5.414 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.373 -1.220 -9.050 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.247 -2.333 -9.400 1.00 0.00 C ATOM 1884 C GLU A 123 -3.577 -3.669 -9.090 1.00 0.00 C ATOM 1885 O GLU A 123 -2.538 -4.002 -9.659 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.620 -2.270 -10.883 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.599 -3.351 -11.311 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.503 -3.672 -12.789 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -4.916 -2.862 -13.537 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.016 -4.734 -13.200 1.00 0.00 O ATOM 0 H GLU A 123 -2.378 -1.442 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.154 -2.252 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.053 -1.293 -11.099 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.713 -2.356 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.411 -4.256 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.614 -3.030 -11.078 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.181 -4.430 -8.183 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.645 -5.729 -7.796 1.00 0.00 C ATOM 1899 C VAL A 124 -3.562 -6.669 -8.994 1.00 0.00 C ATOM 1900 O VAL A 124 -4.583 -7.121 -9.514 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.504 -6.387 -6.700 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -3.856 -7.676 -6.215 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.722 -5.423 -5.544 1.00 0.00 C ATOM 0 H VAL A 124 -5.042 -4.169 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.643 -5.554 -7.405 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.477 -6.635 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.477 -8.127 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -3.756 -8.370 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -2.870 -7.456 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.331 -5.904 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.759 -5.142 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.233 -4.531 -5.906 1.00 0.00 H new ATOM 1913 N THR A 125 -2.340 -6.959 -9.429 1.00 0.00 N ATOM 1914 CA THR A 125 -2.123 -7.844 -10.566 1.00 0.00 C ATOM 1915 C THR A 125 -0.966 -8.801 -10.305 1.00 0.00 C ATOM 1916 O THR A 125 -0.004 -8.454 -9.622 1.00 0.00 O ATOM 1917 CB THR A 125 -1.835 -7.046 -11.852 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.645 -7.942 -12.952 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.600 -6.174 -11.682 1.00 0.00 C ATOM 0 H THR A 125 -1.485 -6.593 -9.010 1.00 0.00 H new ATOM 0 HA THR A 125 -3.041 -8.417 -10.701 1.00 0.00 H new ATOM 0 HB THR A 125 -2.691 -6.401 -12.053 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.464 -7.427 -13.766 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.416 -5.620 -12.603 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.759 -5.473 -10.862 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.262 -6.803 -11.459 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.066 -10.008 -10.855 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.026 -11.015 -10.681 1.00 0.00 C ATOM 1929 C GLU A 126 0.932 -11.019 -11.869 1.00 0.00 C ATOM 1930 O GLU A 126 0.551 -11.373 -12.984 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.651 -12.401 -10.511 1.00 0.00 C ATOM 1932 CG GLU A 126 0.236 -13.380 -9.761 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.533 -14.572 -9.225 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.757 -14.643 -9.463 1.00 0.00 O ATOM 1935 OE2 GLU A 126 0.088 -15.433 -8.568 1.00 0.00 O ATOM 0 H GLU A 126 -1.856 -10.311 -11.424 1.00 0.00 H new ATOM 0 HA GLU A 126 0.538 -10.766 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.598 -12.301 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.879 -12.811 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.026 -13.731 -10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.722 -12.864 -8.933 1.00 0.00 H new ATOM 1942 N GLU A 127 2.176 -10.622 -11.620 1.00 0.00 N ATOM 1943 CA GLU A 127 3.187 -10.578 -12.669 1.00 0.00 C ATOM 1944 C GLU A 127 4.521 -11.120 -12.162 1.00 0.00 C ATOM 1945 O GLU A 127 4.943 -10.815 -11.046 1.00 0.00 O ATOM 1946 CB GLU A 127 3.366 -9.146 -13.177 1.00 0.00 C ATOM 1947 CG GLU A 127 2.055 -8.434 -13.462 1.00 0.00 C ATOM 1948 CD GLU A 127 2.082 -7.661 -14.767 1.00 0.00 C ATOM 1949 OE1 GLU A 127 1.745 -8.254 -15.813 1.00 0.00 O ATOM 1950 OE2 GLU A 