USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=30 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= -1.36 K(o=-1.3,f=-3.2!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0.0133 USER MOD Set 2.1: A 63 HIS : no HD1:sc= -0.495 K(o=-0.96,f=-4.4!) USER MOD Set 2.2: A 83 ASN : amide:sc= -0.469 K(o=-0.96,f=-3.6) USER MOD Set 3.1: A 39 THR OG1 : rot -150:sc= -0.351 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 34:sc= 0.0367 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.232 USER MOD Single : A 25 MET CE :methyl 165:sc= -0.329 (180deg=-0.685) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 171:sc= 0.969 USER MOD Single : A 48 TYR OH : rot 165:sc= 0.0654 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 52 SER OG : rot 180:sc= 0.166 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -122:sc= -4.09! (180deg=-5.87!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.1!) USER MOD Single : A 64 CYS SG : rot 160:sc= -0.69 USER MOD Single : A 67 LYS NZ :NH3+ 136:sc= -0.204 (180deg=-1.25) USER MOD Single : A 68 GLN : amide:sc= -1.05 K(o=-1,f=-7.9!) USER MOD Single : A 69 ASN : amide:sc= -1.69! C(o=-1.7!,f=-9.6!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.276 USER MOD Single : A 77 MET CE :methyl -165:sc= -0.209 (180deg=-0.998) USER MOD Single : A 79 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.96) USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.607) USER MOD Single : A 81 SER OG : rot 180:sc= -0.059 USER MOD Single : A 88 ASN : amide:sc= -0.316 K(o=-0.32,f=-8.2!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 105 TYR OH : rot 165:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 120 TYR OH : rot 174:sc= -0.356 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 180:sc= 0 USER MOD Single : A 137 SER OG : rot -125:sc= 0.602 USER MOD Single : A 139 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.164) USER MOD Single : A 140 SER OG : rot -112:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.501 -18.244 -10.898 1.00 0.00 N ATOM 157 CA GLY A 15 7.091 -18.199 -10.561 1.00 0.00 C ATOM 158 C GLY A 15 6.509 -16.805 -10.687 1.00 0.00 C ATOM 159 O GLY A 15 7.185 -15.882 -11.143 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.543 -18.879 -11.213 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.953 -18.556 -9.540 1.00 0.00 H new ATOM 163 N ARG A 16 5.252 -16.651 -10.283 1.00 0.00 N ATOM 164 CA ARG A 16 4.580 -15.359 -10.355 1.00 0.00 C ATOM 165 C ARG A 16 4.721 -14.598 -9.040 1.00 0.00 C ATOM 166 O ARG A 16 5.019 -15.185 -8.000 1.00 0.00 O ATOM 167 CB ARG A 16 3.099 -15.550 -10.690 1.00 0.00 C ATOM 168 CG ARG A 16 2.802 -15.516 -12.180 1.00 0.00 C ATOM 169 CD ARG A 16 2.871 -16.906 -12.793 1.00 0.00 C ATOM 170 NE ARG A 16 3.226 -16.862 -14.209 1.00 0.00 N ATOM 171 CZ ARG A 16 3.695 -17.908 -14.882 1.00 0.00 C ATOM 172 NH1 ARG A 16 3.863 -19.072 -14.271 1.00 0.00 N ATOM 173 NH2 ARG A 16 3.995 -17.789 -16.169 1.00 0.00 N ATOM 0 H ARG A 16 4.679 -17.404 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 16 5.053 -14.775 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.763 -16.504 -10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.520 -14.771 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.811 -15.093 -12.345 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.516 -14.861 -12.680 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.605 -17.504 -12.253 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.908 -17.402 -12.676 1.00 0.00 H new ATOM 0 HE ARG A 16 3.108 -15.981 -14.709 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.632 -19.167 -13.282 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.223 -19.873 -14.790 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.866 -16.895 -16.642 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.355 -18.592 -16.685 1.00 0.00 H new ATOM 187 N SER A 17 4.505 -13.288 -9.095 1.00 0.00 N ATOM 188 CA SER A 17 4.613 -12.445 -7.909 1.00 0.00 C ATOM 189 C SER A 17 3.664 -11.254 -8.002 1.00 0.00 C ATOM 190 O SER A 17 3.878 -10.337 -8.795 1.00 0.00 O ATOM 191 CB SER A 17 6.051 -11.954 -7.736 1.00 0.00 C ATOM 192 OG SER A 17 6.778 -12.804 -6.865 1.00 0.00 O ATOM 0 H SER A 17 4.254 -12.787 -9.947 1.00 0.00 H new ATOM 0 HA SER A 17 4.334 -13.043 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.545 -11.915 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.047 -10.939 -7.339 1.00 0.00 H new ATOM 0 HG SER A 17 6.468 -13.727 -6.975 1.00 0.00 H new ATOM 198 N TRP A 18 2.617 -11.275 -7.185 1.00 0.00 N ATOM 199 CA TRP A 18 1.635 -10.197 -7.174 1.00 0.00 C ATOM 200 C TRP A 18 2.315 -8.843 -7.001 1.00 0.00 C ATOM 201 O TRP A 18 3.505 -8.771 -6.694 1.00 0.00 O ATOM 202 CB TRP A 18 0.617 -10.418 -6.054 1.00 0.00 C ATOM 203 CG TRP A 18 -0.240 -11.629 -6.261 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.119 -12.932 -6.062 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.600 -11.650 -6.709 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.935 -13.761 -6.360 1.00 0.00 N ATOM 207 CE2 TRP A 18 -2.002 -13.000 -6.758 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.518 -10.661 -7.071 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.280 -13.382 -7.156 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.786 -11.042 -7.466 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.158 -12.392 -7.505 1.00 0.00 C ATOM 0 H TRP A 18 2.426 -12.026 -6.522 1.00 0.00 H new ATOM 0 HA TRP A 18 1.116 -10.202 -8.133 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.146 -10.514 -5.106 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.022 -9.539 -5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.089 -13.262 -5.721 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.925 -14.779 -6.295 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.241 -9.617 -7.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.568 -14.422 -7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.503 -10.286 -7.750 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.158 -12.657 -7.817 1.00 0.00 H new ATOM 222 N CYS A 19 1.552 -7.774 -7.198 1.00 0.00 N ATOM 223 CA CYS A 19 2.082 -6.421 -7.064 1.00 0.00 C ATOM 224 C CYS A 19 0.969 -5.386 -7.190 1.00 0.00 C ATOM 225 O CYS A 19 -0.210 -5.733 -7.269 1.00 0.00 O ATOM 226 CB CYS A 19 3.156 -6.165 -8.122 1.00 0.00 C ATOM 227 SG CYS A 19 2.510 -5.979 -9.800 1.00 0.00 S ATOM 0 H CYS A 19 0.565 -7.817 -7.451 1.00 0.00 H new ATOM 0 HA CYS A 19 2.528 -6.328 -6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.707 -5.263 -7.854 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.869 -6.990 -8.108 1.00 0.00 H new ATOM 0 HG CYS A 19 3.456 -5.557 -10.585 1.00 0.00 H new ATOM 233 N LEU A 20 1.351 -4.114 -7.207 1.00 0.00 N ATOM 234 CA LEU A 20 0.385 -3.027 -7.322 1.00 0.00 C ATOM 235 C LEU A 20 0.659 -2.184 -8.564 1.00 0.00 C ATOM 236 O LEU A 20 1.134 -1.053 -8.466 1.00 0.00 O ATOM 237 CB LEU A 20 0.430 -2.144 -6.073 1.00 0.00 C ATOM 238 CG LEU A 20 0.002 -2.810 -4.765 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.047 -1.813 -3.618 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.392 -3.406 -4.901 1.00 0.00 C ATOM 0 H LEU A 20 2.322 -3.810 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.609 -3.465 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.447 -1.772 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.209 -1.277 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 20 0.701 -3.617 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.261 -2.305 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.063 -1.434 -3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.628 -0.984 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.680 -3.876 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.103 -2.617 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.392 -4.153 -5.695 1.00 0.00 H new ATOM 252 N ARG A 21 0.353 -2.742 -9.730 1.00 0.00 N ATOM 253 CA ARG A 21 0.565 -2.042 -10.991 1.00 0.00 C ATOM 254 C ARG A 21 -0.071 -0.655 -10.957 1.00 0.00 C ATOM 255 O ARG A 21 -1.292 -0.519 -11.030 1.00 0.00 O ATOM 256 CB ARG A 21 -0.015 -2.852 -12.153 1.00 0.00 C ATOM 257 CG ARG A 21 0.775 -2.717 -13.444 1.00 0.00 C ATOM 258 CD ARG A 21 -0.021 -3.216 -14.639 1.00 0.00 C ATOM 259 NE ARG A 21 -1.151 -2.343 -14.948 1.00 0.00 N ATOM 260 CZ ARG A 21 -1.879 -2.447 -16.054 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.597 -3.381 -16.952 1.00 0.00 N ATOM 262 NH2 ARG A 21 -2.892 -1.615 -16.263 1.00 0.00 N ATOM 0 H ARG A 21 -0.043 -3.677 -9.828 1.00 0.00 H new ATOM 0 HA ARG A 21 1.639 -1.927 -11.137 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.053 -3.904 -11.868 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.042 -2.533 -12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.048 -1.673 -13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.705 -3.281 -13.364 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.634 -3.283 -15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.386 -4.223 -14.437 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.394 -1.614 -14.278 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.819 -4.022 -16.794 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.158 -3.459 -17.800 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.111 -0.896 -15.574 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.451 -1.695 -17.113 1.00 0.00 H new ATOM 276 N ARG A 22 0.766 0.371 -10.844 1.00 0.00 N ATOM 277 CA ARG A 22 0.286 1.747 -10.798 1.00 0.00 C ATOM 278 C ARG A 22 -0.579 2.062 -12.014 1.00 0.00 C ATOM 279 O ARG A 22 -0.146 1.901 -13.155 1.00 0.00 O ATOM 280 CB ARG A 22 1.466 2.719 -10.732 1.00 0.00 C ATOM 281 CG ARG A 22 1.067 4.136 -10.353 1.00 0.00 C ATOM 282 CD ARG A 22 1.711 4.565 -9.044 1.00 0.00 C ATOM 283 NE ARG A 22 1.649 6.011 -8.851 1.00 0.00 N ATOM 284 CZ ARG A 22 2.440 6.676 -8.017 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.350 6.028 -7.303 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.323 7.992 -7.897 1.00 0.00 N ATOM 0 H ARG A 22 1.780 0.276 -10.783 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.323 1.863 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.191 2.349 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.965 2.738 -11.701 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.361 4.823 -11.147 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.018 4.198 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.211 4.067 -8.214 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.752 4.242 -9.029 1.00 0.00 H new ATOM 0 HE ARG A 22 0.960 6.539 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.444 5.016 -7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.956 6.541 -6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.625 8.494 -8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.931 8.502 -7.256 1.00 0.00 H new ATOM 300 N VAL A 23 -1.804 2.511 -11.762 1.00 0.00 N ATOM 301 CA VAL A 23 -2.731 2.849 -12.836 1.00 0.00 C ATOM 302 C VAL A 23 -2.310 4.134 -13.541 1.00 0.00 C ATOM 303 O VAL A 23 -2.079 5.159 -12.900 1.00 0.00 O ATOM 304 CB VAL A 23 -4.168 3.015 -12.306 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.113 3.393 -13.436 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.631 1.740 -11.617 1.00 0.00 C ATOM 0 H VAL A 23 -2.178 2.649 -10.823 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.707 2.023 -13.547 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.176 3.821 -11.573 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.123 3.506 -13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.790 4.334 -13.881 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.104 2.610 -14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.648 1.874 -11.248 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.609 0.914 -12.328 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.968 1.517 -10.781 1.00 0.00 H new ATOM 316 N GLY A 24 -2.211 4.071 -14.865 1.00 0.00 N ATOM 317 CA GLY A 24 -1.818 5.236 -15.636 1.00 0.00 C ATOM 318 C GLY A 24 -0.326 5.282 -15.897 1.00 0.00 C ATOM 319 O GLY A 24 0.116 5.808 -16.918 1.00 0.00 O ATOM 0 H GLY A 24 -2.396 3.234 -15.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.350 5.235 -16.587 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.119 6.138 -15.104 1.00 0.00 H new ATOM 323 N MET A 25 0.452 4.731 -14.972 1.00 0.00 N ATOM 324 CA MET A 25 1.904 4.712 -15.107 1.00 0.00 C ATOM 325 C MET A 25 2.413 3.288 -15.307 1.00 0.00 C ATOM 326 O MET A 25 1.893 2.344 -14.711 1.00 0.00 O ATOM 327 CB MET A 25 2.561 5.332 -13.872 1.00 0.00 C ATOM 328 CG MET A 25 2.828 6.822 -14.010 1.00 0.00 C ATOM 329 SD MET A 25 2.920 7.662 -12.417 1.00 0.00 S ATOM 330 CE MET A 25 3.935 6.515 -11.489 1.00 0.00 C ATOM 0 H MET A 25 0.102 4.292 -14.121 1.00 0.00 H new ATOM 0 HA MET A 25 2.170 5.301 -15.985 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.920 5.165 -13.007 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.502 4.819 -13.675 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.763 6.971 -14.549 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.038 7.275 -14.610 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.303 7.003 -10.587 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.341 5.644 -11.213 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.780 6.199 -12.101 1.00 0.00 H new ATOM 340 N SER A 26 3.432 3.140 -16.148 1.00 0.00 N ATOM 341 CA SER A 26 4.008 1.830 -16.429 1.00 0.00 C ATOM 342 C SER A 26 5.174 1.537 -15.489 1.00 0.00 C ATOM 343 O SER A 26 5.957 0.617 -15.723 1.00 0.00 O ATOM 344 CB SER A 26 4.478 1.758 -17.882 1.00 0.00 C ATOM 345 OG SER A 26 3.377 1.743 -18.775 1.00 0.00 O ATOM 0 H SER A 26 3.876 3.911 -16.647 1.00 0.00 H new ATOM 0 HA SER A 26 3.236 1.078 -16.267 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.118 2.612 -18.103 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.081 0.862 -18.028 1.00 0.00 H new ATOM 0 HG SER A 26 3.705 1.698 -19.698 1.00 0.00 H new ATOM 351 N ALA A 27 5.282 2.327 -14.426 1.00 0.00 N ATOM 352 CA ALA A 27 6.350 2.151 -13.450 1.00 0.00 C ATOM 353 C ALA A 27 5.814 2.247 -12.026 1.00 0.00 C ATOM 354 O ALA A 27 4.604 2.312 -11.811 1.00 0.00 O ATOM 355 CB ALA A 27 7.445 3.184 -13.674 1.00 0.00 C ATOM 0 H ALA A 27 4.643 3.095 -14.219 1.00 0.00 H new ATOM 0 HA ALA A 27 6.771 1.155 -13.585 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.236 3.041 -12.938 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.856 3.067 -14.677 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.028 4.185 -13.568 1.00 0.00 H new ATOM 361 N GLY A 28 6.722 2.256 -11.055 1.00 0.00 N ATOM 362 CA GLY A 28 6.320 2.343 -9.663 1.00 0.00 C ATOM 363 C GLY A 28 5.471 1.164 -9.230 1.00 0.00 C ATOM 364 O GLY A 28 4.556 1.315 -8.420 1.00 0.00 O ATOM 0 H GLY A 28 7.729 2.205 -11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.209 2.397 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.762 3.266 -9.506 1.00 0.00 H new ATOM 368 N TRP A 29 5.772 -0.010 -9.772 1.00 0.00 N ATOM 369 CA TRP A 29 5.027 -1.219 -9.437 1.00 0.00 C ATOM 370 C TRP A 29 5.485 -1.788 -8.099 1.00 0.00 C ATOM 371 O TRP A 29 6.593 -2.312 -7.982 1.00 0.00 O ATOM 372 CB TRP A 29 5.198 -2.269 -10.537 1.00 0.00 C ATOM 373 CG TRP A 29 4.581 -1.867 -11.842 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.994 -0.670 -12.138 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.489 -2.665 -13.028 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.542 -0.676 -13.435 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.834 -1.888 -14.003 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.897 -3.959 -13.361 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.579 -2.364 -15.286 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.643 -4.431 -14.634 1.00 0.00 C ATOM 381 CH2 TRP A 29 3.989 -3.635 -15.585 1.00 0.00 C ATOM 0 H TRP A 29 6.526 -0.151 -10.445 1.00 0.00 H new ATOM 0 HA TRP A 29 3.972 -0.955 -9.356 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.261 -2.457 -10.688 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.753 -3.207 -10.206 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.899 0.159 -11.453 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.066 0.097 -13.900 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.402 -4.579 -12.