USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 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= -1.13 K(o=-1.1,f=-2.8!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0.0406 USER MOD Set 2.1: A 48 TYR OH : rot -178:sc= -0.575 USER MOD Set 2.2: A 139 LYS NZ :NH3+ -148:sc= -0.11 (180deg=-0.746) USER MOD Set 3.1: A 39 THR OG1 : rot -146:sc= -0.895 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -45:sc= -0.0525 USER MOD Single : A 25 MET CE :methyl -147:sc= -1.12 (180deg=-3.11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 162:sc= 0.587 USER MOD Single : A 49 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.7) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 144:sc= 0.31 USER MOD Single : A 58 MET CE :methyl -144:sc= -1.98 (180deg=-6.09!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-6!) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0606 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.766 K(o=-0.77,f=-5.4!) USER MOD Single : A 69 ASN : amide:sc= -1.51! C(o=-1.5!,f=-9.4!) USER MOD Single : A 73 GLN : amide:sc= -0.535 K(o=-0.54,f=-3.1!) USER MOD Single : A 75 THR OG1 : rot -29:sc= 0.477 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 60:sc= -1.08 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.4!) USER MOD Single : A 98 TYR OH : rot 45:sc= -0.0244 USER MOD Single : A 99 SER OG : rot 180:sc= 0.117 USER MOD Single : A 101 HIS : no HD1:sc= -0.546 X(o=-0.55,f=-0.88) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -4.6! C(o=-4.6!,f=-8.4!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot -80:sc= -0.571 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 -142:sc= 0.25 USER MOD Single : A 140 SER OG : rot -53:sc= 0.0683 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.646 -18.172 -9.065 1.00 0.00 N ATOM 157 CA GLY A 15 7.196 -18.145 -9.114 1.00 0.00 C ATOM 158 C GLY A 15 6.646 -16.737 -9.224 1.00 0.00 C ATOM 159 O GLY A 15 7.306 -15.773 -8.835 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.853 -18.733 -9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.796 -18.619 -8.217 1.00 0.00 H new ATOM 163 N ARG A 16 5.434 -16.617 -9.756 1.00 0.00 N ATOM 164 CA ARG A 16 4.797 -15.316 -9.918 1.00 0.00 C ATOM 165 C ARG A 16 4.802 -14.539 -8.605 1.00 0.00 C ATOM 166 O ARG A 16 4.872 -15.127 -7.525 1.00 0.00 O ATOM 167 CB ARG A 16 3.360 -15.486 -10.416 1.00 0.00 C ATOM 168 CG ARG A 16 3.226 -15.407 -11.928 1.00 0.00 C ATOM 169 CD ARG A 16 3.199 -16.791 -12.558 1.00 0.00 C ATOM 170 NE ARG A 16 3.720 -16.782 -13.923 1.00 0.00 N ATOM 171 CZ ARG A 16 3.020 -16.371 -14.974 1.00 0.00 C ATOM 172 NH1 ARG A 16 1.776 -15.939 -14.819 1.00 0.00 N ATOM 173 NH2 ARG A 16 3.563 -16.393 -16.184 1.00 0.00 N ATOM 0 H ARG A 16 4.874 -17.405 -10.082 1.00 0.00 H new ATOM 0 HA ARG A 16 5.367 -14.751 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.978 -16.448 -10.076 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.734 -14.717 -9.964 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.313 -14.871 -12.186 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.058 -14.835 -12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.788 -17.478 -11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.176 -17.167 -12.563 1.00 0.00 H new ATOM 0 HE ARG A 16 4.674 -17.109 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.354 -15.922 -13.891 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.241 -15.624 -15.628 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.519 -16.726 -16.308 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.024 -16.077 -16.991 1.00 0.00 H new ATOM 187 N SER A 17 4.728 -13.216 -8.705 1.00 0.00 N ATOM 188 CA SER A 17 4.729 -12.359 -7.525 1.00 0.00 C ATOM 189 C SER A 17 3.747 -11.203 -7.693 1.00 0.00 C ATOM 190 O SER A 17 3.963 -10.305 -8.506 1.00 0.00 O ATOM 191 CB SER A 17 6.135 -11.815 -7.265 1.00 0.00 C ATOM 192 OG SER A 17 6.809 -12.590 -6.288 1.00 0.00 O ATOM 0 H SER A 17 4.667 -12.714 -9.591 1.00 0.00 H new ATOM 0 HA SER A 17 4.415 -12.958 -6.670 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.707 -11.817 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.072 -10.779 -6.932 1.00 0.00 H new ATOM 0 HG SER A 17 7.706 -12.223 -6.141 1.00 0.00 H new ATOM 198 N TRP A 18 2.669 -11.234 -6.918 1.00 0.00 N ATOM 199 CA TRP A 18 1.653 -10.190 -6.979 1.00 0.00 C ATOM 200 C TRP A 18 2.284 -8.808 -6.843 1.00 0.00 C ATOM 201 O TRP A 18 3.461 -8.684 -6.502 1.00 0.00 O ATOM 202 CB TRP A 18 0.610 -10.399 -5.880 1.00 0.00 C ATOM 203 CG TRP A 18 -0.236 -11.618 -6.088 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.135 -12.917 -5.887 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.594 -11.652 -6.540 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.911 -13.756 -6.186 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.983 -13.005 -6.588 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.520 -10.672 -6.906 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.257 -13.399 -6.989 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.784 -11.064 -7.304 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.143 -12.418 -7.342 1.00 0.00 C ATOM 0 H TRP A 18 2.476 -11.971 -6.240 1.00 0.00 H new ATOM 0 HA TRP A 18 1.163 -10.251 -7.951 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.117 -10.477 -4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.035 -9.522 -5.830 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.108 -13.237 -5.544 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.892 -14.774 -6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.253 -9.626 -6.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.536 -14.442 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.507 -10.315 -7.590 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.139 -12.693 -7.656 1.00 0.00 H new ATOM 222 N CYS A 19 1.495 -7.774 -7.112 1.00 0.00 N ATOM 223 CA CYS A 19 1.978 -6.400 -7.019 1.00 0.00 C ATOM 224 C CYS A 19 0.838 -5.408 -7.227 1.00 0.00 C ATOM 225 O CYS A 19 -0.315 -5.801 -7.409 1.00 0.00 O ATOM 226 CB CYS A 19 3.079 -6.154 -8.051 1.00 0.00 C ATOM 227 SG CYS A 19 2.489 -6.088 -9.759 1.00 0.00 S ATOM 0 H CYS A 19 0.519 -7.860 -7.396 1.00 0.00 H new ATOM 0 HA CYS A 19 2.387 -6.251 -6.020 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.580 -5.215 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.825 -6.944 -7.966 1.00 0.00 H new ATOM 0 HG CYS A 19 1.654 -7.063 -9.968 1.00 0.00 H new ATOM 233 N LEU A 20 1.168 -4.122 -7.198 1.00 0.00 N ATOM 234 CA LEU A 20 0.171 -3.072 -7.382 1.00 0.00 C ATOM 235 C LEU A 20 0.521 -2.193 -8.578 1.00 0.00 C ATOM 236 O LEU A 20 1.188 -1.168 -8.433 1.00 0.00 O ATOM 237 CB LEU A 20 0.064 -2.217 -6.119 1.00 0.00 C ATOM 238 CG LEU A 20 -0.118 -2.978 -4.805 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.218 -2.086 -3.620 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.539 -3.510 -4.689 1.00 0.00 C ATOM 0 H LEU A 20 2.118 -3.781 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.791 -3.547 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.964 -1.607 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.776 -1.532 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 20 0.567 -3.826 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.083 -2.645 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.254 -1.755 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.441 -1.218 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.650 -4.049 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.242 -2.678 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.744 -4.185 -5.520 1.00 0.00 H new ATOM 252 N ARG A 21 0.066 -2.599 -9.758 1.00 0.00 N ATOM 253 CA ARG A 21 0.330 -1.847 -10.979 1.00 0.00 C ATOM 254 C ARG A 21 -0.213 -0.425 -10.870 1.00 0.00 C ATOM 255 O ARG A 21 -1.422 -0.219 -10.762 1.00 0.00 O ATOM 256 CB ARG A 21 -0.295 -2.553 -12.184 1.00 0.00 C ATOM 257 CG ARG A 21 0.719 -3.253 -13.073 1.00 0.00 C ATOM 258 CD ARG A 21 0.091 -3.710 -14.381 1.00 0.00 C ATOM 259 NE ARG A 21 0.037 -2.634 -15.367 1.00 0.00 N ATOM 260 CZ ARG A 21 -0.175 -2.835 -16.663 1.00 0.00 C ATOM 261 NH1 ARG A 21 -0.352 -4.065 -17.126 1.00 0.00 N ATOM 262 NH2 ARG A 21 -0.211 -1.805 -17.498 1.00 0.00 N ATOM 0 H ARG A 21 -0.487 -3.445 -9.895 1.00 0.00 H new ATOM 0 HA ARG A 21 1.410 -1.795 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.021 -3.285 -11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.843 -1.822 -12.778 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.548 -2.578 -13.283 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.133 -4.113 -12.547 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.663 -4.544 -14.786 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.917 -4.078 -14.190 1.00 0.00 H new ATOM 0 HE ARG A 21 0.169 -1.676 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.326 -4.859 -16.487 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.515 -4.217 -18.121 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.076 -0.858 -17.145 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.374 -1.960 -18.493 1.00 0.00 H new ATOM 276 N ARG A 22 0.688 0.551 -10.899 1.00 0.00 N ATOM 277 CA ARG A 22 0.299 1.953 -10.802 1.00 0.00 C ATOM 278 C ARG A 22 -0.578 2.357 -11.984 1.00 0.00 C ATOM 279 O ARG A 22 -0.105 2.461 -13.115 1.00 0.00 O ATOM 280 CB ARG A 22 1.540 2.846 -10.746 1.00 0.00 C ATOM 281 CG ARG A 22 1.220 4.325 -10.603 1.00 0.00 C ATOM 282 CD ARG A 22 0.972 4.703 -9.151 1.00 0.00 C ATOM 283 NE ARG A 22 0.847 6.147 -8.975 1.00 0.00 N ATOM 284 CZ ARG A 22 1.886 6.970 -8.889 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.121 6.493 -8.962 1.00 0.00 N ATOM 286 NH2 ARG A 22 1.691 8.272 -8.729 1.00 0.00 N ATOM 0 H ARG A 22 1.692 0.397 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.275 2.082 -9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.163 2.535 -9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.127 2.696 -11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.045 4.917 -10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.340 4.567 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.063 4.215 -8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.791 4.332 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.090 6.546 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.275 5.492 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.917 7.127 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.742 8.642 -8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.490 8.903 -8.663 1.00 0.00 H new ATOM 300 N VAL A 23 -1.860 2.582 -11.712 1.00 0.00 N ATOM 301 CA VAL A 23 -2.804 2.975 -12.752 1.00 0.00 C ATOM 302 C VAL A 23 -2.370 4.270 -13.427 1.00 0.00 C ATOM 303 O VAL A 23 -2.074 5.261 -12.761 1.00 0.00 O ATOM 304 CB VAL A 23 -4.223 