127 2.440 -6.465 -14.742 1.00 0.00 O ATOM 0 H GLU A 127 2.507 -10.327 -10.702 1.00 0.00 H new ATOM 0 HA GLU A 127 2.847 -11.207 -13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.927 -8.574 -12.438 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.965 -9.164 -14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.248 -9.166 -13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.832 -7.750 -12.643 1.00 0.00 H new ATOM 1957 N ASP A 128 5.179 -11.925 -12.989 1.00 0.00 N ATOM 1958 CA ASP A 128 6.465 -12.509 -12.625 1.00 0.00 C ATOM 1959 C ASP A 128 7.462 -11.424 -12.231 1.00 0.00 C ATOM 1960 O ASP A 128 7.350 -10.277 -12.664 1.00 0.00 O ATOM 1961 CB ASP A 128 7.021 -13.333 -13.787 1.00 0.00 C ATOM 1962 CG ASP A 128 6.170 -14.549 -14.094 1.00 0.00 C ATOM 1963 OD1 ASP A 128 5.074 -14.376 -14.666 1.00 0.00 O ATOM 1964 OD2 ASP A 128 6.600 -15.674 -13.762 1.00 0.00 O ATOM 0 H ASP A 128 4.843 -12.188 -13.916 1.00 0.00 H new ATOM 0 HA ASP A 128 6.310 -13.163 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.086 -12.705 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.035 -13.654 -13.549 1.00 0.00 H new ATOM 1969 N TRP A 129 8.436 -11.794 -11.407 1.00 0.00 N ATOM 1970 CA TRP A 129 9.453 -10.852 -10.953 1.00 0.00 C ATOM 1971 C TRP A 129 10.196 -10.242 -12.136 1.00 0.00 C ATOM 1972 O TRP A 129 10.614 -9.086 -12.087 1.00 0.00 O ATOM 1973 CB TRP A 129 10.442 -11.549 -10.018 1.00 0.00 C ATOM 1974 CG TRP A 129 11.702 -10.768 -9.797 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.927 -11.015 -10.350 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.861 -9.615 -8.964 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.837 -10.085 -9.909 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.208 -9.215 -9.059 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.996 -8.881 -8.148 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.708 -8.115 -8.368 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.494 -7.789 -7.462 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.839 -7.414 -7.576 1.00 0.00 C ATOM 0 H TRP A 129 8.543 -12.740 -11.040 1.00 0.00 H new ATOM 0 HA TRP A 129 8.954 -10.050 -10.409 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.959 -11.726 -9.057 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.696 -12.525 -10.432 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.147 -11.822 -11.033 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.822 -10.048 -10.172 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.957 -9.162 -8.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.745 -7.825 -8.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.835 -7.215 -6.827 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.197 -6.555 -7.028 1.00 0.00 H new ATOM 1993 N GLU A 130 10.356 -11.026 -13.197 1.00 0.00 N ATOM 1994 CA GLU A 130 11.050 -10.561 -14.392 1.00 0.00 C ATOM 1995 C GLU A 130 10.186 -9.576 -15.174 1.00 0.00 C ATOM 1996 O GLU A 130 10.639 -8.972 -16.148 1.00 0.00 O ATOM 1997 CB GLU A 130 11.427 -11.746 -15.284 1.00 0.00 C ATOM 1998 CG GLU A 130 12.044 -12.908 -14.525 1.00 0.00 C ATOM 1999 CD GLU A 130 13.297 -13.441 -15.191 1.00 0.00 C ATOM 2000 OE1 GLU A 130 13.169 -14.229 -16.151 1.00 0.00 O ATOM 2001 OE2 GLU A 130 14.406 -13.069 -14.754 1.00 0.00 O ATOM 0 H GLU A 130 10.015 -11.986 -13.254 1.00 0.00 H new ATOM 0 HA GLU A 130 11.959 -10.049 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.536 -12.096 -15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.129 -11.407 -16.046 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.284 -12.588 -13.511 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.312 -13.711 -14.441 1.00 0.00 H new ATOM 2008 N THR A 131 8.939 -9.419 -14.742 1.00 0.00 N ATOM 2009 CA THR A 131 8.011 -8.509 -15.401 1.00 0.00 C ATOM 2010 C THR A 131 7.906 -7.189 -14.647 1.00 0.00 C ATOM 2011 O THR A 131 7.710 -6.133 -15.250 1.00 0.00 O ATOM 2012 CB THR A 131 6.606 -9.131 -15.523 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.669 -10.334 -16.296 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.637 -8.154 -16.172 1.00 0.00 C ATOM 0 H THR A 131 8.548 -9.911 -13.938 1.00 0.00 H new ATOM 0 HA THR A 131 8.406 -8.323 -16.400 1.00 0.00 H new ATOM 0 HB THR A 131 6.246 -9.363 -14.521 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.773 -10.724 -16.368 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.652 -8.615 -16.248 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.570 -7.251 -15.565 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.994 -7.895 -17.169 1.00 0.00 H new ATOM 2022 N ILE A 132 8.038 -7.255 -13.327 1.00 0.00 N ATOM 2023 CA ILE A 132 7.960 -6.063 -12.491 1.00 0.00 C ATOM 2024 C ILE A 132 9.350 -5.525 -12.170 1.00 0.00 C ATOM 2025 O ILE A 132 9.500 -4.379 -11.744 1.00 0.00 O ATOM 2026 CB ILE A 132 7.215 -6.347 -11.174 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.873 -7.026 -11.457 1.00 0.00 C ATOM 2028 CG2 ILE A 132 7.007 -5.057 -10.394 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.335 -7.815 -10.284 1.00 0.00 C ATOM 0 H ILE A 132 8.199 -8.121 -12.813 1.00 0.00 H new ATOM 0 HA ILE A 132 7.406 -5.315 -13.058 1.00 0.00 H new ATOM 0 HB ILE A 132 7.822 -7.021 -10.569 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.143 -6.267 -11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.986 -7.693 -12.312 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.479 -5.274 -9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.975 -4.610 -10.165 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.418 -4.361 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.382 -8.268 -10.557 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.045 -8.597 -10.015 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.190 -7.149 -9.433 1.00 0.00 H new ATOM 2041 N TYR A 133 10.363 -6.357 -12.379 1.00 0.00 N ATOM 2042 CA TYR A 133 11.742 -5.966 -12.112 1.00 0.00 C ATOM 2043 C TYR A 133 12.097 -4.681 -12.854 1.00 0.00 C ATOM 2044 O TYR A 133 12.521 -3.688 -12.262 1.00 0.00 O ATOM 2045 CB TYR A 133 12.701 -7.085 -12.519 1.00 0.00 C ATOM 2046 CG TYR A 133 14.067 -6.591 -12.938 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.783 -5.708 -12.139 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.642 -7.006 -14.133 1.00 0.00 C ATOM 2049 CE1 TYR A 133 16.031 -5.253 -12.518 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.890 -6.557 -14.519 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.580 -5.681 -13.708 1.00 0.00 C ATOM 2052 OH TYR A 133 17.824 -5.230 -14.089 1.00 0.00 O ATOM 0 H TYR A 133 10.255 -7.308 -12.733 1.00 0.00 H new ATOM 0 HA TYR A 133 11.840 -5.785 -11.042 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.815 -7.776 -11.684 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.260 -7.649 -13.341 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.356 -5.372 -11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.104 -7.691 -14.771 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.574 -4.566 -11.886 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.323 -6.890 -15.451 1.00 0.00 H new ATOM 0 HH TYR A 133 18.066 -5.627 -14.951 1.00 0.00 H new ATOM 2062 N PRO A 134 11.920 -4.699 -14.184 1.00 0.00 N ATOM 2063 CA PRO A 134 12.214 -3.544 -15.037 1.00 0.00 C ATOM 2064 C PRO A 134 11.536 -2.271 -14.544 1.00 0.00 C ATOM 2065 O PRO A 134 12.170 -1.221 -14.433 1.00 0.00 O ATOM 2066 CB PRO A 134 11.651 -3.957 -16.399 1.00 0.00 C ATOM 2067 CG PRO A 134 11.696 -5.446 -16.392 1.00 0.00 C ATOM 2068 CD PRO A 134 11.418 -5.848 -14.956 1.00 0.00 C ATOM 0 HA PRO A 134 13.278 -3.310 -15.053 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.633 -3.592 -16.533 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.247 -3.547 -17.214 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.952 -5.865 -17.069 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.668 -5.812 -16.722 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.355 -6.016 -14.783 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.934 -6.770 -14.688 1.00 0.00 H new ATOM 2076 N CYS A 135 10.245 -2.371 -14.248 1.00 0.00 N ATOM 2077 CA CYS A 135 9.480 -1.226 -13.767 1.00 0.00 C ATOM 2078 C CYS A 135 9.092 -1.408 -12.303 1.00 0.00 C ATOM 2079 O CYS A 135 7.908 -1.438 -11.962 1.00 0.00 O ATOM 2080 CB CYS A 135 8.225 -1.029 -14.619 1.00 0.00 C ATOM 2081 SG CYS A 135 8.539 -0.998 -16.399 1.00 0.00 S ATOM 0 H CYS A 135 9.706 -3.233 -14.333 1.00 0.00 H new ATOM 0 HA CYS A 135 10.109 -0.340 -13.850 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.520 -1.831 -14.399 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.745 -0.094 -14.329 1.00 0.00 H new ATOM 0 HG CYS A 135 7.633 -0.275 -16.987 1.00 0.00 H new ATOM 2087 N LEU A 136 10.095 -1.532 -11.441 1.00 0.00 N ATOM 2088 CA LEU A 136 9.860 -1.713 -10.013 1.00 0.00 C ATOM 2089 C LEU A 136 9.608 -0.374 -9.328 1.00 0.00 C ATOM 2090 O