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.075 -1.752 -16.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.953 -5.430 -14.901 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.805 -4.032 -16.572 1.00 0.00 H new ATOM 392 N LEU A 30 4.626 -1.681 -7.091 1.00 0.00 N ATOM 393 CA LEU A 30 4.943 -2.186 -5.759 1.00 0.00 C ATOM 394 C LEU A 30 4.855 -3.708 -5.719 1.00 0.00 C ATOM 395 O LEU A 30 3.767 -4.280 -5.793 1.00 0.00 O ATOM 396 CB LEU A 30 3.993 -1.581 -4.724 1.00 0.00 C ATOM 397 CG LEU A 30 3.684 -0.092 -4.886 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.577 0.330 -3.932 1.00 0.00 C ATOM 399 CD2 LEU A 30 4.936 0.741 -4.655 1.00 0.00 C ATOM 0 H LEU A 30 3.705 -1.249 -7.170 1.00 0.00 H new ATOM 0 HA LEU A 30 5.965 -1.893 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.053 -2.132 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.420 -1.737 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 30 3.341 0.079 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.371 1.392 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.675 -0.243 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.891 0.144 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.697 1.798 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.309 0.565 -3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.700 0.458 -5.379 1.00 0.00 H new ATOM 411 N LEU A 31 6.007 -4.359 -5.598 1.00 0.00 N ATOM 412 CA LEU A 31 6.061 -5.816 -5.545 1.00 0.00 C ATOM 413 C LEU A 31 5.402 -6.339 -4.272 1.00 0.00 C ATOM 414 O LEU A 31 5.587 -5.781 -3.190 1.00 0.00 O ATOM 415 CB LEU A 31 7.512 -6.295 -5.616 1.00 0.00 C ATOM 416 CG LEU A 31 7.734 -7.793 -5.405 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.318 -8.574 -6.642 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.190 -8.072 -5.061 1.00 0.00 C ATOM 0 H LEU A 31 6.916 -3.901 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 31 5.514 -6.207 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.917 -6.022 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.090 -5.753 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 31 7.114 -8.119 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.483 -9.638 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.262 -8.399 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.911 -8.246 -7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.330 -9.143 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.828 -7.731 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.456 -7.542 -4.146 1.00 0.00 H new ATOM 430 N LEU A 32 4.634 -7.414 -4.409 1.00 0.00 N ATOM 431 CA LEU A 32 3.949 -8.015 -3.270 1.00 0.00 C ATOM 432 C LEU A 32 4.481 -9.417 -2.992 1.00 0.00 C ATOM 433 O LEU A 32 3.794 -10.410 -3.228 1.00 0.00 O ATOM 434 CB LEU A 32 2.442 -8.071 -3.527 1.00 0.00 C ATOM 435 CG LEU A 32 1.702 -6.733 -3.475 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.281 -6.889 -3.994 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.697 -6.182 -2.057 1.00 0.00 C ATOM 0 H LEU A 32 4.470 -7.887 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 32 4.139 -7.394 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.277 -8.517 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.993 -8.740 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 32 2.225 -6.024 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.230 -5.927 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.307 -7.239 -5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.254 -7.613 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.167 -5.230 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.198 -6.889 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.723 -6.032 -1.721 1.00 0.00 H new ATOM 449 N GLU A 33 5.709 -9.489 -2.487 1.00 0.00 N ATOM 450 CA GLU A 33 6.332 -10.770 -2.176 1.00 0.00 C ATOM 451 C GLU A 33 5.491 -11.555 -1.173 1.00 0.00 C ATOM 452 O GLU A 33 5.012 -11.003 -0.182 1.00 0.00 O ATOM 453 CB GLU A 33 7.741 -10.556 -1.619 1.00 0.00 C ATOM 454 CG GLU A 33 8.843 -11.030 -2.551 1.00 0.00 C ATOM 455 CD GLU A 33 10.229 -10.703 -2.030 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.328 -10.162 -0.909 1.00 0.00 O ATOM 457 OE2 GLU A 33 11.214 -10.989 -2.742 1.00 0.00 O ATOM 0 H GLU A 33 6.291 -8.676 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 33 6.398 -11.346 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.883 -9.495 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.830 -11.081 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.757 -12.107 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.709 -10.569 -3.530 1.00 0.00 H new ATOM 464 N ASP A 34 5.315 -12.845 -1.439 1.00 0.00 N ATOM 465 CA ASP A 34 4.532 -13.707 -0.561 1.00 0.00 C ATOM 466 C ASP A 34 5.187 -13.821 0.813 1.00 0.00 C ATOM 467 O ASP A 34 6.314 -14.297 0.937 1.00 0.00 O ATOM 468 CB ASP A 34 4.375 -15.095 -1.181 1.00 0.00 C ATOM 469 CG ASP A 34 3.876 -16.122 -0.184 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.687 -16.588 0.644 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.675 -16.460 -0.231 1.00 0.00 O ATOM 0 H ASP A 34 5.704 -13.317 -2.256 1.00 0.00 H new ATOM 0 HA ASP A 34 3.546 -13.259 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.680 -15.039 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.334 -15.420 -1.584 1.00 0.00 H new ATOM 476 N GLY A 35 4.471 -13.379 1.843 1.00 0.00 N ATOM 477 CA GLY A 35 4.999 -13.440 3.193 1.00 0.00 C ATOM 478 C GLY A 35 5.881 -12.253 3.524 1.00 0.00 C ATOM 479 O GLY A 35 6.665 -12.299 4.473 1.00 0.00 O ATOM 0 H GLY A 35 3.535 -12.980 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.172 -13.483 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.572 -14.359 3.315 1.00 0.00 H new ATOM 483 N CYS A 36 5.757 -11.188 2.740 1.00 0.00 N ATOM 484 CA CYS A 36 6.552 -9.984 2.953 1.00 0.00 C ATOM 485 C CYS A 36 5.654 -8.766 3.145 1.00 0.00 C ATOM 486 O CYS A 36 4.877 -8.411 2.259 1.00 0.00 O ATOM 487 CB CYS A 36 7.496 -9.756 1.772 1.00 0.00 C ATOM 488 SG CYS A 36 9.074 -10.629 1.909 1.00 0.00 S ATOM 0 H CYS A 36 5.113 -11.134 1.951 1.00 0.00 H new ATOM 0 HA CYS A 36 7.142 -10.123 3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.997 -10.071 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.691 -8.688 1.677 1.00 0.00 H new ATOM 0 HG CYS A 36 9.726 -10.526 0.789 1.00 0.00 H new ATOM 494 N GLU A 37 5.766 -8.131 4.307 1.00 0.00 N ATOM 495 CA GLU A 37 4.962 -6.954 4.615 1.00 0.00 C ATOM 496 C GLU A 37 5.312 -5.797 3.684 1.00 0.00 C ATOM 497 O GLU A 37 6.484 -5.481 3.482 1.00 0.00 O ATOM 498 CB GLU A 37 5.172 -6.533 6.071 1.00 0.00 C ATOM 499 CG GLU A 37 3.903 -6.050 6.754 1.00 0.00 C ATOM 500 CD GLU A 37 4.179 -5.036 7.847 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.157 -4.271 7.713 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.417 -5.007 8.836 1.00 0.00 O ATOM 0 H GLU A 37 6.405 -8.412 5.051 1.00 0.00 H new ATOM 0 HA GLU A 37 3.914 -7.213 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.577 -7.377 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.919 -5.740 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.241 -5.606 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.377 -6.904 7.180 1.00 0.00 H new ATOM 509 N VAL A 38 4.286 -5.170 3.118 1.00 0.00 N ATOM 510 CA VAL A 38 4.483 -4.048 2.208 1.00 0.00 C ATOM 511 C VAL A 38 3.815 -2.785 2.739 1.00 0.00 C ATOM 512 O VAL A 38 2.655 -2.507 2.434 1.00 0.00 O ATOM 513 CB VAL A 38 3.926 -4.359 0.805 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.244 -3.225 -0.158 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.483 -5.678 0.292 1.00 0.00 C ATOM 0 H VAL A 38 3.309 -5.420 3.274 1.00 0.00 H new ATOM 0 HA VAL A 38 5.558 -3.884 2.136 1.00 0.00 H new ATOM 0 HB VAL A 38 2.842 -4.452 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.843 -3.462 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.793 -2.302 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.324 -3.098 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.079 -5.882 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.570 -5.617 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.199 -6.482 0.972 1.00 0.00 H new ATOM 525 N THR A 39 4.555 -2.022 3.537 1.00 0.00 N ATOM 526 CA THR A 39 4.035 -0.788 4.113 1.00 0.00 C ATOM 527 C THR A 39 4.329 0.406 3.212 1.00 0.00 C ATOM 528 O THR A 39 5.486 0.699 2.911 1.00 0.00 O ATOM 529 CB THR A 39 4.632 -0.523 5.508 1.00 0.00 C ATOM 530 OG1 THR A 39 6.028 -0.223 5.394 1.00 0.00 O ATOM 531 CG2 THR A 39 4.440 -1.728 6.416 1.00 0.00 C ATOM 0 H THR A 39 5.517 -2.237 3.799 1.00 0.00 H new ATOM 0 HA THR A 39 2.956 -0.913 4.206 1.00 0.00 H new ATOM 0 HB THR A 39 4.112 0.329 5.946 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.493 -0.516 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.869 -1.518 7.395 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.376 -1.937 6.524 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.937 -2.595 5.980 1.00 0.00 H new ATOM 539 N VAL A 40 3.275 1.093 2.784 1.00 0.00 N ATOM 540 CA VAL A 40 3.420 2.257 1.918 1.00 0.00 C ATOM 541 C VAL A 40 3.086 3.543 2.666 1.00 0.00 C ATOM 542 O VAL A 40 2.261 3.546 3.578 1.00 0.00 O ATOM 543 CB VAL A 40 2.517 2.149 0.676 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.825 3.268 -0.307 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.681 0.788 0.015 1.00 0.00 C ATOM 0 H VAL A 40 2.310 0.863 3.023 1.00 0.00 H new ATOM 0 HA VAL A 40 4.462 2.286 1.598 1.00 0.00 H new ATOM 0 HB VAL A 40 1.479 2.251 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.177 3.175 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.652 4.231 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.867 3.200 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.035 0.729 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.719 0.654 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.406 0.005 0.722 1.00 0.00 H new ATOM 555 N GLY A 41 3.733 4.635 2.272 1.00 0.00 N ATOM 556 CA GLY A 41 3.491 5.914 2.915 1.00 0.00 C ATOM 557 C GLY A 41 4.586 6.922 2.631 1.00 0.00 C ATOM 558 O GLY A 41 5.359 6.760 1.686 1.00 0.00 O ATOM 0 H GLY A 41 4.421 4.657 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.536 6.314 2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.408 5.766 3.992 1.00 0.00 H new ATOM 562 N ARG A 42 4.653 7.967 3.450 1.00 0.00 N ATOM 563 CA ARG A 42 5.660 9.007 3.280 1.00 0.00 C ATOM 564 C ARG A 42 6.659 8.991 4.434 1.00 0.00 C ATOM 565 O ARG A 42 7.096 10.039 4.905 1.00 0.00 O ATOM 566 CB ARG A 42 4.994 10.382 3.189 1.00 0.00 C ATOM 567 CG ARG A 42 4.268 10.793 4.459 1.00 0.00 C ATOM 568 CD ARG A 42 4.038 12.295 4.508 1.00 0.00 C ATOM 569 NE ARG A 42 5.144 12.997 5.155 1.00 0.00 N ATOM 570 CZ ARG A 42 5.309 14.314 5.104 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.443 15.068 4.441 1.00 0.00 N ATOM 572 NH2 ARG A 42 6.340 14.879 5.719 1.00 0.00 N ATOM 0 H ARG A 42 4.022 8.115 4.237 1.00 0.00 H new ATOM 0 HA ARG A 42 6.198 8.808 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.753 11.129 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.286 10.379 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.311 10.275 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.849 10.484 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.910 12.676 3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.113 12.503 5.045 1.00 0.00 H new ATOM 0 HE ARG A 42 5.827 12.445 5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.648 14.637 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.572 16.079 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.007 14.302 6.232 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.466 15.890 5.679 1.00 0.00 H new ATOM 586 N GLY A 43 7.014 7.791 4.885 1.00 0.00 N ATOM 587 CA GLY A 43 7.958 7.660 5.979 1.00 0.00 C ATOM 588 C GLY A 43 9.302 7.126 5.526 1.00 0.00 C ATOM 589 O GLY A 43 9.502 6.854 4.342 1.00 0.00 O ATOM 0 H GLY A 43 6.665 6.908 4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.098 8.632 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.542 6.994 6.735 1.00 0.00 H new ATOM 593 N PHE A 44 10.226 6.977 6.469 1.00 0.00 N ATOM 594 CA PHE A 44 11.560 6.474 6.159 1.00 0.00 C ATOM 595 C PHE A 44 11.671 4.988 6.487 1.00 0.00 C ATOM 596 O PHE A 44 12.473 4.268 5.894 1.00 0.00 O ATOM 597 CB PHE A 44 12.618 7.260 6.937 1.00 0.00 C ATOM 598 CG PHE A 44 12.672 8.716 6.570 1.00 0.00 C ATOM 599 CD1 PHE A 44 11.860 9.636 7.212 1.00 0.00 C ATOM 600 CD2 PHE A 44 13.537 9.163 5.584 1.00 0.00 C ATOM 601 CE1 PHE A 44 11.908 10.976 6.876 1.00 0.00 C ATOM 602 CE2 PHE A 44 13.589 10.502 5.244 1.00 0.00 C ATOM 603 CZ PHE A 44 12.775 11.410 5.892 1.00 0.00 C ATOM 0 H PHE A 44 10.076 7.197 7.454 1.00 0.00 H new ATOM 0 HA PHE A 44 11.732 6.606 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.415 7.170 8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.596 6.812 6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.182 9.303 7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.178 8.458 5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.268 11.683 7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.266 10.838 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 44 12.816 12.457 5.630 1.00 0.00 H new ATOM 613 N GLY A 45 10.859 4.536 7.439 1.00 0.00 N ATOM 614 CA GLY A 45 10.882 3.139 7.831 1.00 0.00 C ATOM 615 C GLY A 45 10.057 2.264 6.908 1.00 0.00 C ATOM 616 O GLY A 45 10.333 1.074 6.758 1.00 0.00 O ATOM 0 H GLY A 45 10.186 5.112 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.912 2.784 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.505 3.044 8.849 1.00 0.00 H new ATOM 620 N VAL A 46 9.039 2.855 6.289 1.00 0.00 N ATOM 621 CA VAL A 46 8.170 2.121 5.376 1.00 0.00 C ATOM 622 C VAL A 46 8.979 1.432 4.283 1.00 0.00 C ATOM 623 O VAL A 46 10.151 1.745 4.070 1.00 0.00 O ATOM 624 CB VAL A 46 7.131 3.051 4.722 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.163 3.588 5.765 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.823 4.190 3.988 1.00 0.00 C ATOM 0 H VAL A 46 8.796 3.839 6.403 1.00 0.00 H new ATOM 0 HA VAL A 46 7.651 1.368 5.969 1.00 0.00 H new ATOM 0 HB VAL A 46 6.560 2.474 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.437 4.243 5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.643 