3.156 -12.182 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.185 3.598 -13.274 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.702 1.870 -11.527 1.00 0.00 C ATOM 0 H VAL A 23 -2.268 2.499 -10.781 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.816 2.172 -13.489 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.193 3.935 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.183 3.721 -12.852 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.849 4.547 -13.693 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.214 2.844 -14.061 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.706 2.016 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.717 1.069 -12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.026 1.602 -10.715 1.00 0.00 H new ATOM 316 N GLY A 24 -2.334 4.256 -14.756 1.00 0.00 N ATOM 317 CA GLY A 24 -1.935 5.436 -15.501 1.00 0.00 C ATOM 318 C GLY A 24 -0.429 5.559 -15.630 1.00 0.00 C ATOM 319 O GLY A 24 0.090 6.637 -15.915 1.00 0.00 O ATOM 0 H GLY A 24 -2.574 3.448 -15.330 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.380 5.402 -16.495 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.328 6.324 -15.006 1.00 0.00 H new ATOM 323 N MET A 25 0.273 4.451 -15.417 1.00 0.00 N ATOM 324 CA MET A 25 1.729 4.440 -15.511 1.00 0.00 C ATOM 325 C MET A 25 2.260 3.011 -15.552 1.00 0.00 C ATOM 326 O MET A 25 1.650 2.096 -14.998 1.00 0.00 O ATOM 327 CB MET A 25 2.343 5.191 -14.329 1.00 0.00 C ATOM 328 CG MET A 25 2.903 6.555 -14.700 1.00 0.00 C ATOM 329 SD MET A 25 4.281 7.049 -13.647 1.00 0.00 S ATOM 330 CE MET A 25 3.602 6.720 -12.023 1.00 0.00 C ATOM 0 H MET A 25 -0.142 3.550 -15.178 1.00 0.00 H new ATOM 0 HA MET A 25 2.012 4.941 -16.437 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.585 5.317 -13.556 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.140 4.585 -13.899 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.232 6.538 -15.739 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.111 7.300 -14.629 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.995 7.445 -11.311 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.516 6.800 -12.060 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.882 5.715 -11.709 1.00 0.00 H new ATOM 340 N SER A 26 3.399 2.826 -16.211 1.00 0.00 N ATOM 341 CA SER A 26 4.010 1.507 -16.327 1.00 0.00 C ATOM 342 C SER A 26 5.178 1.362 -15.356 1.00 0.00 C ATOM 343 O SER A 26 5.984 0.439 -15.472 1.00 0.00 O ATOM 344 CB SER A 26 4.491 1.269 -17.760 1.00 0.00 C ATOM 345 OG SER A 26 4.487 -0.113 -18.076 1.00 0.00 O ATOM 0 H SER A 26 3.918 3.573 -16.673 1.00 0.00 H new ATOM 0 HA SER A 26 3.256 0.761 -16.075 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.848 1.807 -18.457 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.497 1.670 -17.881 1.00 0.00 H new ATOM 0 HG SER A 26 4.797 -0.239 -18.997 1.00 0.00 H new ATOM 351 N ALA A 27 5.262 2.281 -14.400 1.00 0.00 N ATOM 352 CA ALA A 27 6.329 2.255 -13.408 1.00 0.00 C ATOM 353 C ALA A 27 5.766 2.344 -11.993 1.00 0.00 C ATOM 354 O ALA A 27 4.551 2.345 -11.797 1.00 0.00 O ATOM 355 CB ALA A 27 7.311 3.390 -13.659 1.00 0.00 C ATOM 0 H ALA A 27 4.604 3.053 -14.292 1.00 0.00 H new ATOM 0 HA ALA A 27 6.856 1.305 -13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.103 3.358 -12.910 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.746 3.282 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.788 4.344 -13.594 1.00 0.00 H new ATOM 361 N GLY A 28 6.657 2.417 -11.009 1.00 0.00 N ATOM 362 CA GLY A 28 6.229 2.505 -9.625 1.00 0.00 C ATOM 363 C GLY A 28 5.404 1.308 -9.198 1.00 0.00 C ATOM 364 O GLY A 28 4.377 1.459 -8.536 1.00 0.00 O ATOM 0 H GLY A 28 7.668 2.417 -11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.105 2.587 -8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.644 3.414 -9.486 1.00 0.00 H new ATOM 368 N TRP A 29 5.851 0.116 -9.577 1.00 0.00 N ATOM 369 CA TRP A 29 5.145 -1.112 -9.229 1.00 0.00 C ATOM 370 C TRP A 29 5.602 -1.638 -7.873 1.00 0.00 C ATOM 371 O TRP A 29 6.796 -1.839 -7.645 1.00 0.00 O ATOM 372 CB TRP A 29 5.369 -2.175 -10.305 1.00 0.00 C ATOM 373 CG TRP A 29 4.739 -1.832 -11.621 1.00 0.00 C ATOM 374 CD1 TRP A 29 4.116 -0.663 -11.951 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.670 -2.667 -12.782 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.663 -0.720 -13.247 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.991 -1.939 -13.779 1.00 0.00 C ATOM 378 CE3 TRP A 29 5.118 -3.958 -13.077 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.750 -2.461 -15.047 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.877 -4.474 -14.336 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.199 -3.727 -15.308 1.00 0.00 C ATOM 0 H TRP A 29 6.699 -0.026 -10.125 1.00 0.00 H new ATOM 0 HA TRP A 29 4.081 -0.885 -9.169 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.440 -2.315 -10.449 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.967 -3.126 -9.955 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.997 0.183 -11.290 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.164 0.024 -13.734 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.643 -4.541 -12.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.227 -1.887 -15.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.217 -5.471 -14.575 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.027 -4.159 -16.283 1.00 0.00 H new ATOM 392 N LEU A 30 4.647 -1.859 -6.977 1.00 0.00 N ATOM 393 CA LEU A 30 4.953 -2.363 -5.642 1.00 0.00 C ATOM 394 C LEU A 30 4.865 -3.885 -5.601 1.00 0.00 C ATOM 395 O LEU A 30 3.775 -4.456 -5.661 1.00 0.00 O ATOM 396 CB LEU A 30 3.994 -1.757 -4.615 1.00 0.00 C ATOM 397 CG LEU A 30 4.110 -0.248 -4.398 1.00 0.00 C ATOM 398 CD1 LEU A 30 3.433 0.508 -5.531 1.00 0.00 C ATOM 399 CD2 LEU A 30 3.507 0.145 -3.057 1.00 0.00 C ATOM 0 H LEU A 30 3.655 -1.697 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 30 5.973 -2.070 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.973 -1.982 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.155 -2.255 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 30 5.167 0.019 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.526 1.580 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.909 0.249 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.378 0.237 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.598 1.222 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.454 -0.136 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.036 -0.370 -2.255 1.00 0.00 H new ATOM 411 N LEU A 31 6.018 -4.536 -5.497 1.00 0.00 N ATOM 412 CA LEU A 31 6.071 -5.993 -5.446 1.00 0.00 C ATOM 413 C LEU A 31 5.411 -6.518 -4.174 1.00 0.00 C ATOM 414 O LEU A 31 5.509 -5.902 -3.112 1.00 0.00 O ATOM 415 CB LEU A 31 7.522 -6.472 -5.515 1.00 0.00 C ATOM 416 CG LEU A 31 7.734 -7.985 -5.440 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.487 -8.626 -6.797 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.137 -8.303 -4.945 1.00 0.00 C ATOM 0 H LEU A 31 6.928 -4.079 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 31 5.524 -6.382 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.959 -6.110 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.076 -6.007 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 31 7.018 -8.399 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.642 -9.702 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.463 -8.428 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.179 -8.208 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.270 -9.384 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.870 -7.877 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.278 -7.877 -3.952 1.00 0.00 H new ATOM 430 N LEU A 32 4.741 -7.659 -4.290 1.00 0.00 N ATOM 431 CA LEU A 32 4.066 -8.269 -3.149 1.00 0.00 C ATOM 432 C LEU A 32 4.532 -9.707 -2.946 1.00 0.00 C ATOM 433 O LEU A 32 3.752 -10.647 -3.092 1.00 0.00 O ATOM 434 CB LEU A 32 2.550 -8.234 -3.351 1.00 0.00 C ATOM 435 CG LEU A 32 1.889 -6.861 -3.235 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.516 -6.873 -3.890 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.782 -6.442 -1.776 1.00 0.00 C ATOM 0 H LEU A 32 4.650 -8.181 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 32 4.321 -7.696 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.326 -8.641 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.091 -8.899 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 32 2.512 -6.134 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.060 -5.887 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.618 -7.128 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.116 -7.612 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.309 -5.462 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.182 -7.171 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.779 -6.393 -1.338 1.00 0.00 H new ATOM 449 N GLU A 33 5.807 -9.869 -2.606 1.00 0.00 N ATOM 450 CA GLU A 33 6.375 -11.193 -2.382 1.00 0.00 C ATOM 451 C GLU A 33 5.550 -11.973 -1.362 1.00 0.00 C ATOM 452 O GLU A 33 5.237 -11.468 -0.284 1.00 0.00 O ATOM 453 CB GLU A 33 7.822 -11.076 -1.901 1.00 0.00 C ATOM 454 CG GLU A 33 8.833 -11.685 -2.859 1.00 0.00 C ATOM 455 CD GLU A 33 10.183 -11.921 -2.210 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.507 -11.209 -1.237 1.00 0.00 O ATOM 457 OE2 GLU A 33 10.916 -12.818 -2.677 1.00 0.00 O ATOM 0 H GLU A 33 6.466 -9.100 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 33 6.357 -11.733 -3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.063 -10.023 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.914 -11.564 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.446 -12.631 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.957 -11.025 -3.718 1.00 0.00 H new ATOM 464 N ASP A 34 5.200 -13.206 -1.712 1.00 0.00 N ATOM 465 CA ASP A 34 4.412 -14.057 -0.828 1.00 0.00 C ATOM 466 C ASP A 34 5.111 -14.240 0.515 1.00 0.00 C ATOM 467 O ASP A 34 6.174 -14.854 0.595 1.00 0.00 O ATOM 468 CB ASP A 34 4.168 -15.419 -1.481 1.00 0.00 C ATOM 469 CG ASP A 34 3.536 -16.413 -0.526 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.258 -16.940 0.346 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.319 -16.663 -0.651 1.00 0.00 O ATOM 0 H ASP A 34 5.450 -13.638 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 34 3.453 -13.569 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.521 -15.292 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.114 -15.820 -1.844 1.00 0.00 H new ATOM 476 N GLY A 35 4.505 -13.702 1.570 1.00 0.00 N ATOM 477 CA GLY A 35 5.085 -13.817 2.896 1.00 0.00 C ATOM 478 C GLY A 35 5.972 -12.638 3.244 1.00 0.00 C ATOM 479 O GLY A 35 6.786 -12.716 4.165 1.00 0.00 O ATOM 0 H GLY A 35 3.624 -13.189 