LEU A 136 9.753 0.684 -9.940 1.00 0.00 O ATOM 2091 CB LEU A 136 11.054 -2.415 -9.364 1.00 0.00 C ATOM 2092 CG LEU A 136 10.813 -3.846 -8.885 1.00 0.00 C ATOM 2093 CD1 LEU A 136 12.047 -4.389 -8.182 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.604 -3.903 -7.963 1.00 0.00 C ATOM 0 H LEU A 136 11.080 -1.510 -11.706 1.00 0.00 H new ATOM 0 HA LEU A 136 8.972 -2.334 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.876 -2.427 -10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.381 -1.819 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 136 10.612 -4.471 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.856 -5.409 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.890 -4.385 -8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.280 -3.763 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.447 -4.929 -7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.777 -3.264 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.721 -3.556 -8.499 1.00 0.00 H new ATOM 2106 N SER A 137 9.233 -0.428 -8.054 1.00 0.00 N ATOM 2107 CA SER A 137 8.960 0.781 -7.286 1.00 0.00 C ATOM 2108 C SER A 137 10.148 1.140 -6.398 1.00 0.00 C ATOM 2109 O SER A 137 11.007 0.310 -6.101 1.00 0.00 O ATOM 2110 CB SER A 137 7.706 0.595 -6.430 1.00 0.00 C ATOM 2111 OG SER A 137 7.924 1.042 -5.103 1.00 0.00 O ATOM 0 H SER A 137 9.111 -1.296 -7.532 1.00 0.00 H new ATOM 0 HA SER A 137 8.793 1.598 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.876 1.146 -6.871 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.421 -0.457 -6.421 1.00 0.00 H new ATOM 0 HG SER A 137 7.773 0.301 -4.479 1.00 0.00 H new ATOM 2117 N PRO A 138 10.198 2.408 -5.963 1.00 0.00 N ATOM 2118 CA PRO A 138 11.274 2.908 -5.102 1.00 0.00 C ATOM 2119 C PRO A 138 11.209 2.324 -3.695 1.00 0.00 C ATOM 2120 O PRO A 138 10.485 2.827 -2.835 1.00 0.00 O ATOM 2121 CB PRO A 138 11.028 4.418 -5.066 1.00 0.00 C ATOM 2122 CG PRO A 138 9.572 4.571 -5.342 1.00 0.00 C ATOM 2123 CD PRO A 138 9.208 3.452 -6.277 1.00 0.00 C ATOM 0 HA PRO A 138 12.259 2.632 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.294 4.839 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.629 4.935 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.992 4.514 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.360 5.541 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.189 3.103 -6.108 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.270 3.764 -7.320 1.00 0.00 H new ATOM 2131 N LYS A 139 11.970 1.259 -3.465 1.00 0.00 N ATOM 2132 CA LYS A 139 12.001 0.607 -2.161 1.00 0.00 C ATOM 2133 C LYS A 139 12.782 1.444 -1.153 1.00 0.00 C ATOM 2134 O LYS A 139 13.969 1.713 -1.342 1.00 0.00 O ATOM 2135 CB LYS A 139 12.626 -0.784 -2.279 1.00 0.00 C ATOM 2136 CG LYS A 139 11.609 -1.893 -2.489 1.00 0.00 C ATOM 2137 CD LYS A 139 12.237 -3.266 -2.317 1.00 0.00 C ATOM 2138 CE LYS A 139 12.155 -3.739 -0.874 1.00 0.00 C ATOM 2139 NZ LYS A 139 12.416 -5.201 -0.754 1.00 0.00 N ATOM 0 H LYS A 139 12.574 0.829 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 139 10.975 0.508 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.331 -0.787 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.198 -0.994 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.790 -1.775 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.181 -1.811 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.732 -3.982 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.280 -3.232 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 139 12.878 -3.190 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.167 -3.512 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.351 -5.484 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 11.711 -5.726 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 13.368 -5.414 -1.113 1.00 0.00 H new ATOM 2153 N SER A 140 12.110 1.851 -0.081 1.00 0.00 N ATOM 2154 CA SER A 140 12.741 2.659 0.956 1.00 0.00 C ATOM 2155 C SER A 140 13.282 1.777 2.077 1.00 0.00 C ATOM 2156 O SER A 140 14.215 2.155 2.785 1.00 0.00 O ATOM 2157 CB SER A 140 11.742 3.669 1.524 1.00 0.00 C ATOM 2158 OG SER A 140 12.073 4.020 2.856 1.00 0.00 O ATOM 0 H SER A 140 11.128 1.634 0.092 1.00 0.00 H new ATOM 0 HA SER A 140 13.575 3.197 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.731 4.563 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 140 10.737 3.247 1.495 1.00 0.00 H new ATOM 0 HG SER A 140 11.535 3.488 3.478 1.00 0.00 H new