2.757 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.715 4.150 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.074 4.837 3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.421 4.768 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.471 3.782 3.212 1.00 0.00 H new ATOM 636 N THR A 47 8.345 0.490 3.590 1.00 0.00 N ATOM 637 CA THR A 47 9.005 -0.245 2.518 1.00 0.00 C ATOM 638 C THR A 47 8.901 0.503 1.194 1.00 0.00 C ATOM 639 O THR A 47 9.767 0.374 0.328 1.00 0.00 O ATOM 640 CB THR A 47 8.402 -1.652 2.349 1.00 0.00 C ATOM 641 OG1 THR A 47 8.356 -2.321 3.614 1.00 0.00 O ATOM 642 CG2 THR A 47 9.218 -2.475 1.363 1.00 0.00 C ATOM 0 H THR A 47 7.375 0.219 3.752 1.00 0.00 H new ATOM 0 HA THR A 47 10.054 -0.339 2.797 1.00 0.00 H new ATOM 0 HB THR A 47 7.390 -1.545 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.970 -3.214 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.773 -3.465 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.226 -1.978 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.240 -2.573 1.729 1.00 0.00 H new ATOM 650 N TYR A 48 7.839 1.286 1.043 1.00 0.00 N ATOM 651 CA TYR A 48 7.622 2.053 -0.177 1.00 0.00 C ATOM 652 C TYR A 48 7.276 3.504 0.146 1.00 0.00 C ATOM 653 O TYR A 48 6.174 3.802 0.605 1.00 0.00 O ATOM 654 CB TYR A 48 6.503 1.424 -1.008 1.00 0.00 C ATOM 655 CG TYR A 48 6.922 0.165 -1.734 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.069 0.141 -2.518 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.171 -1.000 -1.636 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.456 -1.006 -3.183 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.552 -2.152 -2.297 1.00 0.00 C ATOM 660 CZ TYR A 48 7.694 -2.150 -3.069 1.00 0.00 C ATOM 661 OH TYR A 48 8.076 -3.296 -3.729 1.00 0.00 O ATOM 0 H TYR A 48 7.115 1.406 1.751 1.00 0.00 H new ATOM 0 HA TYR A 48 8.547 2.038 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.662 1.193 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.149 2.153 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.668 1.035 -2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.275 -1.005 -1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.350 -1.007 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.958 -3.050 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 48 7.586 -4.062 -3.364 1.00 0.00 H new ATOM 671 N GLN A 49 8.226 4.400 -0.098 1.00 0.00 N ATOM 672 CA GLN A 49 8.023 5.820 0.166 1.00 0.00 C ATOM 673 C GLN A 49 7.326 6.498 -1.009 1.00 0.00 C ATOM 674 O GLN A 49 7.530 6.125 -2.165 1.00 0.00 O ATOM 675 CB GLN A 49 9.362 6.505 0.445 1.00 0.00 C ATOM 676 CG GLN A 49 9.253 8.013 0.599 1.00 0.00 C ATOM 677 CD GLN A 49 10.592 8.671 0.868 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.559 8.459 0.135 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.656 9.474 1.923 1.00 0.00 N ATOM 0 H GLN A 49 9.144 4.168 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 49 7.386 5.913 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.793 6.085 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.052 6.280 -0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.820 8.436 -0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.569 8.242 1.416 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.830 9.621 2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.531 9.944 2.154 1.00 0.00 H new ATOM 688 N LEU A 50 6.503 7.495 -0.706 1.00 0.00 N ATOM 689 CA LEU A 50 5.774 8.226 -1.737 1.00 0.00 C ATOM 690 C LEU A 50 5.919 9.732 -1.542 1.00 0.00 C ATOM 691 O LEU A 50 5.725 10.248 -0.441 1.00 0.00 O ATOM 692 CB LEU A 50 4.295 7.838 -1.717 1.00 0.00 C ATOM 693 CG LEU A 50 3.993 6.342 -1.802 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.491 6.101 -1.819 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.647 5.735 -3.034 1.00 0.00 C ATOM 0 H LEU A 50 6.323 7.816 0.245 1.00 0.00 H new ATOM 0 HA LEU A 50 6.199 7.961 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.850 8.227 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.798 8.337 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 50 4.408 5.856 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.295 5.031 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.048 6.500 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.052 6.600 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.421 4.670 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.262 6.225 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.727 5.875 -2.979 1.00 0.00 H new ATOM 707 N VAL A 51 6.260 10.433 -2.619 1.00 0.00 N ATOM 708 CA VAL A 51 6.427 11.881 -2.567 1.00 0.00 C ATOM 709 C VAL A 51 6.052 12.525 -3.897 1.00 0.00 C ATOM 710 O VAL A 51 6.472 12.068 -4.960 1.00 0.00 O ATOM 711 CB VAL A 51 7.876 12.266 -2.214 1.00 0.00 C ATOM 712 CG1 VAL A 51 8.036 13.778 -2.190 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.278 11.658 -0.879 1.00 0.00 C ATOM 0 H VAL A 51 6.426 10.022 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 51 5.760 12.249 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 51 8.537 11.867 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.066 14.031 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.791 14.185 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.366 14.203 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.305 11.940 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.614 12.026 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.204 10.572 -0.937 1.00 0.00 H new ATOM 723 N SER A 52 5.258 13.589 -3.830 1.00 0.00 N ATOM 724 CA SER A 52 4.823 14.295 -5.029 1.00 0.00 C ATOM 725 C SER A 52 5.113 15.789 -4.915 1.00 0.00 C ATOM 726 O SER A 52 5.714 16.245 -3.942 1.00 0.00 O ATOM 727 CB SER A 52 3.328 14.071 -5.264 1.00 0.00 C ATOM 728 OG SER A 52 2.951 14.473 -6.569 1.00 0.00 O ATOM 0 H SER A 52 4.903 13.981 -2.958 1.00 0.00 H new ATOM 0 HA SER A 52 5.381 13.898 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.088 13.017 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.753 14.632 -4.527 1.00 0.00 H new ATOM 0 HG SER A 52 1.992 14.318 -6.695 1.00 0.00 H new ATOM 734 N LYS A 53 4.681 16.547 -5.918 1.00 0.00 N ATOM 735 CA LYS A 53 4.892 17.989 -5.933 1.00 0.00 C ATOM 736 C LYS A 53 3.566 18.734 -5.821 1.00 0.00 C ATOM 737 O LYS A 53 3.507 19.836 -5.274 1.00 0.00 O ATOM 738 CB LYS A 53 5.617 18.406 -7.214 1.00 0.00 C ATOM 739 CG LYS A 53 7.067 17.957 -7.267 1.00 0.00 C ATOM 740 CD LYS A 53 7.910 18.670 -6.224 1.00 0.00 C ATOM 741 CE LYS A 53 8.851 17.708 -5.515 1.00 0.00 C ATOM 742 NZ LYS A 53 10.214 17.720 -6.117 1.00 0.00 N ATOM 0 H LYS A 53 4.182 16.186 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 53 5.509 18.250 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.086 17.994 -8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.578 19.491 -7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.121 16.880 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.473 18.152 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.488 19.461 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.258 19.148 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.917 17.976 -4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.442 16.699 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.825 17.052 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.154 17.440 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.615 18.677 -6.049 1.00 0.00 H new ATOM 756 N ILE A 54 2.505 18.126 -6.340 1.00 0.00 N ATOM 757 CA ILE A 54 1.180 18.731 -6.295 1.00 0.00 C ATOM 758 C ILE A 54 0.599 18.678 -4.886 1.00 0.00 C ATOM 759 O ILE A 54 0.309 19.713 -4.284 1.00 0.00 O ATOM 760 CB ILE A 54 0.209 18.033 -7.265 1.00 0.00 C ATOM 761 CG1 ILE A 54 0.749 18.097 -8.696 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.170 18.670 -7.185 1.00 0.00 C ATOM 763 CD1 ILE A 54 0.969 19.508 -9.196 1.00 0.00 C ATOM 0 H ILE A 54 2.537 17.215 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 54 1.298 19.771 -6.598 1.00 0.00 H new ATOM 0 HB ILE A 54 0.121 16.986 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.692 17.552 -8.745 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.052 17.589 -9.362 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.845 18.165 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.555 18.577 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.100 19.725 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.352 19.477 -10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.024 20.051 -9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.689 20.014 -8.553 1.00 0.00 H new ATOM 775 N CYS A 55 0.432 17.468 -4.366 1.00 0.00 N ATOM 776 CA CYS A 55 -0.113 17.279 -3.026 1.00 0.00 C ATOM 777 C CYS A 55 0.634 16.176 -2.285 1.00 0.00 C ATOM 778 O CYS A 55 0.126 15.071 -2.091 1.00 0.00 O ATOM 779 CB CYS A 55 -1.603 16.941 -3.103 1.00 0.00 C ATOM 780 SG CYS A 55 -2.680 18.384 -3.265 1.00 0.00 S ATOM 0 H CYS A 55 0.666 16.602 -4.852 1.00 0.00 H new ATOM 0 HA CYS A 55 0.013 18.211 -2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.771 16.279 -3.952 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.886 16.389 -2.207 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.919 17.996 -3.325 1.00 0.00 H new ATOM 786 N PRO A 56 1.870 16.479 -1.862 1.00 0.00 N ATOM 787 CA PRO A 56 2.714 15.525 -1.136 1.00 0.00 C ATOM 788 C PRO A 56 2.195 15.245 0.270 1.00 0.00 C ATOM 789 O PRO A 56 2.585 14.262 0.903 1.00 0.00 O ATOM 790 CB PRO A 56 4.072 16.229 -1.074 1.00 0.00 C ATOM 791 CG PRO A 56 3.751 17.681 -1.175 1.00 0.00 C ATOM 792 CD PRO A 56 2.538 17.776 -2.058 1.00 0.00 C ATOM 0 HA PRO A 56 2.744 14.552 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.593 16.003 -0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.721 15.909 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.552 18.106 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.587 18.237 -1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.895 18.607 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.812 17.933 -3.101 1.00 0.00 H new ATOM 800 N LEU A 57 1.314 16.113 0.755 1.00 0.00 N ATOM 801 CA LEU A 57 0.740 15.958 2.087 1.00 0.00 C ATOM 802 C LEU A 57 -0.431 14.982 2.066 1.00 0.00 C ATOM 803 O LEU A 57 -0.787 14.402 3.091 1.00 0.00 O ATOM 804 CB LEU A 57 0.280 17.314 2.626 1.00 0.00 C ATOM 805 CG LEU A 57 1.385 18.258 3.101 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.844 19.668 3.276 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.995 17.754 4.401 1.00 0.00 C ATOM 0 H LEU A 57 0.981 16.932 0.246 1.00 0.00 H new ATOM 0 HA LEU A 57 1.511 15.555 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.290 17.818 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.403 17.139 3.457 1.00 0.00 H new ATOM 0 HG LEU A 57 2.166 18.282 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.645 20.326 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.456 20.029 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.043 19.661 4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.780 18.438 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.223 17.699 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.420 16.763 4.243 1.00 0.00 H new ATOM 819 N MET A 58 -1.025 14.804 0.890 1.00 0.00 N ATOM 820 CA MET A 58 -2.155 13.895 0.735 1.00 0.00 C ATOM 821 C MET A 58 -1.825 12.517 1.300 1.00 0.00 C ATOM 822 O MET A 58 -2.710 11.802 1.773 1.00 0.00 O ATOM 823 CB MET A 58 -2.541 13.775 -0.741 1.00 0.00 C ATOM 824 CG MET A 58 -3.833 13.007 -0.970 1.00 0.00 C ATOM 825 SD MET A 58 -5.273 13.848 -0.286 1.00 0.00 S ATOM 826 CE MET A 58 -5.450 15.208 -1.438 1.00 0.00 C ATOM 0 H MET A 58 -0.743 15.277 0.031 1.00 0.00 H new ATOM 0 HA MET A 58 -2.998 14.304 1.292 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.642 14.774 -1.164 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.733 13.280 -1.280 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.978 12.859 -2.040 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.747 12.018 -0.520 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.396 16.153 -0.897 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.649 15.167 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.413 15.134 -1.944 1.00 0.00 H new ATOM 836 N ILE A 59 -0.549 12.150 1.246 1.00 0.00 N ATOM 837 CA ILE A 59 -0.104 10.858 1.754 1.00 0.00 C ATOM 838 C ILE A 59 0.544 11.000 3.126 1.00 0.00 C ATOM 839 O ILE A 59 1.260 11.967 3.389 1.00 0.00 O ATOM 840 CB ILE A 59 0.896 10.190 0.792 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.263 10.002 -0.588 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.361 8.855 1.355 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.971 9.128 -0.572 1.00 0.00 C ATOM 0 H ILE A 59 0.195 12.729 0.856 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.990 10.229 1.838 1.00 0.00 H new ATOM 0 HB ILE A 59 1.765 10.840 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.001 10.979 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.000 9.564 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.067 8.395 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.847 9.015 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.502 8.197 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.367 9.039 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.711 8.139 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.726 9.576 0.074 1.00 0.00 H new ATOM 855 N SER A 60 0.290 10.029 3.998 1.00 0.00 N ATOM 856 CA SER A 60 0.848 10.047 5.345 1.00 0.00 C ATOM 857 C SER A 60 1.650 8.778 5.618 1.00 0.00 C ATOM 858 O SER A 60 1.433 7.745 4.984 1.00 0.00 O ATOM 859 CB SER A 60 -0.270 10.189 6.381 1.00 0.00 C ATOM 860 OG SER A 60 -0.365 11.524 6.847 1.00 0.00 O ATOM 0 H SER A 60 -0.298 9.221 3.796 1.00 0.00 H new ATOM 0 HA SER A 60 1.518 10.904 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.220 9.886 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.080 9.520 7.220 1.00 0.00 H new ATOM 0 HG SER A 60 -1.087 11.590 7.506 1.00 0.00 H new ATOM 866 N ARG A 61 2.578 8.864 6.565 1.00 0.00 N ATOM 867 CA ARG A 61 3.414 7.724 6.921 1.00 0.00 C ATOM 868 C ARG A 61 2.560 6.496 7.221 1.00 0.00 C ATOM 869 O ARG A 61 1.516 6.596 7.863 1.00 0.00 O ATOM 870 CB ARG A 61 4.284 8.062 8.134 1.00 0.00 C ATOM 871 CG ARG A 61 5.139 6.900 8.612 1.00 0.00 C ATOM 872 CD ARG A 61 5.786 7.201 9.956 1.00 0.00 C ATOM 873 NE ARG A 61 6.605 8.409 9.911 1.00 0.00 N ATOM 874 CZ ARG A 61 7.144 8.972 10.987 1.00 0.00 C ATOM 875 NH1 ARG A 61 6.952 8.437 12.185 1.00 0.00 N ATOM 876 NH2 ARG A 61 7.877 10.071 10.865 1.00 0.00 N ATOM 0 H ARG A 61 2.770 9.711 7.100 1.00 0.00 H new ATOM 0 HA ARG A 61 4.058 7.498 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.933 8.901 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.642 8.390 8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.524 6.004 8.695 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.912 6.688 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.011 7.317 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.404 6.355 10.258 1.00 0.00 H new ATOM 0 HE ARG A 61 6.772 8.844 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.390 7.592 12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.367 8.871 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.027 