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.286 -13.897 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.667 -14.736 2.956 1.00 0.00 H new ATOM 483 N CYS A 36 5.817 -11.545 2.506 1.00 0.00 N ATOM 484 CA CYS A 36 6.613 -10.345 2.740 1.00 0.00 C ATOM 485 C CYS A 36 5.715 -9.136 2.986 1.00 0.00 C ATOM 486 O CYS A 36 4.936 -8.743 2.119 1.00 0.00 O ATOM 487 CB CYS A 36 7.533 -10.078 1.549 1.00 0.00 C ATOM 488 SG CYS A 36 9.053 -11.057 1.556 1.00 0.00 S ATOM 0 H CYS A 36 5.148 -11.464 1.741 1.00 0.00 H new ATOM 0 HA CYS A 36 7.221 -10.510 3.629 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.986 -10.282 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.795 -9.020 1.536 1.00 0.00 H new ATOM 0 HG CYS A 36 9.573 -11.060 0.364 1.00 0.00 H new ATOM 494 N GLU A 37 5.830 -8.553 4.175 1.00 0.00 N ATOM 495 CA GLU A 37 5.026 -7.391 4.536 1.00 0.00 C ATOM 496 C GLU A 37 5.377 -6.193 3.657 1.00 0.00 C ATOM 497 O GLU A 37 6.544 -5.824 3.528 1.00 0.00 O ATOM 498 CB GLU A 37 5.236 -7.035 6.009 1.00 0.00 C ATOM 499 CG GLU A 37 3.954 -6.661 6.733 1.00 0.00 C ATOM 500 CD GLU A 37 4.202 -5.772 7.937 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.220 -5.049 7.940 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.378 -5.799 8.875 1.00 0.00 O ATOM 0 H GLU A 37 6.471 -8.866 4.904 1.00 0.00 H new ATOM 0 HA GLU A 37 3.978 -7.643 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.696 -7.883 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.938 -6.203 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.286 -6.150 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.445 -7.569 7.055 1.00 0.00 H new ATOM 509 N VAL A 38 4.357 -5.591 3.053 1.00 0.00 N ATOM 510 CA VAL A 38 4.556 -4.436 2.187 1.00 0.00 C ATOM 511 C VAL A 38 3.856 -3.202 2.746 1.00 0.00 C ATOM 512 O VAL A 38 2.628 -3.106 2.723 1.00 0.00 O ATOM 513 CB VAL A 38 4.035 -4.706 0.762 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.218 -3.477 -0.115 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.738 -5.912 0.158 1.00 0.00 C ATOM 0 H VAL A 38 3.385 -5.885 3.148 1.00 0.00 H new ATOM 0 HA VAL A 38 5.630 -4.254 2.145 1.00 0.00 H new ATOM 0 HB VAL A 38 2.969 -4.926 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.845 -3.686 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.664 -2.640 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.276 -3.222 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.358 -6.088 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.811 -5.723 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.550 -6.790 0.776 1.00 0.00 H new ATOM 525 N THR A 39 4.645 -2.258 3.250 1.00 0.00 N ATOM 526 CA THR A 39 4.102 -1.030 3.816 1.00 0.00 C ATOM 527 C THR A 39 4.302 0.148 2.870 1.00 0.00 C ATOM 528 O THR A 39 5.345 0.271 2.228 1.00 0.00 O ATOM 529 CB THR A 39 4.754 -0.701 5.172 1.00 0.00 C ATOM 530 OG1 THR A 39 6.120 -0.318 4.979 1.00 0.00 O ATOM 531 CG2 THR A 39 4.684 -1.896 6.111 1.00 0.00 C ATOM 0 H THR A 39 5.663 -2.321 3.278 1.00 0.00 H new ATOM 0 HA THR A 39 3.035 -1.196 3.964 1.00 0.00 H new ATOM 0 HB THR A 39 4.206 0.127 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.656 -0.623 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.151 -1.639 7.062 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.641 -2.166 6.280 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.210 -2.740 5.665 1.00 0.00 H new ATOM 539 N VAL A 40 3.295 1.013 2.788 1.00 0.00 N ATOM 540 CA VAL A 40 3.362 2.183 1.920 1.00 0.00 C ATOM 541 C VAL A 40 3.057 3.459 2.695 1.00 0.00 C ATOM 542 O VAL A 40 2.224 3.464 3.601 1.00 0.00 O ATOM 543 CB VAL A 40 2.378 2.063 0.741 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.601 3.190 -0.256 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.518 0.707 0.065 1.00 0.00 C ATOM 0 H VAL A 40 2.424 0.925 3.312 1.00 0.00 H new ATOM 0 HA VAL A 40 4.379 2.232 1.531 1.00 0.00 H new ATOM 0 HB VAL A 40 1.362 2.147 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.897 3.089 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.446 4.149 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.620 3.140 -0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.815 0.640 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.535 0.591 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.304 -0.083 0.786 1.00 0.00 H new ATOM 555 N GLY A 41 3.736 4.543 2.332 1.00 0.00 N ATOM 556 CA GLY A 41 3.524 5.812 3.003 1.00 0.00 C ATOM 557 C GLY A 41 4.511 6.874 2.561 1.00 0.00 C ATOM 558 O GLY A 41 5.114 6.764 1.493 1.00 0.00 O ATOM 0 H GLY A 41 4.430 4.565 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.510 6.159 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.608 5.668 4.080 1.00 0.00 H new ATOM 562 N ARG A 42 4.674 7.906 3.382 1.00 0.00 N ATOM 563 CA ARG A 42 5.592 8.994 3.068 1.00 0.00 C ATOM 564 C ARG A 42 6.773 9.005 4.034 1.00 0.00 C ATOM 565 O ARG A 42 7.383 10.046 4.274 1.00 0.00 O ATOM 566 CB ARG A 42 4.862 10.338 3.122 1.00 0.00 C ATOM 567 CG ARG A 42 4.317 10.679 4.499 1.00 0.00 C ATOM 568 CD ARG A 42 4.129 12.179 4.668 1.00 0.00 C ATOM 569 NE ARG A 42 3.520 12.513 5.952 1.00 0.00 N ATOM 570 CZ ARG A 42 3.452 13.749 6.434 1.00 0.00 C ATOM 571 NH1 ARG A 42 3.953 14.762 5.742 1.00 0.00 N ATOM 572 NH2 ARG A 42 2.882 13.973 7.611 1.00 0.00 N ATOM 0 H ARG A 42 4.182 8.012 4.269 1.00 0.00 H new ATOM 0 HA ARG A 42 5.972 8.835 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.545 11.126 2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.039 10.324 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.364 10.172 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.000 10.308 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.095 12.677 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.504 12.559 3.860 1.00 0.00 H new ATOM 0 HE ARG A 42 3.125 11.756 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.392 14.594 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.899 15.710 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.496 13.196 8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.830 14.922 7.980 1.00 0.00 H new ATOM 586 N GLY A 43 7.089 7.838 4.588 1.00 0.00 N ATOM 587 CA GLY A 43 8.194 7.735 5.522 1.00 0.00 C ATOM 588 C GLY A 43 9.424 7.104 4.899 1.00 0.00 C ATOM 589 O GLY A 43 9.349 6.515 3.821 1.00 0.00 O ATOM 0 H GLY A 43 6.599 6.962 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.447 8.729 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.883 7.144 6.384 1.00 0.00 H new ATOM 593 N PHE A 44 10.559 7.228 5.578 1.00 0.00 N ATOM 594 CA PHE A 44 11.811 6.667 5.083 1.00 0.00 C ATOM 595 C PHE A 44 12.069 5.292 5.693 1.00 0.00 C ATOM 596 O PHE A 44 13.214 4.856 5.805 1.00 0.00 O ATOM 597 CB PHE A 44 12.976 7.606 5.402 1.00 0.00 C ATOM 598 CG PHE A 44 13.146 8.712 4.400 1.00 0.00 C ATOM 599 CD1 PHE A 44 13.691 8.458 3.152 1.00 0.00 C ATOM 600 CD2 PHE A 44 12.761 10.008 4.707 1.00 0.00 C ATOM 601 CE1 PHE A 44 13.848 9.473 2.228 1.00 0.00 C ATOM 602 CE2 PHE A 44 12.915 11.027 3.787 1.00 0.00 C ATOM 603 CZ PHE A 44 13.460 10.760 2.547 1.00 0.00 C ATOM 0 H PHE A 44 10.638 7.712 6.472 1.00 0.00 H new ATOM 0 HA PHE A 44 11.729 6.556 4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.821 8.041 6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.897 7.026 5.450 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.997 7.454 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.336 10.223 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.273 9.261 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.609 12.032 4.038 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.583 11.556 1.827 1.00 0.00 H new ATOM 613 N GLY A 45 10.995 4.614 6.085 1.00 0.00 N ATOM 614 CA GLY A 45 11.126 3.296 6.679 1.00 0.00 C ATOM 615 C GLY A 45 10.306 2.249 5.953 1.00 0.00 C ATOM 616 O GLY A 45 10.687 1.079 5.898 1.00 0.00 O ATOM 0 H GLY A 45 10.037 4.953 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.175 3.000 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.814 3.338 7.722 1.00 0.00 H new ATOM 620 N VAL A 46 9.175 2.667 5.394 1.00 0.00 N ATOM 621 CA VAL A 46 8.298 1.757 4.668 1.00 0.00 C ATOM 622 C VAL A 46 9.022 1.124 3.485 1.00 0.00 C ATOM 623 O VAL A 46 10.124 1.538 3.122 1.00 0.00 O ATOM 624 CB VAL A 46 7.037 2.479 4.157 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.104 2.805 5.313 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.418 3.740 3.396 1.00 0.00 C ATOM 0 H VAL A 46 8.844 3.631 5.430 1.00 0.00 H new ATOM 0 HA VAL A 46 8.001 0.977 5.369 1.00 0.00 H new ATOM 0 HB VAL A 46 6.510 1.814 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.219 3.315 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.806 1.883 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.618 3.452 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.515 4.238 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.968 4.411 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.044 3.476 2.544 1.00 0.00 H new ATOM 636 N THR A 47 8.395 0.116 2.885 1.00 0.00 N ATOM 637 CA THR A 47 8.979 -0.576 1.743 1.00 0.00 C ATOM 638 C THR A 47 8.868 0.264 0.476 1.00 0.00 C ATOM 639 O THR A 47 9.782 0.285 -0.349 1.00 0.00 O ATOM 640 CB THR A 47 8.300 -1.937 1.504 1.00 0.00 C ATOM 641 OG1 THR A 47 8.211 -2.663 2.734 1.00 0.00 O ATOM 642 CG2 THR A 47 9.074 -2.756 0.481 1.00 0.00 C ATOM 0 H THR A 47 7.483 -0.239 3.172 1.00 0.00 H new ATOM 0 HA THR A 47 10.031 -0.739 1.976 1.00 0.00 H new ATOM 0 HB THR A 47 7.297 -1.755 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.776 -3.527 2.573 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.575 -3.713 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.115 -2.214 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.087 -2.929 0.844 1.00 0.00 H new ATOM 650 N TYR A 48 7.744 0.957 0.327 1.00 0.00 N ATOM 651 CA TYR A 48 7.513 1.798 -0.841 1.00 0.00 C ATOM 652 C TYR A 48 7.051 3.191 -0.426 1.00 0.00 C ATOM 653 O TYR A 48 5.876 3.404 -0.129 1.00 0.00 O ATOM 654 CB TYR A 48 6.472 1.156 -1.760 1.00 0.00 C ATOM 655 CG TYR A 48 6.869 -0.215 -2.260 1.00 0.00 C ATOM 656 CD1 TYR A 48 7.980 -0.383 -3.077 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.134 -1.342 -1.914 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.346 -1.634 -3.536 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.493 -2.596 -2.367 1.00 0.00 C ATOM 660 CZ TYR A 48 7.600 -2.737 -3.179 1.00 0.00 C ATOM 661 OH TYR A 48 7.962 -3.985 -3.633 1.00 0.00 O ATOM 0 H TYR A 48 6.979 0.953 1.001 1.00 0.00 H new ATOM 0 HA TYR A 48 8.455 1.893 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.526 1.078 -1.225 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.302 1.810 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.567 0.479 -3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.267 -1.235 -1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.212 -1.747 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.911 -3.462 -2.087 1.00 0.00 H new ATOM 0 HH TYR A 48 7.315 -4.649 -3.316 1.00 0.00 H new ATOM 671 N GLN A 49 7.985 4.137 -0.410 1.00 0.00 N ATOM 672 CA GLN A 49 7.674 5.511 -0.032 1.00 0.00 C ATOM 673 C GLN A 49 7.078 6.277 -1.208 1.00 0.00 C ATOM 674 O GLN A 49 7.286 5.916 -2.368 1.00 0.00 O ATOM 675 CB GLN A 49 8.932 6.221 0.470 1.00 0.00 C ATOM 676 CG GLN A 49 8.660 7.592 1.066 1.00 0.00 C ATOM 677 CD GLN A 49 9.899 8.223 1.670 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.023 7.816 1.375 1.00 0.00 O ATOM 679 NE2 GLN A 49 9.701 9.224 2.520 1.00 0.00 N ATOM 0 H GLN A 49 8.962 3.977 -0.654 1.00 0.00 H new ATOM 0 HA GLN A 49 6.937 5.483 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.416 5.597 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.634 6.326 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.264 8.248 0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.891 7.504 1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.752 9.529 2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.498 9.687 2.957 1.00 0.00 H new ATOM 688 N LEU A 50 6.336 7.336 -0.903 1.00 0.00 N ATOM 689 CA LEU A 50 5.709 8.154 -1.935 1.00 0.00 C ATOM 690 C LEU A 50 5.709 9.627 -1.537 1.00 0.00 C ATOM 691 O LEU A 50 4.943 10.046 -0.669 1.00 0.00 O ATOM 692 CB LEU A 50 4.276 7.682 -2.187 1.00 0.00 C ATOM 693 CG LEU A 50 4.076 6.170 -2.287 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.604 5.816 -2.143 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.626 5.644 -3.605 1.00 0.00 C ATOM 0 H LEU A 50 6.154 7.648 0.051 1.00 0.00 H new ATOM 0 HA LEU A 50 6.288 8.044 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.644 8.060 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.922 8.137 -3.112 1.00 0.00 H new ATOM 0 HG LEU A 50 4.625 5.696 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.481 4.736 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.241 6.157 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.034 6.301 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.475 4.566 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.106 6.125 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.692 5.864 -3.668 1.00 0.00 H new ATOM 707 N VAL A 51 6.571 10.409 -2.179 1.00 0.00 N ATOM 708 CA VAL A 51 6.668 11.835 -1.895 1.00 0.00 C ATOM 709 C VAL A 51 6.314 12.666 -3.123 1.00 0.00 C ATOM 710 O VAL A 51 6.651 12.302 -4.250 1.00 0.00 O ATOM 711 CB VAL A 51 8.083 12.218 -1.421 1.00 0.00 C ATOM 712 CG1 VAL A 51 8.114 13.663 -0.946 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.549 11.276 -0.321 1.00 0.00 C ATOM 0 H VAL A 51 7.212 10.078 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 51 5.955 12.048 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 51 8.768 12.123 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.121 13.916 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.825 14.322 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.418 13.788 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.550 11.561 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.864 11.337 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.567 10.254 -0.700 1.00 0.00 H new ATOM 723 N SER A 52 5.632 13.784 -2.898 1.00 0.00 N ATOM 724 CA SER A 52 5.229 14.666 -3.987 1.00 0.00 C ATOM 725 C SER A 52 5.305 16.129 -3.559 1.00 0.00 C ATOM 726 O SER A 52 5.728 16.441 -2.445 1.00 0.00 O ATOM 727 CB SER A 52 3.808 14.330 -4.443 1.00 0.00 C ATOM 728 OG SER A 52 3.603 14.708 -5.794 1.00 0.00 O ATOM 0 H SER A 52 5.347 14.101 -1.971 1.00 0.00 H new ATOM 0 HA SER A 52 5.917 14.513 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.630 13.261 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.087 14.842 -3.805 1.00 0.00 H new ATOM 0 HG SER A 52 2.688 14.481 -6.062 1.00 0.00 H new ATOM 734 N LYS A 53 4.893 17.022 -4.451 1.00 0.00 N ATOM 735 CA LYS A 53 4.913 18.452 -4.168 1.00 0.00 C ATOM 736 C LYS A 53 3.497 19.020 -4.135 1.00 0.00 C ATOM 737 O LYS A 53 3.239 20.029 -3.479 1.00 0.00 O ATOM 738 CB LYS A 53 5.745 19.190 -5.219 1.00 0.00 C ATOM 739 CG LYS A 53 7.235 18.913 -5.120 1.00 0.00 C ATOM 740 CD LYS A 53 7.825 19.489 -3.843 1.00 0.00 C ATOM 741 CE LYS A 53 8.786 18.512 -3.183 1.00 0.00 C ATOM 742 NZ LYS A 53 10.201 18.788 -3.555 1.00 0.00 N ATOM 0 H LYS A 53 4.541 16.781 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 53 5.367 18.596 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.396 18.905 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.576 20.262 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.409 17.837 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.744 19.342 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.348 20.418 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.022 19.736 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.677 18.571 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.526 17.494 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.824 18.101 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.311 18.706 -4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.458 19.750 -3.254 1.00 0.00 H new ATOM 756 N ILE A 54 2.585 18.364 -4.845 1.00 0.00 N ATOM 757 CA ILE A 54 1.196 18.803 -4.894 1.00 0.00 C ATOM 758 C ILE A 54 0.514 18.622 -3.542 1.00 0.00 C ATOM 759 O ILE A 54 -0.078 19.558 -3.005 1.00 0.00 O ATOM 760 CB ILE A 54 0.400 18.033 -5.965 1.00 0.00 C ATOM 761 CG1 ILE A 54 1.041 18.221 -7.341 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.049 18.495 -5.982 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.112 19.666 -7.783 1.00 0.00 C ATOM 0 H ILE A 54 2.783 17.527 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 54 1.209 19.862 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 54 0.419 16.972 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.048 17.805 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.474 17.652 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.598 17.942 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.500 18.314 -5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.089 19.561 -6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.578 19.723 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.105 20.081 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.704 20.237 -7.068 1.00 0.00 H new ATOM 775 N CYS A 55 0.604 17.414 -2.997 1.00 0.00 N ATOM 776 CA CYS A 55 -0.003 17.110 -1.707 1.00 0.00 C ATOM 777 C CYS A 55 0.723 15.957 -1.022 1.00 0.00 C ATOM 778 O CYS A 55 0.221 14.836 -0.941 1.00 0.00 O ATOM 779 CB CYS A 55 -1.482 16.765 -1.884 1.00 0.00 C ATOM 780 SG CYS A 55 -1.805 15.550 -3.183 1.00 0.00 S ATOM 0 H CYS A 55 1.092 16.629 -3.429 1.00 0.00 H new ATOM 0 HA CYS A 55 0.083 17.995 -1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.871 16.384 -0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.033 17.678 -2.110 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.783 14.775 -2.819 1.00 0.00 H new ATOM 786 N PRO A 56 1.935 16.235 -0.519 1.00 0.00 N ATOM 787 CA PRO A 56 2.757 15.233 0.166 1.00 0.00 C ATOM 788 C PRO A 56 2.178 14.836 1.520 1.00 0.00 C ATOM 789 O PRO A 56 2.539 13.801 2.082 1.00 0.00 O ATOM 790 CB PRO A 56 4.102 15.941 0.347 1.00 0.00 C ATOM 791 CG PRO A 56 3.768 17.393 0.348 1.00 0.00 C ATOM 792 CD PRO A 56 2.596 17.550 -0.580 1.00 0.00 C ATOM 0 HA PRO A 56 2.822 14.303 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.583 15.645 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.791 15.694 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.519 17.735 1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.616 17.989 0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.931 18.350 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.915 17.793 -1.593 1.00 0.00 H new ATOM 800 N LEU A 57 1.278 15.664 2.039 1.00 0.00 N ATOM 801 CA LEU A 57 0.647 15.399 3.328 1.00 0.00 C ATOM 802 C LEU A 57 -0.499 14.404 3.179 1.00 0.00 C ATOM 803 O LEU A 57 -0.863 13.713 4.130 1.00 0.00 O ATOM 804 CB LEU A 57 0.132 16.701 3.943 1.00 0.00 C ATOM 805 CG LEU A 57 1.180 17.785 4.195 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.510 19.105 4.544 1.00 0.00 C ATOM 807 CD2 LEU A 57 2.132 17.359 5.304 1.00 0.00 C ATOM 0 H LEU A 57 0.969 16.525 1.587 1.00 0.00 H new ATOM 0 HA LEU A 57 1.396 14.964 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.635 17.111 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.353 16.465 4.890 1.00 0.00 H new ATOM 0 HG LEU A 57 1.757 17.924 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.272 19.864 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.130 19.417 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.093 18.980 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.871 18.143 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.569 17.191 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.638 16.438 5.015 1.00 0.00 H new ATOM 819 N MET A 58 -1.064 14.336 1.978 1.00 0.00 N ATOM 820 CA MET A 58 -2.168 13.423 1.703 1.00 0.00 C ATOM 821 C MET A 58 -1.818 12.002 2.133 1.00 0.00 C ATOM 822 O MET A 58 -2.694 11.224 2.511 1.00 0.00 O ATOM 823 CB MET A 58 -2.519 13.447 0.215 1.00 0.00 C ATOM 824 CG MET A 58 -3.936 12.983 -0.083 1.00 0.00 C ATOM 825 SD MET A 58 -4.605 13.716 -1.588 1.00 0.00 S ATOM 826 CE MET A 58 -5.402 15.179 -0.928 1.00 0.00 C ATOM 0 H MET A 58 -0.776 14.902 1.180 1.00 0.00 H new ATOM 0 HA MET A 58 -3.033 13.754 2.278 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.390 14.461 -0.164 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.817 12.813 -0.326 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.946 11.897 -0.177 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.582 13.236 0.758 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.318 15.377 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.643 15.019 0.123 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.730 16.032 -1.020 1.00 0.00 H new ATOM 836 N ILE A 59 -0.533 11.670 2.071 1.00 0.00 N ATOM 837 CA ILE A 59 -0.068 10.343 2.454 1.00 0.00 C ATOM 838 C ILE A 59 0.629 10.375 3.810 1.00 0.00 C ATOM 839 O ILE A 59 1.395 11.292 4.105 1.00 0.00 O ATOM 840 CB ILE A 59 0.899 9.761 1.407 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.309 9.902 0.002 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.200 8.302 1.716 1.00 0.00 C ATOM 843 CD1 ILE A 59 -1.038 9.234 -0.157 1.00 0.00 C ATOM 0 H ILE A 59 0.205 12.302 1.759 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.950 9.706 2.516 1.00 0.00 H new ATOM 0 HB ILE A 59 1.833 10.321 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.211 10.961 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.005 9.475 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.885 7.905 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.658 8.226 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.273 7.728 1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.396 9.374 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.942 8.168 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.749 9.677 0.541 1.00 0.00 H new ATOM 855 N SER A 60 0.359 9.365 4.632 1.00 0.00 N ATOM 856 CA SER A 60 0.959 9.278 5.959 1.00 0.00 C ATOM 857 C SER A 60 2.116 8.284 5.967 1.00 0.00 C ATOM 858 O SER A 60 2.342 7.569 4.991 1.00 0.00 O ATOM 859 CB SER A 60 -0.093 8.864 6.990 1.00 0.00 C ATOM 860 OG SER A 60 0.367 9.099 8.310 1.00 0.00 O ATOM 0 H SER A 60 -0.271 8.596 4.403 1.00 0.00 H new ATOM 0 HA SER A 60 1.347 10.262 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.014 9.421 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.331 7.807 6.867 1.00 0.00 H new ATOM 0 HG SER A 60 -0.324 8.828 8.950 1.00 0.00 H new ATOM 866 N ARG A 61 2.846 8.246 7.077 1.00 0.00 N ATOM 867 CA ARG A 61 3.982 7.342 7.214 1.00 0.00 C ATOM 868 C ARG A 61 3.576 5.907 6.891 1.00 0.00 C ATOM 869 O ARG A 61 4.303 5.183 6.213 1.00 0.00 O ATOM 870 CB ARG A 61 4.551 7.415 8.632 1.00 0.00 C ATOM 871 CG ARG A 61 5.506 8.578 8.846 1.00 0.00 C ATOM 872 CD ARG A 61 6.230 8.467 10.178 1.00 0.00 C ATOM 873 NE ARG A 61 7.217 7.391 10.176 1.00 0.00 N ATOM 874 CZ ARG A 61 8.190 7.285 11.074 1.00 0.00 C ATOM 875 NH1 ARG A 61 8.305 8.185 12.042 1.00 0.00 N ATOM 876 NH2 ARG A 61 9.051 6.277 11.006 1.00 0.00 N ATOM 0 H ARG A 61 2.671 8.831 7.894 1.00 0.00 H new ATOM 0 HA ARG A 61 4.750 7.653 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.727 7.497 9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.071 6.483 8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.235 8.605 8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.952 9.516 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.725 9.412 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.504 8.291 10.972 1.00 0.00 H new ATOM 0 HE ARG A 61 7.156 6.682 9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.645 8.961 12.098 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.053 8.101 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.966 5.583 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.798 6.197 11.696 1.00 0.00 H new ATOM 890 N ASN A 62 2.408 5.503 7.381 1.00 0.00 N ATOM 891 CA ASN A 62 1.906 4.154 7.146 1.00 0.00 C ATOM 892 C ASN A 62 0.466 4.190 6.643 1.00 0.00 C ATOM 893 O ASN A 62 -0.452 3.731 7.323 1.00 0.00 O ATOM 894 CB ASN A 62 1.989 3.325 8.429 1.00 0.00 C ATOM 895 CG ASN A 62 3.421 3.038 8.839 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.955 3.669 9.751 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.049 2.081 8.166 1.00 0.00 N ATOM 0 H ASN A 62 1.792 6.090 7.943 1.00 0.00 H new ATOM 0 HA ASN A 62 2.528 3.690 6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.482 3.856 9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.459 2.383 8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.013 1.843 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.567 1.584 7.417 1.00 0.00 H new ATOM 904 N HIS A 63 0.275 4.740 5.448 1.00 0.00 N ATOM 905 CA HIS A 63 -1.053 4.835 4.853 1.00 0.00 C ATOM 906 C HIS A 63 -1.738 3.472 4.832 1.00 0.00 C ATOM 907 O HIS A 63 -2.944 3.368 5.060 1.00 0.00 O ATOM 908 CB HIS A 63 -0.960 5.394 3.433 1.00 0.00 C ATOM 909 CG HIS A 63 -2.129 6.248 3.048 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.174 7.608 3.270 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.301 5.927 2.451 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.323 8.087 2.828 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.025 7.087 2.325 1.00 0.00 N ATOM 0 H HIS A 63 1.023 5.127 4.873 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.650 5.512 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.046 5.981 3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.879 4.565 2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.609 4.942 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.635 9.120 2.871 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.954 7.164 1.910 1.00 0.00 H new ATOM 921 N CYS A 64 -0.962 2.429 4.556 1.00 0.00 N ATOM 922 CA CYS A 64 -1.494 1.072 4.503 1.00 0.00 C ATOM 923 C CYS A 64 -0.384 0.045 4.701 1.00 0.00 C ATOM 924 O CYS A 64 0.800 0.376 4.645 1.00 0.00 O ATOM 925 CB CYS A 64 -2.197 0.830 3.167 1.00 0.00 C ATOM 926 SG CYS A 64 -1.076 0.715 1.753 1.00 0.00 S ATOM 0 H CYS A 64 0.038 2.497 4.366 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.217 0.959 5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.775 -0.092 3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.906 1.639 2.990 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.764 0.507 0.670 1.00 0.00 H new ATOM 932 N VAL A 65 -0.775 -1.204 4.935 1.00 0.00 N ATOM 933 CA VAL A 65 0.186 -2.280 5.143 1.00 0.00 C ATOM 934 C VAL A 65 -0.359 -3.609 4.634 1.00 0.00 C ATOM 935 O VAL A 65 -1.247 -4.204 5.246 1.00 0.00 O ATOM 936 CB VAL A 65 0.554 -2.425 6.631 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.579 -3.532 6.823 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.073 -1.105 7.182 1.00 0.00 C ATOM 0 H VAL A 65 -1.751 -1.495 4.985 1.00 0.00 H new ATOM 0 HA VAL A 65 1.081 -2.018 4.579 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.345 -2.696 7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.826 -3.619 7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.166 -4.476 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.480 -3.295 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.328 -1.225 8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.960 -0.802 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.303 -0.340 7.081 1.00 0.00 H new ATOM 948 N LEU A 66 0.178 -4.071 3.510 1.00 0.00 N ATOM 949 CA LEU A 66 -0.254 -5.333 2.917 1.00 0.00 C ATOM 950 C LEU A 66 0.444 -6.514 3.583 1.00 0.00 C ATOM 951 O LEU A 66 1.587 -6.405 4.026 1.00 0.00 O ATOM 952 CB LEU A 66 0.031 -5.337 1.415 1.00 0.00 C ATOM 953 CG LEU A 66 -0.923 -4.515 0.548 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.288 -3.187 0.167 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.319 -5.295 -0.697 1.00 0.00 C ATOM 0 H LEU A 66 0.913 -3.591 2.991 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.328 -5.433 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.044 -4.967 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.011 -6.369 1.064 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.824 -4.311 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.982 -2.616 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.056 -2.622 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.629 -3.370 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.998 -4.694 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.427 -5.530 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.816 -6.220 -0.404 1.00 0.00 H new ATOM 967 N LYS A 67 -0.251 -7.645 3.648 1.00 0.00 N ATOM 968 CA LYS A 67 0.302 -8.850 4.255 1.00 0.00 C ATOM 969 C LYS A 67 -0.654 -10.027 4.097 1.00 0.00 C ATOM 970 O LYS A 67 -1.872 -9.851 4.084 1.00 0.00 O ATOM 971 CB LYS A 67 0.592 -8.610 5.739 1.00 0.00 C ATOM 972 CG LYS A 67 -0.640 -8.244 6.548 1.00 0.00 C ATOM 973 CD LYS A 67 -0.388 -7.031 7.428 1.00 0.00 C ATOM 974 CE LYS A 67 0.082 -7.437 8.816 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.905 -7.065 9.867 1.00 0.00 N ATOM 0 H LYS A 67 -1.199 -7.752 3.287 1.00 0.00 H new ATOM 0 HA LYS A 67 1.233 -9.091 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.041 -9.508 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.328 -7.811 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.472 -8.039 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.934 -9.090 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.361 -6.391 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.302 -6.443 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.251 -8.513 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.038 -6.959 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.548 -7.359 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.048 -6.035 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.810 -7.541 9.678 1.00 0.00 H new ATOM 989 N GLN A 68 -0.094 -11.227 3.979 1.00 0.00 N ATOM 990 CA GLN A 68 -0.899 -12.433 3.823 1.00 0.00 C ATOM 991 C GLN A 68 -1.310 -12.993 5.180 1.00 0.00 C ATOM 992 O GLN A 68 -0.469 -13.438 5.959 1.00 0.00 O ATOM 993 CB GLN A 68 -0.123 -13.490 3.035 1.00 0.00 C ATOM 994 CG GLN A 68 0.155 -13.094 1.594 1.00 0.00 C ATOM 995 CD GLN A 68 0.755 -14.226 0.783 1.00 0.00 C ATOM 996 OE1 GLN A 68 1.858 -14.692 1.068 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.029 -14.674 -0.235 1.00 0.00 N ATOM 0 H GLN A 68 0.913 -11.390 3.988 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.802 -12.169 3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.824 -13.684 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.686 -14.423 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.774 -12.769 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.835 -12.242 1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.881 -14.258 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.381 -15.434 -0.817 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.610 -12.965 5.457 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.133 -13.469 6.722 1.00 0.00 C ATOM 1008 C ASN A 69 -2.620 -14.879 6.999 1.00 0.00 C ATOM 1009 O ASN A 69 -2.169 -15.591 6.101 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.662 -13.466 6.703 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.227 -14.099 5.445 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.741 -15.132 4.986 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.258 -13.479 4.883 1.00 0.00 N ATOM 0 H ASN A 69 -3.320 -12.599 4.823 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.785 -12.811 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.034 -14.003 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.021 -12.440 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.680 -13.857 4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.628 -12.624 5.299 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.690 -15.294 8.273 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.238 -16.623 8.698 1.00 0.00 C ATOM 1022 C PRO A 70 -2.793 -17.734 7.814 1.00 0.00 C ATOM 1023 O PRO A 70 -2.183 -18.794 7.679 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.790 -16.746 10.121 1.00 0.00 C ATOM 1025 CG PRO A 70 -2.902 -15.342 10.606 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.215 -14.499 9.395 1.00 0.00 C ATOM 0 HA PRO A 70 -1.155 -16.725 8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.759 -17.246 10.128 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.124 -17.332 10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.687 -15.251 11.356 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.973 -15.018 11.076 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.286 -14.323 9.295 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.736 -13.522 9.452 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.952 -17.484 7.214 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.588 -18.465 6.342 1.00 0.00 C ATOM 1036 C GLU A 71 -3.758 -18.693 5.083 1.00 0.00 C ATOM 1037 O GLU A 71 -3.634 -19.819 4.603 1.00 0.00 O ATOM 1038 CB GLU A 71 -5.997 -18.005 5.961 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.809 -17.494 7.139 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.304 -17.563 6.891 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.731 -17.276 5.753 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.046 -17.904 7.835 1.00 0.00 O ATOM 0 H GLU A 71 -4.470 -16.611 7.315 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.656 -19.407 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.923 -17.216 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.529 -18.836 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.564 -18.079 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.527 -16.463 7.350 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.190 -17.615 4.551 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.379 -17.717 3.352 1.00 0.00 C ATOM 1051 C GLY A 72 -2.924 -16.882 2.211 1.00 0.00 C ATOM 1052 O GLY A 72 -2.592 -17.116 1.049 1.00 0.00 O ATOM 0 H GLY A 72 -3.277 -16.672 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.361 -17.399 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.325 -18.760 3.041 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.763 -15.906 2.542 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.357 -15.035 1.534 1.00 0.00 C ATOM 1058 C GLN A 73 -3.953 -13.582 1.765 1.00 0.00 C ATOM 1059 O GLN A 73 -3.851 -13.130 2.905 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.881 -15.162 1.553 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.588 -14.134 0.685 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.224 -14.259 -0.781 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.520 -15.186 -1.181 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.704 -13.323 -1.592 1.00 0.00 N ATOM 0 H GLN A 73 -4.047 -15.698 3.499 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.986 -15.346 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.158 -16.161 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.233 -15.062 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.666 -14.248 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.335 -13.133 1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.284 -12.572 -1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.493 -13.355 -2.589 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.726 -12.857 0.676 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.333 -11.454 0.761 1.00 0.00 C ATOM 1075 C TRP A 74 -4.478 -10.599 1.292 1.00 0.00 C ATOM 1076 O TRP A 74 -5.644 -10.836 0.973 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.893 -10.943 -0.612 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.447 -11.202 -0.907 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.941 -12.098 -1.806 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.320 -10.560 -0.300 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.432 -12.051 -1.794 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.838 -11.115 -0.880 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.176 -9.569 0.674 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.119 -10.712 -0.514 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.096 -9.170 1.036 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.230 -9.740 0.442 1.00 0.00 C ATOM 0 H TRP A 74 -3.807 -13.216 -0.275 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.496 -11.378 1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.504 -11.417 -1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.082 -9.871 -0.670 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.533 -12.748 -2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.049 -12.621 -2.372 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.044 -9.123 1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.995 -11.151 -0.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.219 -8.406 1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.211 -9.405 0.745 1.00 0.00 H new ATOM 1097 N THR A 75 -4.139 -9.604 2.105 1.00 0.00 N ATOM 1098 CA THR A 75 -5.139 -8.714 2.682 1.00 0.00 C ATOM 1099 C THR A 75 -4.559 -7.328 2.941 1.00 0.00 C ATOM 1100 O THR A 75 -3.480 -7.195 3.520 1.00 0.00 O ATOM 1101 CB THR A 75 -5.699 -9.278 4.002 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.648 -9.402 4.966 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.351 -10.634 3.777 1.00 0.00 C ATOM 0 H THR A 75 -3.179 -9.394 2.379 1.00 0.00 H new ATOM 0 HA THR A 75 -5.948 -8.636 1.956 1.00 0.00 H new ATOM 0 HB THR A 75 -6.455 -8.587 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.799 -9.564 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.739 -11.013 4.723 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.169 -10.531 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.612 -11.332 3.383 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.280 -6.300 2.509 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.837 -4.924 2.696 1.00 0.00 C ATOM 1113 C ILE A 76 -5.420 -4.327 3.972 1.00 0.00 C ATOM 1114 O ILE A 76 -6.636 -4.306 4.160 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.233 -4.037 1.500 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.785 -2.593 1.738 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.735 -4.101 1.269 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.513 -1.827 0.462 1.00 0.00 C ATOM 0 H ILE A 76 -6.174 -6.393 2.027 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.750 -4.951 2.774 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.732 -4.410 0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.554 -2.072 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.883 -2.597 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.000 -3.469 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.028 -5.130 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.255 -3.749 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.200 -0.812 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.723 -2.325 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.420 -1.791 -0.141 1.00 0.00 H new ATOM 1130 N MET A 77 -4.544 -3.841 4.846 1.00 0.00 N ATOM 1131 CA MET A 77 -4.972 -3.241 6.104 1.00 0.00 C ATOM 1132 C MET A 77 -4.479 -1.801 6.215 1.00 0.00 C ATOM 1133 O MET A 77 -3.309 -1.515 5.964 1.00 0.00 O ATOM 1134 CB MET A 77 -4.456 -4.061 7.287 1.00 0.00 C ATOM 1135 CG MET A 77 -4.893 -3.520 8.639 1.00 0.00 C ATOM 1136 SD MET A 77 -3.630 -3.722 9.909 1.00 0.00 S ATOM 1137 CE MET A 77 -2.595 -2.296 9.588 1.00 0.00 C ATOM 0 H MET A 77 -3.534 -3.851 4.706 1.00 0.00 H new ATOM 0 HA MET A 77 -6.062 -3.236 6.123 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.805 -5.089 7.186 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.367 -4.090 7.251 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.138 -2.462 8.541 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.803 -4.030 8.953 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.766 -2.281 10.296 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.204 -2.352 8.572 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.184 -1.386 9.701 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.380 -0.900 6.591 1.00 0.00 N ATOM 1148 CA ASP A 78 -5.036 0.510 6.736 1.00 0.00 C ATOM 1149 C ASP A 78 -4.634 0.826 8.173 1.00 0.00 C ATOM 1150 O ASP A 78 -5.400 0.595 9.107 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.214 1.390 6.317 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.797 0.979 4.979 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -6.030 0.897 3.997 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -8.021 0.738 4.915 1.00 0.00 O ATOM 0 H ASP A 78 -6.354 -1.121 6.801 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.187 0.720 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.991 1.339 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.887 2.428 6.264 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.427 1.356 8.342 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.922 1.703 9.665 1.00 0.00 C ATOM 1161 C ASN A 79 -3.570 2.986 10.175 1.00 0.00 C ATOM 1162 O ASN A 79 -2.918 4.026 10.279 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.401 1.866 9.628 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.756 1.583 10.970 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.292 1.945 12.018 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.401 0.932 10.945 1.00 0.00 N ATOM 0 H ASN A 79 -2.780 1.555 7.579 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.177 0.892 10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.984 1.193 8.879 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.155 2.881 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.882 0.713 11.817 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.809 0.651 10.053 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.858 2.906 10.493 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.596 4.060 10.995 1.00 0.00 C ATOM 1175 C LYS A 80 -5.418 5.262 10.072 1.00 0.00 C ATOM 1176 O LYS A 80 -4.926 6.310 10.491 1.00 0.00 O ATOM 1177 CB LYS A 80 -5.129 4.415 12.408 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.740 3.539 13.488 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.835 4.274 14.815 1.00 0.00 C ATOM 1180 CE LYS A 80 -5.452 3.374 15.980 1.00 0.00 C ATOM 1181 NZ LYS A 80 -5.301 4.141 17.247 1.00 0.00 N ATOM 0 H LYS A 80 -5.413 2.054 10.412 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.654 3.799 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.043 4.331 12.455 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.377 5.456 12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.734 3.217 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.138 2.639 13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.181 5.146 14.797 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.851 4.641 14.957 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.213 2.604 16.110 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.517 2.862 15.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.040 3.492 18.