10.484 9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.290 10.503 11.692 1.00 0.00 H new ATOM 890 N ASN A 62 3.013 5.338 6.750 1.00 0.00 N ATOM 891 CA ASN A 62 2.290 4.090 6.967 1.00 0.00 C ATOM 892 C ASN A 62 0.836 4.220 6.523 1.00 0.00 C ATOM 893 O ASN A 62 -0.077 3.759 7.209 1.00 0.00 O ATOM 894 CB ASN A 62 2.351 3.690 8.442 1.00 0.00 C ATOM 895 CG ASN A 62 3.714 3.157 8.841 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.489 3.842 9.507 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.011 1.929 8.433 1.00 0.00 N ATOM 0 H ASN A 62 3.876 5.238 6.216 1.00 0.00 H new ATOM 0 HA ASN A 62 2.767 3.314 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.107 4.554 9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.595 2.931 8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.913 1.517 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.337 1.398 7.882 1.00 0.00 H new ATOM 904 N HIS A 63 0.628 4.851 5.372 1.00 0.00 N ATOM 905 CA HIS A 63 -0.715 5.041 4.836 1.00 0.00 C ATOM 906 C HIS A 63 -1.471 3.717 4.781 1.00 0.00 C ATOM 907 O HIS A 63 -2.696 3.685 4.902 1.00 0.00 O ATOM 908 CB HIS A 63 -0.647 5.660 3.439 1.00 0.00 C ATOM 909 CG HIS A 63 -1.904 6.368 3.036 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.073 7.731 3.162 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.055 5.895 2.505 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.275 8.065 2.727 1.00 0.00 C ATOM 913 NE2 HIS A 63 -3.891 6.969 2.322 1.00 0.00 N ATOM 0 H HIS A 63 1.372 5.239 4.793 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.251 5.719 5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.184 6.364 3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.433 4.876 2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.275 4.864 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.684 9.064 2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.834 6.927 1.936 1.00 0.00 H new ATOM 921 N CYS A 64 -0.733 2.628 4.599 1.00 0.00 N ATOM 922 CA CYS A 64 -1.334 1.300 4.527 1.00 0.00 C ATOM 923 C CYS A 64 -0.267 0.215 4.627 1.00 0.00 C ATOM 924 O CYS A 64 0.929 0.495 4.547 1.00 0.00 O ATOM 925 CB CYS A 64 -2.119 1.143 3.224 1.00 0.00 C ATOM 926 SG CYS A 64 -1.082 1.024 1.747 1.00 0.00 S ATOM 0 H CYS A 64 0.282 2.638 4.499 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.017 1.191 5.369 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.740 0.250 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.793 1.992 3.114 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.763 0.481 0.782 1.00 0.00 H new ATOM 932 N VAL A 65 -0.708 -1.027 4.803 1.00 0.00 N ATOM 933 CA VAL A 65 0.208 -2.155 4.915 1.00 0.00 C ATOM 934 C VAL A 65 -0.428 -3.435 4.383 1.00 0.00 C ATOM 935 O VAL A 65 -1.483 -3.860 4.857 1.00 0.00 O ATOM 936 CB VAL A 65 0.646 -2.381 6.374 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.579 -3.578 6.473 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.310 -1.130 6.929 1.00 0.00 C ATOM 0 H VAL A 65 -1.695 -1.277 4.871 1.00 0.00 H new ATOM 0 HA VAL A 65 1.084 -1.911 4.314 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.240 -2.592 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.878 -3.722 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.065 -4.471 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.464 -3.401 5.862 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.614 -1.306 7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.187 -0.887 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.606 -0.299 6.895 1.00 0.00 H new ATOM 948 N LEU A 66 0.218 -4.045 3.397 1.00 0.00 N ATOM 949 CA LEU A 66 -0.284 -5.278 2.800 1.00 0.00 C ATOM 950 C LEU A 66 0.432 -6.494 3.378 1.00 0.00 C ATOM 951 O LEU A 66 1.608 -6.423 3.739 1.00 0.00 O ATOM 952 CB LEU A 66 -0.106 -5.242 1.281 1.00 0.00 C ATOM 953 CG LEU A 66 -1.104 -4.378 0.509 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.487 -3.032 0.161 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.568 -5.095 -0.750 1.00 0.00 C ATOM 0 H LEU A 66 1.091 -3.706 2.993 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.346 -5.359 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.900 -4.884 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.171 -6.262 0.903 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.972 -4.204 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.212 -2.431 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.205 -2.513 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.398 -3.186 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.278 -4.465 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.709 -5.300 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.050 -6.034 -0.477 1.00 0.00 H new ATOM 967 N LYS A 67 -0.283 -7.611 3.463 1.00 0.00 N ATOM 968 CA LYS A 67 0.284 -8.845 3.994 1.00 0.00 C ATOM 969 C LYS A 67 -0.716 -9.992 3.888 1.00 0.00 C ATOM 970 O LYS A 67 -1.927 -9.776 3.918 1.00 0.00 O ATOM 971 CB LYS A 67 0.703 -8.651 5.453 1.00 0.00 C ATOM 972 CG LYS A 67 -0.411 -8.120 6.340 1.00 0.00 C ATOM 973 CD LYS A 67 0.068 -6.967 7.205 1.00 0.00 C ATOM 974 CE LYS A 67 0.440 -7.436 8.603 1.00 0.00 C ATOM 975 NZ LYS A 67 1.549 -8.430 8.579 1.00 0.00 N ATOM 0 H LYS A 67 -1.257 -7.687 3.171 1.00 0.00 H new ATOM 0 HA LYS A 67 1.163 -9.097 3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.051 -9.604 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.547 -7.962 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.245 -7.790 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.785 -8.922 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.931 -6.494 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.714 -6.210 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.735 -6.578 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.434 -7.878 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.236 -8.202 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.165 -9.383 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.021 -8.401 7.653 1.00 0.00 H new ATOM 989 N GLN A 68 -0.200 -11.211 3.766 1.00 0.00 N ATOM 990 CA GLN A 68 -1.048 -12.392 3.658 1.00 0.00 C ATOM 991 C GLN A 68 -1.397 -12.940 5.037 1.00 0.00 C ATOM 992 O GLN A 68 -0.520 -13.370 5.785 1.00 0.00 O ATOM 993 CB GLN A 68 -0.352 -13.471 2.828 1.00 0.00 C ATOM 994 CG GLN A 68 -0.087 -13.057 1.389 1.00 0.00 C ATOM 995 CD GLN A 68 0.771 -14.058 0.642 1.00 0.00 C ATOM 996 OE1 GLN A 68 1.938 -14.265 0.975 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.196 -14.687 -0.377 1.00 0.00 N ATOM 0 H GLN A 68 0.801 -11.406 3.740 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.972 -12.100 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.595 -13.729 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.966 -14.372 2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.037 -12.939 0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.405 -12.084 1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.774 -14.485 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.725 -15.372 -0.917 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.684 -12.921 5.368 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.149 -13.416 6.659 1.00 0.00 C ATOM 1008 C ASN A 69 -2.615 -14.820 6.927 1.00 0.00 C ATOM 1009 O ASN A 69 -2.198 -15.537 6.018 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.679 -13.423 6.705 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.291 -14.087 5.487 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.805 -15.115 5.017 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.365 -13.500 4.971 1.00 0.00 N ATOM 0 H ASN A 69 -3.423 -12.568 4.760 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.772 -12.748 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.010 -13.943 7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.042 -12.398 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.821 -13.901 4.152 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.733 -12.648 5.394 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.629 -15.223 8.206 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.151 -16.545 8.625 1.00 0.00 C ATOM 1022 C PRO A 70 -2.746 -17.669 7.784 1.00 0.00 C ATOM 1023 O PRO A 70 -2.145 -18.733 7.642 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.628 -16.651 10.076 1.00 0.00 C ATOM 1025 CG PRO A 70 -2.723 -15.241 10.548 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.113 -14.421 9.342 1.00 0.00 C ATOM 0 HA PRO A 70 -1.072 -16.645 8.509 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.592 -17.156 10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.927 -17.225 10.682 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.465 -15.145 11.341 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.772 -14.902 10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.191 -14.267 9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.651 -13.434 9.362 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.930 -17.426 7.231 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.605 -18.420 6.404 1.00 0.00 C ATOM 1036 C GLU A 71 -3.836 -18.663 5.109 1.00 0.00 C ATOM 1037 O GLU A 71 -3.747 -19.792 4.629 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.032 -17.968 6.087 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.780 -17.423 7.292 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.285 -17.462 7.111 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.791 -18.460 6.558 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -8.956 -16.493 7.523 1.00 0.00 O ATOM 0 H GLU A 71 -4.441 -16.550 7.340 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.644 -19.355 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.998 -17.201 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.588 -18.810 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.509 -18.001 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.466 -16.395 7.475 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.283 -17.593 4.546 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.530 -17.710 3.311 1.00 0.00 C ATOM 1051 C GLY A 72 -3.136 -16.898 2.183 1.00 0.00 C ATOM 1052 O GLY A 72 -2.915 -17.194 1.009 1.00 0.00 O ATOM 0 H GLY A 72 -3.343 -16.647 4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.505 -17.381 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.483 -18.758 3.016 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.904 -15.873 2.540 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.546 -15.019 1.548 1.00 0.00 C ATOM 1058 C GLN A 73 -4.158 -13.558 1.756 1.00 0.00 C ATOM 1059 O GLN A 73 -4.067 -13.085 2.888 1.00 0.00 O ATOM 1060 CB GLN A 73 -6.066 -15.170 1.621 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.820 -14.156 0.776 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.534 -14.303 -0.706 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -6.267 -15.402 -1.192 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.590 -13.193 -1.433 1.00 0.00 N ATOM 0 H GLN A 73 -4.096 -15.614 3.508 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.204 -15.331 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.339 -16.174 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.383 -15.072 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.890 -14.269 0.949 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.550 -13.150 1.096 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.815 -12.303 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.408 -13.230 -2.436 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.931 -12.850 0.655 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.552 -11.443 0.717 1.00 0.00 C ATOM 1075 C TRP A 74 -4.680 -10.601 1.304 1.00 0.00 C ATOM 1076 O TRP A 74 -5.853 -10.819 1.002 1.00 0.00 O ATOM 1077 CB TRP A 74 -3.188 -10.930 -0.677 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.756 -11.173 -1.044 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -1.286 -12.059 -1.971 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.607 -10.522 -0.491 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.085 -11.999 -2.027 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.526 -11.063 -1.129 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.425 -9.534 0.481 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 1.820 -10.648 -0.826 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 0.860 -9.124 0.781 1.00 0.00 C ATOM 1086 CH2 TRP A 74 1.969 -9.679 0.129 1.00 0.00 C ATOM 0 H TRP A 74 -4.003 -13.227 -0.290 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.682 -11.355 1.367 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.831 -11.412 -1.413 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.392 -9.860 -0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.902 -12.711 -2.572 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.678 -12.560 -2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.273 -9.099 0.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.676 -11.076 -1.