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.557 4.859 17.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.200 4.609 17.479 1.00 0.00 H new ATOM 1195 N SER A 81 -5.824 5.104 8.817 1.00 0.00 N ATOM 1196 CA SER A 81 -5.707 6.176 7.835 1.00 0.00 C ATOM 1197 C SER A 81 -6.580 7.365 8.223 1.00 0.00 C ATOM 1198 O SER A 81 -7.729 7.199 8.637 1.00 0.00 O ATOM 1199 CB SER A 81 -6.103 5.670 6.447 1.00 0.00 C ATOM 1200 OG SER A 81 -7.330 4.961 6.493 1.00 0.00 O ATOM 0 H SER A 81 -6.237 4.244 8.456 1.00 0.00 H new ATOM 0 HA SER A 81 -4.667 6.503 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.192 6.512 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.319 5.022 6.056 1.00 0.00 H new ATOM 0 HG SER A 81 -8.037 5.552 6.826 1.00 0.00 H new ATOM 1206 N LEU A 82 -6.028 8.566 8.087 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.755 9.785 8.424 1.00 0.00 C ATOM 1208 C LEU A 82 -7.699 10.184 7.295 1.00 0.00 C ATOM 1209 O LEU A 82 -8.909 10.290 7.492 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.775 10.924 8.711 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.398 12.291 8.994 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.704 12.441 10.476 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.476 13.406 8.522 1.00 0.00 C ATOM 0 H LEU A 82 -5.079 8.722 7.746 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.348 9.590 9.318 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.162 10.642 9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.104 11.023 7.858 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.335 12.364 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.147 13.420 10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.403 11.663 10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.782 12.347 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.936 14.372 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.523 13.337 9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.308 13.309 7.449 1.00 0.00 H new ATOM 1225 N ASN A 83 -7.138 10.404 6.110 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.931 10.790 4.948 1.00 0.00 C ATOM 1227 C ASN A 83 -8.885 9.670 4.544 1.00 0.00 C ATOM 1228 O ASN A 83 -9.982 9.924 4.048 1.00 0.00 O ATOM 1229 CB ASN A 83 -7.015 11.144 3.775 1.00 0.00 C ATOM 1230 CG ASN A 83 -6.290 12.460 3.984 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -6.769 13.517 3.572 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.129 12.400 4.625 1.00 0.00 N ATOM 0 H ASN A 83 -6.138 10.322 5.929 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.521 11.666 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.284 10.348 3.635 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.605 11.199 2.860 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.595 13.253 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.771 11.501 4.949 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.458 8.430 4.760 1.00 0.00 N ATOM 1240 CA GLY A 84 -9.285 7.289 4.413 1.00 0.00 C ATOM 1241 C GLY A 84 -8.753 6.530 3.214 1.00 0.00 C ATOM 1242 O GLY A 84 -8.189 7.123 2.294 1.00 0.00 O ATOM 0 H GLY A 84 -7.554 8.195 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.346 6.615 5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.299 7.630 4.203 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.931 5.212 3.223 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.464 4.370 2.128 1.00 0.00 C ATOM 1248 C VAL A 85 -9.634 3.777 1.353 1.00 0.00 C ATOM 1249 O VAL A 85 -10.643 3.382 1.938 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.570 3.226 2.642 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.937 2.478 1.478 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.503 3.765 3.583 1.00 0.00 C ATOM 0 H VAL A 85 -9.395 4.705 3.977 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.880 5.008 1.465 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.192 2.525 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.309 1.674 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.720 2.058 0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.328 3.166 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.881 2.943 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.883 4.488 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.980 4.251 4.434 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.493 3.717 0.034 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.540 3.171 -0.823 1.00 0.00 C ATOM 1264 C TRP A 86 -10.105 1.845 -1.436 1.00 0.00 C ATOM 1265 O TRP A 86 -8.912 1.595 -1.617 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.894 4.167 -1.928 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.226 5.534 -1.412 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.368 6.586 -1.266 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.508 5.996 -0.972 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -11.038 7.674 -0.762 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.353 7.338 -0.573 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.772 5.408 -0.877 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.414 8.098 -0.088 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.824 6.162 -0.395 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.640 7.496 -0.006 1.00 0.00 C ATOM 0 H TRP A 86 -8.664 4.039 -0.466 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.422 2.993 -0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.056 4.242 -2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.743 3.784 -2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.316 6.566 -1.511 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.624 8.584 -0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.924 4.381 -1.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -13.274 9.126 0.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.805 5.716 -0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.483 8.060 0.366 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.077 0.998 -1.756 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.794 -0.304 -2.350 1.00 0.00 C ATOM 1288 C LEU A 87 -11.959 -0.773 -3.215 1.00 0.00 C ATOM 1289 O LEU A 87 -13.006 -1.166 -2.703 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.508 -1.334 -1.256 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.327 -2.778 -1.726 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.238 -2.863 -2.784 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.000 -3.685 -0.548 1.00 0.00 C ATOM 0 H LEU A 87 -12.069 1.190 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.913 -0.203 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.606 -1.030 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.326 -1.307 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.264 -3.115 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.124 -3.898 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.512 -2.245 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.296 -2.507 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.875 -4.709 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.077 -3.349 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.814 -3.648 0.176 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.768 -0.729 -4.530 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.803 -1.151 -5.467 1.00 0.00 C ATOM 1307 C ASN A 88 -14.086 -0.353 -5.256 1.00 0.00 C ATOM 1308 O ASN A 88 -15.178 -0.917 -5.200 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.087 -2.646 -5.306 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.067 -3.509 -6.024 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.563 -3.141 -7.085 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -11.759 -4.664 -5.446 1.00 0.00 N ATOM 0 H ASN A 88 -10.907 -0.406 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.441 -0.963 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.092 -2.900 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.082 -2.868 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.079 -5.287 -5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.202 -4.928 -4.566 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.945 0.964 -5.142 1.00 0.00 N ATOM 1320 CA ARG A 89 -15.092 1.840 -4.937 1.00 0.00 C ATOM 1321 C ARG A 89 -15.795 1.517 -3.622 1.00 0.00 C ATOM 1322 O ARG A 89 -17.019 1.396 -3.575 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.076 1.708 -6.101 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.431 1.877 -7.466 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.055 0.535 -8.075 1.00 0.00 C ATOM 1326 NE ARG A 89 -15.100 0.564 -9.535 1.00 0.00 N ATOM 1327 CZ ARG A 89 -14.793 -0.478 -10.300 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -14.421 -1.624 -9.748 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -14.857 -0.373 -11.621 1.00 0.00 N ATOM 0 H ARG A 89 -13.048 1.447 -5.188 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.730 2.867 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.553 0.729 -6.053 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.864 2.453 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.117 2.400 -8.132 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.540 2.498 -7.374 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.053 0.257 -7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.735 -0.233 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.382 1.431 -9.992 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.370 -1.708 -8.733 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.186 -2.422 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.142 0.508 -12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.621 -1.173 -12.208 1.00 0.00 H new ATOM 1343 N ALA A 90 -15.013 1.377 -2.557 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.561 1.069 -1.242 1.00 0.00 C ATOM 1345 C ALA A 90 -14.788 1.790 -0.143 1.00 0.00 C ATOM 1346 O ALA A 90 -13.665 2.247 -0.358 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.545 -0.434 -1.002 1.00 0.00 C ATOM 0 H ALA A 90 -13.998 1.472 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.593 1.419 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.957 -0.649 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.147 -0.930 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.520 -0.800 -1.055 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.396 1.889 1.034 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.766 2.557 2.167 1.00 0.00 C ATOM 1355 C ARG A 91 -14.127 1.541 3.110 1.00 0.00 C ATOM 1356 O ARG A 91 -14.779 0.595 3.554 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.793 3.399 2.926 1.00 0.00 C ATOM 1358 CG ARG A 91 -15.194 4.212 4.062 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.734 5.581 3.584 