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.012 -8.362 1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.960 -9.336 0.385 1.00 0.00 H new ATOM 1097 N THR A 75 -4.317 -9.638 2.145 1.00 0.00 N ATOM 1098 CA THR A 75 -5.299 -8.764 2.775 1.00 0.00 C ATOM 1099 C THR A 75 -4.705 -7.391 3.068 1.00 0.00 C ATOM 1100 O THR A 75 -3.662 -7.280 3.714 1.00 0.00 O ATOM 1101 CB THR A 75 -5.831 -9.370 4.087 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.749 -9.592 4.999 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.555 -10.682 3.822 1.00 0.00 C ATOM 0 H THR A 75 -3.350 -9.443 2.406 1.00 0.00 H new ATOM 0 HA THR A 75 -6.125 -8.658 2.071 1.00 0.00 H new ATOM 0 HB THR A 75 -6.537 -8.666 4.527 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.053 -8.918 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.922 -11.092 4.763 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.396 -10.505 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.867 -11.391 3.362 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.374 -6.347 2.590 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.913 -4.981 2.803 1.00 0.00 C ATOM 1113 C ILE A 76 -5.362 -4.454 4.161 1.00 0.00 C ATOM 1114 O ILE A 76 -6.552 -4.461 4.478 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.427 -4.035 1.701 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.949 -2.606 1.963 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.945 -4.086 1.626 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.846 -1.764 0.710 1.00 0.00 C ATOM 0 H ILE A 76 -6.238 -6.421 2.052 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.824 -5.007 2.769 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.024 -4.363 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.635 -2.124 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.974 -2.641 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.293 -3.412 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.264 -5.103 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.367 -3.779 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.501 -0.763 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.138 -2.223 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.825 -1.698 0.234 1.00 0.00 H new ATOM 1130 N MET A 77 -4.404 -3.996 4.959 1.00 0.00 N ATOM 1131 CA MET A 77 -4.702 -3.462 6.283 1.00 0.00 C ATOM 1132 C MET A 77 -4.189 -2.032 6.420 1.00 0.00 C ATOM 1133 O MET A 77 -3.042 -1.739 6.082 1.00 0.00 O ATOM 1134 CB MET A 77 -4.079 -4.346 7.365 1.00 0.00 C ATOM 1135 CG MET A 77 -4.363 -3.865 8.779 1.00 0.00 C ATOM 1136 SD MET A 77 -2.912 -3.954 9.846 1.00 0.00 S ATOM 1137 CE MET A 77 -2.060 -2.447 9.385 1.00 0.00 C ATOM 0 H MET A 77 -3.414 -3.984 4.712 1.00 0.00 H new ATOM 0 HA MET A 77 -5.785 -3.455 6.409 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.455 -5.363 7.253 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.000 -4.387 7.213 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.721 -2.836 8.744 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.164 -4.467 9.210 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.033 -2.484 9.749 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.057 -2.348 8.299 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.571 -1.591 9.826 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.044 -1.146 6.918 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.677 0.253 7.100 1.00 0.00 C ATOM 1149 C ASP A 78 -3.996 0.465 8.449 1.00 0.00 C ATOM 1150 O ASP A 78 -4.512 0.053 9.487 1.00 0.00 O ATOM 1151 CB ASP A 78 -5.914 1.146 6.994 1.00 0.00 C ATOM 1152 CG ASP A 78 -5.597 2.607 7.245 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.460 3.028 6.945 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -6.487 3.330 7.740 1.00 0.00 O ATOM 0 H ASP A 78 -5.997 -1.372 7.203 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.975 0.524 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.353 1.038 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.663 0.811 7.712 1.00 0.00 H new ATOM 1159 N ASN A 79 -2.833 1.109 8.424 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.080 1.373 9.645 1.00 0.00 C ATOM 1161 C ASN A 79 -2.550 2.666 10.305 1.00 0.00 C ATOM 1162 O ASN A 79 -1.757 3.576 10.548 1.00 0.00 O ATOM 1163 CB ASN A 79 -0.584 1.458 9.338 1.00 0.00 C ATOM 1164 CG ASN A 79 0.273 0.999 10.502 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -0.187 0.946 11.643 1.00 0.00 O ATOM 1166 ND2 ASN A 79 1.526 0.665 10.218 1.00 0.00 N ATOM 0 H ASN A 79 -2.392 1.457 7.573 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.256 0.549 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.360 0.848 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.326 2.486 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.150 0.349 10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.864 0.724 9.258 1.00 0.00 H new ATOM 1173 N LYS A 80 -3.845 2.740 10.592 1.00 0.00 N ATOM 1174 CA LYS A 80 -4.422 3.920 11.225 1.00 0.00 C ATOM 1175 C LYS A 80 -4.047 5.186 10.461 1.00 0.00 C ATOM 1176 O LYS A 80 -3.393 6.077 11.002 1.00 0.00 O ATOM 1177 CB LYS A 80 -3.949 4.029 12.677 1.00 0.00 C ATOM 1178 CG LYS A 80 -4.716 3.135 13.635 1.00 0.00 C ATOM 1179 CD LYS A 80 -4.590 3.618 15.070 1.00 0.00 C ATOM 1180 CE LYS A 80 -3.288 3.151 15.703 1.00 0.00 C ATOM 1181 NZ LYS A 80 -2.161 4.076 15.401 1.00 0.00 N ATOM 0 H LYS A 80 -4.515 1.996 10.396 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.507 3.815 11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.890 3.775 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.044 5.064 13.005 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.768 3.111 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.342 2.114 13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.638 4.707 15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.433 3.249 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.416 3.075 16.783 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.045 2.152 15.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.408 3.556 14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.501 4.852 14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.786 4.467 16.288 1.00 0.00 H new ATOM 1195 N SER A 81 -4.468 5.259 9.202 1.00 0.00 N ATOM 1196 CA SER A 81 -4.174 6.415 8.364 1.00 0.00 C ATOM 1197 C SER A 81 -5.145 7.556 8.652 1.00 0.00 C ATOM 1198 O SER A 81 -6.054 7.421 9.472 1.00 0.00 O ATOM 1199 CB SER A 81 -4.247 6.030 6.885 1.00 0.00 C ATOM 1200 OG SER A 81 -5.549 5.594 6.535 1.00 0.00 O ATOM 0 H SER A 81 -5.014 4.531 8.740 1.00 0.00 H new ATOM 0 HA SER A 81 -3.164 6.753 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.969 6.885 6.269 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.527 5.239 6.676 1.00 0.00 H new ATOM 0 HG SER A 81 -5.570 5.355 5.585 1.00 0.00 H new ATOM 1206 N LEU A 82 -4.945 8.680 7.973 1.00 0.00 N ATOM 1207 CA LEU A 82 -5.801 9.846 8.155 1.00 0.00 C ATOM 1208 C LEU A 82 -6.825 9.951 7.030 1.00 0.00 C ATOM 1209 O LEU A 82 -8.027 9.814 7.256 1.00 0.00 O ATOM 1210 CB LEU A 82 -4.957 11.120 8.211 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.730 12.435 8.320 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -5.934 12.815 9.778 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.004 13.545 7.574 1.00 0.00 C ATOM 0 H LEU A 82 -4.197 8.808 7.291 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.335 9.729 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.282 11.047 9.064 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.336 11.160 7.316 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.709 12.297 7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.486 13.753 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.498 12.031 10.283 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.965 12.934 10.262 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.569 14.473 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.011 13.682 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.911 13.276 6.522 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.341 10.192 5.816 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.214 10.313 4.654 1.00 0.00 C ATOM 1227 C ASN A 83 -8.116 9.090 4.522 1.00 0.00 C ATOM 1228 O ASN A 83 -9.295 9.209 4.191 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.383 10.487 3.381 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.256 11.486 3.559 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -4.125 11.114 3.873 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.560 12.763 3.358 1.00 0.00 N ATOM 0 H ASN A 83 -5.348 10.307 5.611 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.842 11.193 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.968 9.523 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.032 10.816 2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.843 13.481 3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.511 13.026 3.099 1.00 0.00 H new ATOM 1239 N GLY A 84 -7.553 7.915 4.785 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.321 6.687 4.691 1.00 0.00 C ATOM 1241 C GLY A 84 -7.869 5.807 3.542 1.00 0.00 C ATOM 1242 O GLY A 84 -7.253 6.285 2.589 1.00 0.00 O ATOM 0 H GLY A 84 -6.579 7.791 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.231 6.133 5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.376 6.931 4.565 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.173 4.516 3.632 1.00 0.00 N ATOM 1247 CA VAL A 85 -7.794 3.567 2.593 1.00 0.00 C ATOM 1248 C VAL A 85 -9.014 3.080 1.820 1.00 0.00 C ATOM 1249 O VAL A 85 -9.938 2.507 2.397 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.057 2.351 3.185 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.510 1.465 2.076 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -5.941 2.805 4.114 1.00 0.00 C ATOM 0 H VAL A 85 -8.681 4.104 4.415 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.124 4.094 1.914 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.769 1.766 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.993 0.611 2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.332 1.111 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.812 2.037 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.431 1.933 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.229 3.414 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.363 3.394 4.928 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.011 3.313 0.513 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.119 2.898 -0.340 1.00 0.00 C ATOM 1264 C TRP A 86 -9.776 1.618 -1.094 1.00 0.00 C ATOM 1265 O TRP A 86 -8.623 1.394 -1.465 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.472 4.009 -1.331 1.00 0.00 C ATOM 1267 CG TRP A 86 -10.785 5.317 -0.669 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -9.888 6.238 -0.209 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.086 5.848 -0.394 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.553 7.309 0.337 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -11.902 7.095 0.235 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.387 5.392 -0.618 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -12.971 7.888 0.641 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.448 6.181 -0.214 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.235 7.417 0.409 1.00 0.00 C ATOM 0 H TRP A 86 -8.254 3.787 0.020 1.00 0.00 H new ATOM 0 HA TRP A 86 -10.981 2.702 0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.640 4.149 -2.021 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.330 3.696 -1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.814 6.139 -0.266 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.113 8.131 0.751 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.561 4.440 -1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.809 8.841 1.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.458 5.838 -0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.085 8.010 0.712 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.782 0.780 -1.318 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.586 -0.479 -2.028 1.00 0.00 C ATOM 1288 C LEU A 87 -11.790 -0.801 -2.908 1.00 0.00 C ATOM 1289 O LEU A 87 -12.856 -1.163 -2.410 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.348 -1.617 -1.034 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.317 -3.028 -1.623 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.037 -3.249 -2.413 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.453 -4.069 -0.522 1.00 0.00 C ATOM 0 H LEU A 87 -11.742 0.950 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.709 -0.374 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.401 -1.436 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.129 -1.579 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.162 -3.135 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.033 -4.258 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.982 -2.525 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.177 -3.122 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.429 -5.067 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.629 -3.962 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.399 -3.925 0.000 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.612 -0.669 -4.218 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.683 -0.947 -5.167 1.00 0.00 C ATOM 1307 C ASN A 88 -13.898 -0.066 -4.891 1.00 0.00 C ATOM 1308 O ASN A 88 -15.028 -0.551 -4.827 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.083 -2.423 -5.099 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.141 -3.314 -5.884 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.494 -2.869 -6.833 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.060 -4.580 -5.492 1.00 0.00 N ATOM 0 H ASN A 88 -10.736 -0.371 -4.647 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.314 -0.723 -6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.099 -2.744 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.096 -2.540 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.443 -5.227 -5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.615 -4.905 -4.700 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.657 1.230 -4.727 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.730 2.179 -4.457 1.00 0.00 C ATOM 1321 C ARG A 89 -15.406 1.870 -3.124 1.00 0.00 C ATOM 1322 O ARG A 89 -16.626 1.964 -2.999 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.764 2.147 -5.584 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.150 2.182 -6.974 1.00 0.00 C ATOM 1325 CD ARG A 89 -14.434 3.498 -7.235 1.00 0.00 C ATOM 1326 NE ARG A 89 -13.949 3.595 -8.609 1.00 0.00 N ATOM 1327 CZ ARG A 89 -13.456 4.709 -9.137 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -13.382 5.816 -8.410 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -13.034 4.718 -10.395 1.00 0.00 N ATOM 0 H ARG A 89 -12.728 1.647 -4.776 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.294 3.176 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.369 1.245 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.438 2.996 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.447 1.356 -7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -15.930 2.037 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.113 4.326 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.595 3.597 -6.547 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.991 2.761 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.704 5.813 -7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.003 6.670 -8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.088 3.869 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.655 5.574 -10.800 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.603 1.500 -2.132 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.123 1.179 -0.808 1.00 0.00 C ATOM 1345 C ALA A 90 -14.178 1.664 0.286 1.00 0.00 C ATOM 1346 O ALA A 90 -12.998 1.315 0.300 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.354 -0.320 -0.682 1.00 0.00 C ATOM 0 H ALA A 90 -13.590 1.415 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.075 1.695 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.742 -0.546 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.074 -0.642 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.412 -0.847 -0.832 1.00 0.00 H new ATOM 1353 N ARG A 91 -14.705 2.472 1.200 1.00 0.00 N ATOM 1354 CA ARG A 91 -13.907 3.007 2.297 1.00 0.00 C ATOM 1355 C ARG A 91 -13.586 1.919 3.317 1.00 0.00 C ATOM 1356 O ARG A 91 -14.481 1.232 3.811 1.00 0.00 O ATOM 1357 CB ARG A 91 -14.648 4.159 2.980 1.00 0.00 C ATOM 1358 CG ARG A 91 -13.964 4.658 4.243 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.102 6.165 4.391 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.210 6.569 5.791 1.00 0.00 N ATOM 1361 CZ ARG A 91 -14.704 7.739 6.181 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -15.132 8.615 5.283 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -14.770 8.034 7.473 1.00 0.00 N ATOM 0 H ARG A 91 -15.680 2.770 1.203 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.970 3.381 1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -14.743 4.987 2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.658 3.834 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.398 4.164 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.908 4.389 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.240 6.654 3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.984 6.504 3.847 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.889 5.918 6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.083 8.392 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.511 9.512 5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.441 7.362 8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.149 8.932 7.772 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.303 1.767 3.628 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.862 0.762 4.589 1.00 0.00 C ATOM 1379 C LEU A 92 -11.695 1.371 5.977 1.00 0.00 C ATOM 1380 O LEU A 92 -11.773 2.588 6.143 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.544 0.135 4.132 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.495 -0.343 2.681 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.055 -0.547 2.235 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.294 -1.627 2.514 1.00 0.00 C ATOM 0 H LEU A 92 -11.550 2.327 3.228 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.626 -0.013 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.747 0.864 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.324 -0.713 4.780 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.944 0.424 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.040 -0.887 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.512 0.395 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.580 -1.295 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.247 -1.952 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.875 -2.402 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.333 -1.448 2.792 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.464 0.517 6.969 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.284 0.974 8.342 1.00 0.00 C ATOM 1398 C GLU A 93 -9.856 0.720 8.817 1.00 0.00 C ATOM 1399 O GLU A 93 -9.124 -0.096 8.256 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.275 0.269 9.271 1.00 0.00 C ATOM 1401 CG GLU A 93 -13.568 1.040 9.479 1.00 0.00 C ATOM 1402 CD GLU A 93 -14.692 0.165 9.999 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -14.959 -0.888 9.382 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -15.304 0.533 11.023 1.00 0.00 O ATOM 0 H GLU A 93 -11.397 -0.494 6.848 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.472 2.047 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.509 -0.713 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.800 0.105 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.392 1.854 10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.872 1.493 8.535 1.00 0.00 H new ATOM 1411 N PRO A 94 -9.450 1.435 9.877 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.107 1.306 10.451 1.00 0.00 C ATOM 1413 C PRO A 94 -7.904 -0.033 11.154 1.00 0.00 C ATOM 1414 O PRO A 94 -8.768 -0.490 11.903 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.041 2.455 11.461 1.00 0.00 C ATOM 1416 CG PRO A 94 -9.461 2.718 11.829 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.269 2.425 10.595 1.00 0.00 C ATOM 0 HA PRO A 94 -7.331 1.347 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.450 2.181 12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.575 3.339 11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.773 2.084 12.659 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -9.597 3.751 12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.253 2.028 10.844 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.430 3.322 9.998 1.00 0.00 H new ATOM 1425 N LEU A 95 -6.758 -0.657 10.907 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.440 -1.943 11.517 1.00 0.00 C ATOM 1427 C LEU A 95 -7.519 -2.975 11.203 1.00 0.00 C ATOM 1428 O LEU A 95 -7.962 -3.713 12.084 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.291 -1.789 13.031 1.00 0.00 C ATOM 1430 CG LEU A 95 -5.516 -0.560 13.507 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -5.382 -0.568 15.022 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.145 -0.505 12.849 1.00 0.00 C ATOM 0 H LEU A 95 -6.033 -0.293 10.288 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.496 -2.292 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.287 -1.759 13.473 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.796 -2.679 13.420 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.072 0.331 13.216 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.828 0.314 15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.373 -0.558 15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.849 -1.466 15.335 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.608 0.376 13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.581 -1.401 13.108 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.263 -0.451 11.767 1.00 0.00 H new ATOM 1444 N ARG A 96 -7.936 -3.023 9.942 1.00 0.00 N ATOM 1445 CA ARG A 96 -8.962 -3.965 9.512 1.00 0.00 C ATOM 1446 C ARG A 96 -8.406 -4.940 8.478 1.00 0.00 C ATOM 1447 O ARG A 96 -7.229 -4.880 8.123 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.161 -3.215 8.929 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.481 -3.562 9.598 1.00 0.00 C ATOM 1450 CD ARG A 96 -11.675 -2.777 10.886 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.076 -2.736 11.297 1.00 0.00 N ATOM 1452 CZ ARG A 96 -13.681 -3.726 11.944 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -13.011 -4.827 12.254 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -14.959 -3.614 12.284 1.00 0.00 N ATOM 0 H ARG A 96 -7.579 -2.421 9.200 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.287 -4.533 10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.988 -2.143 9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.234 -3.436 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.303 -3.351 8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.512 -4.630 9.813 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.078 -3.228 11.679 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.308 -1.760 10.749 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.619 -1.902 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.028 -4.916 11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.478 -5.585 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.477 -2.768 12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.423 -4.374 12.781 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.261 -5.837 7.998 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.856 -6.825 7.005 1.00 0.00 C ATOM 1470 C VAL A 97 -9.793 -6.810 5.802 1.00 0.00 C ATOM 1471 O VAL A 97 -11.010 -6.705 5.951 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.829 -8.244 7.602 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.234 -9.231 6.609 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -8.051 -8.256 8.910 1.00 0.00 C ATOM 0 H VAL A 97 -10.239 -5.900 8.281 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.850 -6.556 6.683 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.854 -8.551 7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.223 -10.228 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.837 -9.242 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.215 -8.931 6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.042 -9.266 9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.027 -7.929 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.526 -7.581 9.622 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.217 -6.915 4.609 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.999 -6.912 3.379 1.00 0.00 C ATOM 1486 C TYR A 98 -9.313 -7.737 2.295 1.00 0.00 C ATOM 1487 O TYR A 98 -8.311 -7.314 1.718 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.211 -5.479 2.888 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.125 -4.664 3.774 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.506 -4.732 3.632 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.609 -3.826 4.755 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.345 -3.989 4.438 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.441 -3.080 5.567 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.808 -3.164 5.405 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.641 -2.423 6.212 1.00 0.00 O ATOM 0 H TYR A 98 -8.211 -7.003 4.468 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.968 -7.362 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.244 -4.980 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.626 -5.507 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.930 -5.378 2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.539 -3.757 4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.416 -4.053 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.023 -2.434 6.325 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.104 -1.896 6.840 1.00 0.00 H new ATOM 1505 N SER A 99 -9.861 -8.917 2.022 1.00 0.00 N ATOM 1506 CA SER A 99 -9.302 -9.804 1.009 1.00 0.00 C ATOM 1507 C SER A 99 -9.291 -9.129 -0.359 1.00 0.00 C ATOM 1508 O SER A 99 -10.295 -8.560 -0.790 1.00 0.00 O ATOM 1509 CB SER A 99 -10.103 -11.105 0.942 1.00 0.00 C ATOM 1510 OG SER A 99 -11.450 -10.896 1.330 1.00 0.00 O ATOM 0 H SER A 99 -10.692 -9.281 2.489 1.00 0.00 H new ATOM 0 HA SER A 99 -8.274 -10.033 1.290 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.071 -11.503 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.646 -11.851 1.592 1.00 0.00 H new ATOM 0 HG SER A 99 -11.941 -11.743 1.277 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.150 -9.196 -1.036 1.00 0.00 N ATOM 1517 CA ILE A 100 -8.008 -8.592 -2.355 1.00 0.00 C ATOM 1518 C ILE A 100 -7.732 -9.651 -3.417 1.00 0.00 C ATOM 1519 O ILE A 100 -6.999 -10.611 -3.176 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.874 -7.550 -2.378 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.531 -8.219 -2.082 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -7.153 -6.442 -1.374 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.351 -7.279 -2.192 1.00 0.00 C ATOM 0 H ILE A 100 -7.310 -9.663 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.952 -8.094 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.826 -7.108 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.558 -8.640 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.388 -9.051 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.343 -5.713 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.092 -5.950 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.224 -6.867 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.432 -7.821 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.299 -6.877 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.471 -6.460 -1.482 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.322 -9.469 -4.594 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.138 -10.407 -5.695 1.00 0.00 C ATOM 1537 C HIS A 101 -7.652 -9.686 -6.948 1.00 0.00 C ATOM 1538 O HIS A 101 -7.529 -8.461 -6.962 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.445 -11.143 -5.990 1.00 0.00 C ATOM 1540 CG HIS A 101 -10.127 -11.668 -4.764 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.494 -12.463 -3.833 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -11.395 -11.505 -4.319 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -10.343 -12.768 -2.868 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -11.503 -12.199 -3.138 1.00 0.00 N ATOM 0 H HIS A 101 -8.932 -8.680 -4.810 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.381 -11.133 -5.398 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.123 -10.467 -6.512 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.240 -11.974 -6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.176 -10.936 -4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -10.125 -13.379 -2.005 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -12.343 -12.264 -2.563 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.377 -10.453 -7.998 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.904 -9.886 -9.256 1.00 0.00 C ATOM 1554 C GLN A 102 -7.962 -8.980 -9.877 1.00 0.00 C ATOM 1555 O GLN A 102 -8.992 -9.450 -10.358 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.532 -11.001 -10.235 1.00 0.00 C ATOM 1557 CG GLN A 102 -5.425 -10.616 -11.203 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.878 -9.599 -12.232 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -7.072 -9.455 -12.496 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.923 -8.887 -12.820 1.00 0.00 N ATOM 0 H GLN A 102 -7.473 -11.468 -8.003 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.018 -9.287 -9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.220 -11.880 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.418 -11.285 -10.803 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.583 -10.210 -10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.067 -11.510 -11.714 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.946 -9.040 -12.570 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.167 -8.188 -13.521 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.700 -7.676 -9.861 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.640 -6.724 -10.425 1.00 0.00 C ATOM 1571 C GLY A 103 -9.136 -5.723 -9.401 1.00 0.00 C ATOM 1572 O GLY A 103 -10.168 -5.082 -9.599 1.00 0.00 O ATOM 0 H GLY A 103 -6.855 -7.262 -9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.163 -6.191 -11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.490 -7.262 -10.844 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.401 -5.589 -8.303 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.772 -4.659 -7.243 1.00 0.00 C ATOM 1578 C ASP A 104 -8.097 -3.305 -7.446 1.00 0.00 C ATOM 1579 O ASP A 104 -6.994 -3.226 -7.987 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.393 -5.231 -5.877 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.321 -6.348 -5.439 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.851 -7.057 -6.319 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.518 -6.511 -4.217 1.00 0.00 O ATOM 0 H ASP A 104 -7.544 -6.113 -8.124 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.852 -4.516 -7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.370 -5.606 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.413 -4.434 -5.134 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.768 -2.245 -7.011 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.235 -0.894 -7.148 1.00 0.00 C ATOM 1590 C TYR A 105 -7.996 -0.262 -5.781 1.00 0.00 C ATOM 1591 O TYR A 105 -8.934 -0.034 -5.017 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.194 -0.026 -7.964 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.723 0.234 -9.377 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.499 -0.816 -10.259 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.501 1.528 -9.830 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.068 -0.584 -11.551 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.071 1.770 -11.121 1.00 0.00 C ATOM 1598 CZ TYR A 105 -7.856 0.710 -11.977 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.427 0.947 -13.263 1.00 0.00 O ATOM 0 H TYR A 105 -9.682 -2.294 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.280 -0.958 -7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.169 -0.511 -7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.330 0.928 -7.454 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.665 -1.831 -9.929 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.667 2.360 -9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.898 -1.412 -12.224 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.904 2.783 -11.457 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.554 1.894 -13.481 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.733 0.020 -5.480 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.369 0.628 -4.206 1.00 0.00 C ATOM 1611 C ILE A 106 -6.042 2.108 -4.377 1.00 0.00 C ATOM 1612 O ILE A 106 -5.201 2.477 -5.196 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.161 -0.082 -3.568 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.473 -1.563 -3.343 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.783 0.590 -2.256 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.984 -2.460 -4.458 1.00 0.00 C ATOM 0 H ILE A 106 -5.945 -0.163 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.232 0.522 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.313 -0.007 -4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.019 -1.883 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.551 -1.686 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.927 0.076 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.524 1.632 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.626 0.543 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.240 -3.495 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.457 -2.166 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.902 -2.366 -4.553 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.712 2.950 -3.596 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.492 4.390 -3.660 1.00 0.00 C ATOM 1630 C GLN A 107 -5.968 4.920 -2.330 1.00 0.00 C ATOM 1631 O GLN A 107 -6.695 4.960 -1.336 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.789 5.109 -4.035 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.567 6.407 -4.795 1.00 0.00 C ATOM 1634 CD GLN A 107 -8.850 6.972 -5.373 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.163 6.760 -6.545 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.601 7.695 -4.551 1.00 0.00 N ATOM 0 H GLN A 107 -7.411 2.660 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.743 4.584 -4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.402 4.442 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.353 5.321 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.119 7.143 -4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.855 6.234 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.303 7.845 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.476 8.100 -4.883 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.704 5.327 -2.317 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.082 5.855 -1.108 1.00 0.00 C ATOM 1647 C LEU A 108 -4.497 7.304 -0.870 1.00 0.00 C ATOM 1648 O LEU A 108 -3.830 8.233 -1.322 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.559 5.759 -1.210 1.00 0.00 C ATOM 1650 CG LEU A 108 -1.986 4.353 -1.394 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.471 4.406 -1.518 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.397 3.454 -0.237 1.00 0.00 C ATOM 0 H LEU A 108 -4.089 5.302 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.422 5.256 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.231 6.376 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.126 6.191 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.391 3.934 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.081 3.397 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.198 5.015 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.047 4.845 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.980 2.458 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.021 3.870 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.484 3.390 -0.194 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.603 7.488 -0.156 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.087 8.826 0.131 1.00 0.00 C ATOM 1666 C GLY A 109 -7.326 9.178 -0.668 1.00 0.00 C ATOM 1667 O GLY A 109 -8.055 8.294 -1.119 1.00 0.00 O ATOM 0 H GLY A 109 -6.173 6.735 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.309 8.908 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.300 9.548 -0.087 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.567 10.474 -0.843 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.727 10.941 -1.592 1.00 0.00 C ATOM 1673 C VAL A 110 -8.315 11.906 -2.698 1.00 0.00 C ATOM 1674 O VAL A 110 -7.266 12.549 -2.636 1.00 0.00 O ATOM 1675 CB VAL A 110 -9.746 11.638 -0.671 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.533 10.611 0.128 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.044 12.621 0.253 1.00 0.00 C ATOM 0 H VAL A 110 -6.974 11.219 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.192 10.061 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.448 12.196 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.248 11.122 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.068 9.951 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.848 10.023 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.779 13.104 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.318 12.088 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.530 13.376 -0.342 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.158 12.012 -3.736 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.903 12.898 -4.876 1.00 0.00 C ATOM 1689 C PRO A 111 -9.022 14.372 -4.502 1.00 0.00 C ATOM 1690 O PRO A 111 -9.370 14.710 -3.370 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.994 12.510 -5.877 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.093 11.951 -5.042 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.425 11.276 -3.876 1.00 0.00 C ATOM 0 HA PRO A 111 -7.890 12.784 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.332 13.374 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.629 11.775 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.766 12.739 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.694 11.242 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.031 11.343 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.255 10.217 -4.068 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.730 15.245 -5.460 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.805 16.684 -5.232 1.00 0.00 C ATOM 1703 C LEU A 112 -9.936 17.306 -6.045 1.00 0.00 C ATOM 1704 O LEU A 112 -10.683 16.603 -6.725 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.476 17.347 -5.596 1.00 0.00 C ATOM 1706 CG LEU A 112 -6.337 17.165 -4.592 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -6.773 17.609 -3.204 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.874 15.715 -4.568 1.00 0.00 C ATOM 0 H LEU A 112 -8.439 14.982 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.009 16.849 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.150 16.956 -6.560 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.650 18.415 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.500 17.789 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.950 17.472 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.056 18.661 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.626 17.012 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.063 15.604 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.706 15.072 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.521 15.429 -5.559 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.698 10.327 -7.619 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.520 10.603 -6.806 1.00 0.00 C ATOM 1802 C ALA A 118 -5.243 10.475 -7.630 1.00 0.00 C ATOM 1803 O ALA A 118 -5.210 9.763 -8.633 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.474 9.667 -5.608 1.00 0.00 C ATOM 0 HA ALA A 118 -6.589 11.630 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.589 9.885 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.367 9.810 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.433 8.634 -5.954 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.194 11.169 -7.199 1.00 0.00 N ATOM 1811 CA GLU A 119 -2.915 11.132 -7.898 1.00 0.00 C ATOM 1812 C GLU A 119 -2.274 9.752 -7.790 1.00 0.00 C ATOM 1813 O GLU A 119 -1.512 9.338 -8.664 1.00 0.00 O ATOM 1814 CB GLU A 119 -1.968 12.192 -7.332 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.625 13.546 -7.123 1.00 0.00 C ATOM 1816 CD GLU A 119 -1.832 14.681 -7.743 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -0.642 14.832 -7.397 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -2.403 15.418 -8.574 1.00 0.00 O ATOM 0 H GLU A 119 -4.205 11.763 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.100 11.345 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.570 11.840 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.121 12.309 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.626 13.530 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.740 13.729 -6.055 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.589 9.043 -6.711 1.00 0.00 N ATOM 1826 CA TYR A 120 -2.043 7.711 -6.485 1.00 0.00 C ATOM 1827 C TYR A 120 -3.096 6.639 -6.746 1.00 0.00 C ATOM 1828 O TYR A 120 -4.166 6.643 -6.137 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.517 7.588 -5.054 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.634 8.740 -4.632 1.00 0.00 C ATOM 1831 CD1 TYR A 120 -1.183 9.922 -4.149 1.00 0.00 C ATOM 1832 CD2 TYR A 120 0.750 8.647 -4.715 1.00 0.00 C ATOM 1833 CE1 TYR A 120 -0.380 10.977 -3.763 1.00 0.00 C ATOM 1834 CE2 TYR A 120 1.561 9.697 -4.330 1.00 0.00 C ATOM 1835 CZ TYR A 120 0.991 10.860 -3.855 1.00 0.00 C ATOM 1836 OH TYR A 120 1.795 11.909 -3.471 1.00 0.00 O ATOM 0 H TYR A 120 -3.220 9.370 -5.979 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.218 7.561 -7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.363 7.520 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.956 6.658 -4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -2.256 10.017 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.199 7.738 -5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -0.823 11.889 -3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.635 9.608 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 120 2.734 11.631 -3.507 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.785 5.720 -7.656 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.704 4.642 -7.997 1.00 0.00 C ATOM 1848 C GLU A 121 -2.943 3.408 -8.475 1.00 0.00 C ATOM 1849 O GLU A 121 -1.953 3.518 -9.199 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.683 5.100 -9.080 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.904 5.820 -8.531 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.839 6.299 -9.624 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.360 6.963 -10.567 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -8.051 6.009 -9.537 1.00 0.00 O ATOM 0 H GLU A 121 -1.904 5.701 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.263 4.379 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.162 5.761 -9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.010 4.232 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.445 5.151 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.581 6.673 -7.935 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.411 2.235 -8.063 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.773 0.981 -8.445 1.00 0.00 C ATOM 1863 C TYR A 122 -3.807 -0.028 -8.936 1.00 0.00 C ATOM 1864 O TYR A 122 -4.983 0.299 -9.093 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.997 0.398 -7.263 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.168 1.421 -6.520 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.728 2.200 -5.514 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.174 1.611 -6.823 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.975 3.136 -4.832 1.00 0.00 C ATOM 1870 CE2 TYR A 122 0.935 2.544 -6.146 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.356 3.304 -5.152 1.00 0.00 C ATOM 1872 OH TYR A 122 1.110 4.235 -4.476 1.00 0.00 O ATOM 0 H TYR A 122 -4.230 2.126 -7.465 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.079 1.189 -9.259 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.700 -0.061 -6.568 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.342 -0.395 -7.624 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.770 2.071 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.631 1.019 -7.602 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.426 3.733 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.978 2.677 -6.394 1.00 0.00 H new ATOM 0 HH TYR A 122 2.027 4.227 -4.822 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.358 -1.256 -9.177 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.243 -2.313 -9.650 1.00 0.00 C ATOM 1884 C GLU A 123 -3.659 -3.689 -9.346 1.00 0.00 C ATOM 1885 O GLU A 123 -2.707 -4.128 -9.992 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.485 -2.171 -11.155 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.415 -3.229 -11.724 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.420 -3.246 -13.240 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.227 -2.172 -13.847 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -5.617 -4.335 -13.820 1.00 0.00 O ATOM 0 H GLU A 123 -2.387 -1.543 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.194 -2.217 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.904 -1.185 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.528 -2.223 -11.675 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.114 -4.209 -11.354 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.428 -3.050 -11.363 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.235 -4.366 -8.357 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.772 -5.692 -7.967 1.00 0.00 C ATOM 1899 C VAL A 124 -3.695 -6.624 -9.171 1.00 0.00 C ATOM 1900 O VAL A 124 -4.716 -6.980 -9.762 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.696 -6.318 -6.905 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.192 -7.697 -6.505 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.805 -5.409 -5.691 1.00 0.00 C ATOM 0 H VAL A 124 -5.023 -4.017 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.775 -5.568 -7.544 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.691 -6.431 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.857 -8.124 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.171 -8.345 -7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.187 -7.611 -6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.462 -5.867 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.816 -5.262 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.216 -4.446 -5.993 1.00 0.00 H new ATOM 1913 N THR A 125 -2.478 -7.017 -9.532 1.00 0.00 N ATOM 1914 CA THR A 125 -2.266 -7.907 -10.666 1.00 0.00 C ATOM 1915 C THR A 125 -1.157 -8.912 -10.377 1.00 0.00 C ATOM 1916 O THR A 125 -0.208 -8.611 -9.654 1.00 0.00 O ATOM 1917 CB THR A 125 -1.910 -7.119 -11.940 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.923 -7.991 -13.076 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.541 -6.469 -11.809 1.00 0.00 C ATOM 0 H THR A 125 -1.623 -6.732 -9.054 1.00 0.00 H new ATOM 0 HA THR A 125 -3.203 -8.441 -10.828 1.00 0.00 H new ATOM 0 HB THR A 125 -2.655 -6.336 -12.076 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.697 -7.481 -13.882 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.311 -5.918 -12.721 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.543 -5.783 -10.962 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.214 -7.239 -11.650 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.284 -10.106 -10.947 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.290 -11.155 -10.750 1.00 0.00 C ATOM 1929 C GLU A 126 0.653 -11.244 -11.946 1.00 0.00 C ATOM 1930 O GLU A 126 0.285 -11.759 -13.002 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.978 -12.504 -10.527 1.00 0.00 C ATOM 1932 CG GLU A 126 -0.088 -13.537 -9.857 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.826 -14.822 -9.534 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -2.001 -14.950 -9.940 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.229 -15.700 -8.876 1.00 0.00 O ATOM 0 H GLU A 126 -2.064 -10.371 -11.548 1.00 0.00 H new ATOM 0 HA GLU A 126 0.296 -10.903 -9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.868 -12.352 -9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.314 -12.894 -11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.756 -13.761 -10.509 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.322 -13.117 -8.938 1.00 0.00 H new ATOM 1942 N GLU A 127 1.870 -10.738 -11.772 1.00 0.00 N ATOM 1943 CA GLU A 127 2.865 -10.759 -12.838 1.00 0.00 C ATOM 1944 C GLU A 127 4.178 -11.359 -12.344 1.00 0.00 C ATOM 1945 O GLU A 127 4.531 -11.228 -11.172 1.00 0.00 O ATOM 1946 CB GLU A 127 3.105 -9.345 -13.369 1.00 0.00 C ATOM 1947 CG GLU A 127 1.827 -8.559 -13.609 1.00 0.00 C ATOM 1948 CD GLU A 127 1.762 -7.961 -15.001 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.711 -7.247 -15.386 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.761 -8.209 -15.706 1.00 0.00 O ATOM 0 H GLU A 127 2.190 -10.309 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 127 2.482 -11.382 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.728 -8.801 -12.660 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.664 -9.407 -14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.969 -9.214 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.752 -7.761 -12.871 1.00 0.00 H new ATOM 1957 N ASP A 128 4.897 -12.017 -13.247 1.00 0.00 N ATOM 1958 CA ASP A 128 6.172 -12.637 -12.904 1.00 0.00 C ATOM 1959 C ASP A 128 7.201 -11.582 -12.510 1.00 0.00 C ATOM 1960 O ASP A 128 7.114 -10.429 -12.932 1.00 0.00 O ATOM 1961 CB ASP A 128 6.694 -13.462 -14.082 1.00 0.00 C ATOM 1962 CG ASP A 128 5.804 -14.648 -14.398 1.00 0.00 C ATOM 1963 OD1 ASP A 128 6.030 -15.730 -13.818 1.00 0.00 O ATOM 1964 OD2 ASP A 128 4.882 -14.494 -15.226 1.00 0.00 O ATOM 0 H ASP A 128 4.619 -12.135 -14.221 1.00 0.00 H new ATOM 0 HA ASP A 128 6.010 -13.296 -12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.771 -12.824 -14.963 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.700 -13.816 -13.856 1.00 0.00 H new ATOM 1969 N TRP A 129 8.173 -11.985 -11.700 1.00 0.00 N ATOM 1970 CA TRP A 129 9.218 -11.074 -11.248 1.00 0.00 C ATOM 1971 C TRP A 129 9.964 -10.470 -12.433 1.00 0.00 C ATOM 1972 O TRP A 129 10.410 -9.325 -12.377 1.00 0.00 O ATOM 1973 CB TRP A 129 10.199 -11.805 -10.331 1.00 0.00 C ATOM 1974 CG TRP A 129 11.480 -11.057 -10.113 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.693 -11.327 -10.678 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.672 -9.916 -9.270 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.629 -10.423 -10.236 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.028 -9.547 -9.372 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.832 -9.169 -8.440 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.559 -8.465 -8.674 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.361 -8.096 -7.748 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.714 -7.752 -7.869 1.00 0.00 C ATOM 0 H TRP A 129 8.259 -12.936 -11.343 1.00 0.00 H new ATOM 0 HA TRP A 129 8.744 -10.266 -10.691 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.721 -11.982 -9.367 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.425 -12.782 -10.758 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.888 -12.132 -11.370 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.612 -10.407 -10.508 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.788 -9.426 -8.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.602 -8.198 -8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.721 -7.513 -7.103 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.097 -6.907 -7.316 1.00 0.00 H new ATOM 1993 N GLU A 130 10.094 -11.248 -13.503 1.00 0.00 N ATOM 1994 CA GLU A 130 10.787 -10.787 -14.701 1.00 0.00 C ATOM 1995 C GLU A 130 9.936 -9.779 -15.468 1.00 0.00 C ATOM 1996 O GLU A 130 10.392 -9.177 -16.441 1.00 0.00 O ATOM 1997 CB GLU A 130 11.131 -11.973 -15.605 1.00 0.00 C ATOM 1998 CG GLU A 130 11.725 -13.156 -14.859 1.00 0.00 C ATOM 1999 CD GLU A 130 12.928 -13.747 -15.566 1.00 0.00 C ATOM 2000 OE1 GLU A 130 12.928 -13.777 -16.814 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.871 -14.180 -14.871 1.00 0.00 O ATOM 0 H GLU A 130 9.729 -12.199 -13.565 1.00 0.00 H new ATOM 0 HA GLU A 130 11.709 -10.296 -14.390 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.229 -12.297 -16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.836 -11.644 -16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.016 -12.840 -13.857 1.00 0.00 H new ATOM 0 HG3 GLU A 130 10.963 -13.926 -14.741 1.00 0.00 H new ATOM 2008 N THR A 131 8.697 -9.599 -15.022 1.00 0.00 N ATOM 2009 CA THR A 131 7.781 -8.665 -15.666 1.00 0.00 C ATOM 2010 C THR A 131 7.711 -7.348 -14.902 1.00 0.00 C ATOM 2011 O THR A 131 7.533 -6.284 -15.495 1.00 0.00 O ATOM 2012 CB THR A 131 6.363 -9.257 -15.779 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.392 -10.453 -16.565 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.407 -8.254 -16.407 1.00 0.00 C ATOM 0 H THR A 131 8.304 -10.088 -14.217 1.00 0.00 H new ATOM 0 HA THR A 131 8.170 -8.480 -16.667 1.00 0.00 H new ATOM 0 HB THR A 131 6.010 -9.492 -14.775 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.487 -10.824 -16.630 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.412 -8.694 -16.477 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.364 -7.356 -15.790 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.758 -7.992 -17.405 1.00 0.00 H new ATOM 2022 N ILE A 132 7.852 -7.427 -13.583 1.00 0.00 N ATOM 2023 CA ILE A 132 7.807 -6.240 -12.738 1.00 0.00 C ATOM 2024 C ILE A 132 9.210 -5.733 -12.427 1.00 0.00 C ATOM 2025 O ILE A 132 9.390 -4.588 -12.009 1.00 0.00 O ATOM 2026 CB ILE A 132 7.068 -6.519 -11.416 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.712 -7.172 -11.691 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.891 -5.230 -10.627 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.173 -7.961 -10.518 1.00 0.00 C ATOM 0 H ILE A 132 7.998 -8.300 -13.077 1.00 0.00 H new ATOM 0 HA ILE A 132 7.263 -5.476 -13.294 1.00 0.00 H new ATOM 0 HB ILE A 132 7.667 -7.208 -10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.993 -6.398 -11.959 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.804 -7.834 -12.552 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.367 -5.443 -9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.869 -4.803 -10.404 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.310 -4.520 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.210 -8.396 -10.784 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.872 -8.757 -10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.048 -7.299 -9.661 1.00 0.00 H new ATOM 2041 N TYR A 133 10.203 -6.591 -12.634 1.00 0.00 N ATOM 2042 CA TYR A 133 11.592 -6.230 -12.375 1.00 0.00 C ATOM 2043 C TYR A 133 11.970 -4.951 -13.116 1.00 0.00 C ATOM 2044 O TYR A 133 12.416 -3.968 -12.523 1.00 0.00 O ATOM 2045 CB TYR A 133 12.523 -7.369 -12.793 1.00 0.00 C ATOM 2046 CG TYR A 133 13.897 -6.903 -13.218 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.634 -6.033 -12.424 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.459 -7.333 -14.414 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.889 -5.604 -12.809 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.714 -6.910 -14.807 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.425 -6.045 -14.001 1.00 0.00 C ATOM 2052 OH TYR A 133 17.676 -5.621 -14.388 1.00 0.00 O ATOM 0 H TYR A 133 10.072 -7.541 -12.980 1.00 0.00 H new ATOM 0 HA TYR A 133 11.702 -6.054 -11.305 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.626 -8.066 -11.962 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.065 -7.919 -13.615 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.218 -5.686 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.905 -8.010 -15.047 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.448 -4.927 -12.180 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.136 -7.254 -15.740 1.00 0.00 H new ATOM 0 HH TYR A 133 17.906 -6.025 -15.251 1.00 0.00 H new ATOM 2062 N PRO A 134 11.786 -4.962 -14.444 1.00 0.00 N ATOM 2063 CA PRO A 134 12.100 -3.811 -15.296 1.00 0.00 C ATOM 2064 C PRO A 134 11.445 -2.527 -14.800 1.00 0.00 C ATOM 2065 O PRO A 134 12.090 -1.481 -14.720 1.00 0.00 O ATOM 2066 CB PRO A 134 11.528 -4.212 -16.659 1.00 0.00 C ATOM 2067 CG PRO A 134 11.545 -5.701 -16.653 1.00 0.00 C ATOM 2068 CD PRO A 134 11.258 -6.099 -15.217 1.00 0.00 C ATOM 0 HA PRO A 134 13.168 -3.596 -15.313 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.517 -3.828 -16.792 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.131 -3.812 -17.475 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.794 -6.106 -17.331 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.511 -6.085 -16.982 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.192 -6.244 -15.044 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.754 -7.033 -14.951 1.00 0.00 H new ATOM 2076 N CYS A 135 10.161 -2.613 -14.469 1.00 0.00 N ATOM 2077 CA CYS A 135 9.418 -1.457 -13.981 1.00 0.00 C ATOM 2078 C CYS A 135 9.032 -1.637 -12.516 1.00 0.00 C ATOM 2079 O CYS A 135 7.850 -1.662 -12.173 1.00 0.00 O ATOM 2080 CB CYS A 135 8.164 -1.235 -14.828 1.00 0.00 C ATOM 2081 SG CYS A 135 8.464 -1.258 -16.610 1.00 0.00 S ATOM 0 H CYS A 135 9.613 -3.471 -14.530 1.00 0.00 H new ATOM 0 HA CYS A 135 10.062 -0.582 -14.063 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.432 -2.005 -14.584 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.721 -0.277 -14.557 1.00 0.00 H new ATOM 0 HG CYS A 135 7.344 -1.064 -17.241 1.00 0.00 H new ATOM 2087 N LEU A 136 10.037 -1.764 -11.657 1.00 0.00 N ATOM 2088 CA LEU A 136 9.804 -1.944 -10.228 1.00 0.00 C ATOM 2089 C LEU A 136 9.634 -0.599 -9.530 1.00 0.00 C ATOM 2090 O LEU A 136 9.918 0.451 -10.107 1.00 0.00 O ATOM 2091 CB LEU A 136 10.962 -2.718 -9.595 1.00 0.00 C ATOM 2092 CG LEU A 136 10.637 -4.128 -9.101 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.843 -4.740 -8.405 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.436 -4.102 -8.168 1.00 0.00 C ATOM 0 H LEU A 136 11.021 -1.746 -11.925 1.00 0.00 H new ATOM 0 HA LEU A 136 8.884 -2.515 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.768 -2.787 -10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.343 -2.139 -8.754 1.00 0.00 H new ATOM 0 HG LEU A 136 10.388 -4.747 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.594 -5.743 -8.060 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.678 -4.794 -9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.123 -4.122 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.219 -5.114 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.656 -3.468 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.571 -3.705 -8.699 1.00 0.00 H new ATOM 2106 N SER A 137 9.171 -0.638 -8.284 1.00 0.00 N ATOM 2107 CA SER A 137 8.962 0.578 -7.508 1.00 0.00 C ATOM 2108 C SER A 137 10.170 0.871 -6.622 1.00 0.00 C ATOM 2109 O SER A 137 10.986 -0.004 -6.331 1.00 0.00 O ATOM 2110 CB SER A 137 7.704 0.450 -6.647 1.00 0.00 C ATOM 2111 OG SER A 137 7.947 0.884 -5.321 1.00 0.00 O ATOM 0 H SER A 137 8.934 -1.499 -7.791 1.00 0.00 H new ATOM 0 HA SER A 137 8.834 1.406 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.899 1.040 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.370 -0.587 -6.638 1.00 0.00 H new ATOM 0 HG SER A 137 7.711 0.169 -4.694 1.00 0.00 H new ATOM 2117 N PRO A 138 10.288 2.133 -6.183 1.00 0.00 N ATOM 2118 CA PRO A 138 11.391 2.572 -5.324 1.00 0.00 C ATOM 2119 C PRO A 138 11.300 1.988 -3.919 1.00 0.00 C ATOM 2120 O PRO A 138 10.580 2.506 -3.064 1.00 0.00 O ATOM 2121 CB PRO A 138 11.225 4.093 -5.282 1.00 0.00 C ATOM 2122 CG PRO A 138 9.778 4.324 -5.552 1.00 0.00 C ATOM 2123 CD PRO A 138 9.352 3.228 -6.490 1.00 0.00 C ATOM 0 HA PRO A 138 12.358 2.245 -5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.516 4.496 -4.312 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.850 4.580 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.199 4.295 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.616 5.305 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.317 2.932 -6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.426 3.540 -7.532 1.00 0.00 H new ATOM 2131 N LYS A 139 12.034 0.905 -3.684 1.00 0.00 N ATOM 2132 CA LYS A 139 12.038 0.250 -2.382 1.00 0.00 C ATOM 2133 C LYS A 139 12.878 1.037 -1.380 1.00 0.00 C ATOM 2134 O LYS A 139 14.097 1.135 -1.519 1.00 0.00 O ATOM 2135 CB LYS A 139 12.578 -1.176 -2.507 1.00 0.00 C ATOM 2136 CG LYS A 139 11.493 -2.224 -2.681 1.00 0.00 C ATOM 2137 CD LYS A 139 12.051 -3.632 -2.553 1.00 0.00 C ATOM 2138 CE LYS A 139 11.025 -4.678 -2.962 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.372 -6.028 -2.439 1.00 0.00 N ATOM 0 H LYS A 139 12.634 0.462 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 139 11.011 0.212 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.258 -1.225 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.162 -1.414 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.715 -2.071 -1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.024 -2.105 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.940 -3.730 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.362 -3.809 -1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.042 -4.387 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.958 -4.716 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 10.539 -6.648 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.145 -6.432 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.675 -5.949 -1.447 1.00 0.00 H new ATOM 2153 N SER A 140 12.217 1.593 -0.369 1.00 0.00 N ATOM 2154 CA SER A 140 12.903 2.373 0.655 1.00 0.00 C ATOM 2155 C SER A 140 13.654 1.461 1.620 1.00 0.00 C ATOM 2156 O SER A 140 14.645 1.863 2.228 1.00 0.00 O ATOM 2157 CB SER A 140 11.901 3.234 1.426 1.00 0.00 C ATOM 2158 OG SER A 140 12.373 3.521 2.731 1.00 0.00 O ATOM 0 H SER A 140 11.208 1.518 -0.237 1.00 0.00 H new ATOM 0 HA SER A 140 13.625 3.022 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.726 4.165 0.886 1.00 0.00 H new ATOM 0 HB3 SER A 140 10.944 2.716 1.488 1.00 0.00 H new ATOM 0 HG SER A 140 11.815 3.058 3.390 1.00 0.00 H new