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.715 6.560 4.668 1.00 0.00 N ATOM 1361 CZ ARG A 91 -14.122 7.745 4.577 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -13.501 8.096 3.459 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -14.148 8.582 5.606 1.00 0.00 N ATOM 0 H ARG A 91 -16.325 1.515 1.228 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.984 3.212 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.284 4.075 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.564 2.741 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.933 4.331 4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.350 3.673 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.736 5.498 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.396 5.930 2.792 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.183 6.321 5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.478 7.455 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.047 9.007 3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.624 8.316 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.692 9.492 5.535 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.849 1.744 3.411 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.122 0.846 4.301 1.00 0.00 C ATOM 1379 C LEU A 92 -12.097 1.393 5.725 1.00 0.00 C ATOM 1380 O LEU A 92 -12.247 2.595 5.940 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.692 0.643 3.796 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.554 0.062 2.388 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.118 0.178 1.901 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.012 -1.389 2.363 1.00 0.00 C ATOM 0 H LEU A 92 -12.295 2.522 3.052 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.638 -0.114 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.179 1.604 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.172 -0.016 4.492 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.191 0.635 1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.039 -0.241 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.824 1.228 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.460 -0.370 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.907 -1.786 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.401 -1.975 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.057 -1.446 2.668 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.904 0.502 6.693 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.858 0.897 8.096 1.00 0.00 C ATOM 1398 C GLU A 93 -10.439 0.787 8.646 1.00 0.00 C ATOM 1399 O GLU A 93 -9.584 0.095 8.093 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.807 0.028 8.924 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.229 0.559 8.976 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.101 0.000 7.868 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.191 -1.240 7.751 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -15.694 0.804 7.118 1.00 0.00 O ATOM 0 H GLU A 93 -11.777 -0.497 6.531 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.176 1.937 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.819 -0.980 8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.420 -0.051 9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.671 0.311 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.210 1.646 8.905 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.181 1.488 9.760 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.867 1.486 10.410 1.00 0.00 C ATOM 1413 C PRO A 94 -8.543 0.145 11.060 1.00 0.00 C ATOM 1414 O PRO A 94 -9.376 -0.435 11.759 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.996 2.579 11.474 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.455 2.653 11.766 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.153 2.334 10.472 1.00 0.00 C ATOM 0 HA PRO A 94 -8.060 1.658 9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.425 2.330 12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.616 3.533 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.734 1.943 12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.731 3.645 12.124 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.094 1.810 10.641 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.388 3.237 9.909 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.330 -0.343 10.826 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.896 -1.617 11.390 1.00 0.00 C ATOM 1427 C LEU A 95 -7.906 -2.719 11.087 1.00 0.00 C ATOM 1428 O LEU A 95 -8.418 -3.373 11.996 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.703 -1.488 12.902 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.068 -0.185 13.389 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.042 -0.140 14.909 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.664 -0.032 12.825 1.00 0.00 C ATOM 0 H LEU A 95 -6.629 0.124 10.250 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.945 -1.885 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.675 -1.597 13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.085 -2.319 13.241 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.674 0.648 13.031 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.587 0.794 15.238 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.061 -0.202 15.292 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.460 -0.980 15.288 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.228 0.901 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.047 -0.869 13.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.709 -0.018 11.736 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.186 -2.921 9.803 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.134 -3.945 9.380 1.00 0.00 C ATOM 1446 C ARG A 96 -8.540 -4.810 8.272 1.00 0.00 C ATOM 1447 O ARG A 96 -7.603 -4.402 7.586 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.433 -3.298 8.896 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.675 -4.116 9.212 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.669 -3.321 10.044 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.438 -4.177 10.944 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.371 -3.721 11.772 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -14.650 -2.426 11.814 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -15.028 -4.563 12.561 1.00 0.00 N ATOM 0 H ARG A 96 -7.770 -2.389 9.038 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.351 -4.582 10.238 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.531 -2.313 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.373 -3.145 7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.149 -4.434 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.389 -5.020 9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.135 -2.570 10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.350 -2.787 9.382 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.248 -5.179 10.936 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.148 -1.776 11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.367 -2.079 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.816 -5.560 12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.744 -4.212 13.197 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.093 -6.007 8.103 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.619 -6.930 7.079 1.00 0.00 C ATOM 1470 C VAL A 97 -9.556 -6.945 5.877 1.00 0.00 C ATOM 1471 O VAL A 97 -10.776 -7.024 6.028 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.487 -8.362 7.631 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.881 -9.284 6.585 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.655 -8.367 8.905 1.00 0.00 C ATOM 0 H VAL A 97 -9.870 -6.360 8.662 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.636 -6.578 6.766 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.483 -8.733 7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.796 -10.291 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.521 -9.303 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.892 -8.920 6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.572 -9.387 9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.660 -7.977 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.136 -7.741 9.656 1.00 0.00 H new ATOM 1484 N TYR A 98 -8.979 -6.869 4.683 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.763 -6.872 3.453 1.00 0.00 C ATOM 1486 C TYR A 98 -9.115 -7.761 2.396 1.00 0.00 C ATOM 1487 O TYR A 98 -8.062 -7.431 1.851 1.00 0.00 O ATOM 1488 CB TYR A 98 -9.912 -5.448 2.916 1.00 0.00 C ATOM 1489 CG TYR A 98 -10.812 -4.573 3.759 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.192 -4.729 3.728 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.281 -3.591 4.587 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.018 -3.931 4.497 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.100 -2.790 5.360 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.467 -2.964 5.311 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.286 -2.168 6.079 1.00 0.00 O ATOM 0 H TYR A 98 -7.971 -6.805 4.540 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.751 -7.272 3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.926 -4.987 2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.308 -5.491 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.627 -5.486 3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.211 -3.452 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.089 -4.064 4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.672 -2.032 5.999 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.972 -2.721 6.507 1.00 0.00 H new ATOM 1505 N SER A 99 -9.754 -8.892 2.112 1.00 0.00 N ATOM 1506 CA SER A 99 -9.240 -9.832 1.123 1.00 0.00 C ATOM 1507 C SER A 99 -9.276 -9.223 -0.276 1.00 0.00 C ATOM 1508 O SER A 99 -10.333 -8.819 -0.762 1.00 0.00 O ATOM 1509 CB SER A 99 -10.054 -11.127 1.148 1.00 0.00 C ATOM 1510 OG SER A 99 -11.344 -10.908 1.692 1.00 0.00 O ATOM 0 H SER A 99 -10.628 -9.179 2.553 1.00 0.00 H new ATOM 0 HA SER A 99 -8.204 -10.057 1.376 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.145 -11.523 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.530 -11.878 1.738 1.00 0.00 H new ATOM 0 HG SER A 99 -11.845 -11.750 1.695 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.114 -9.160 -0.917 1.00 0.00 N ATOM 1517 CA ILE A 100 -8.012 -8.602 -2.259 1.00 0.00 C ATOM 1518 C ILE A 100 -7.792 -9.699 -3.296 1.00 0.00 C ATOM 1519 O ILE A 100 -7.441 -10.829 -2.955 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.864 -7.580 -2.358 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.516 -8.271 -2.141 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -7.061 -6.462 -1.346 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.330 -7.346 -2.297 1.00 0.00 C ATOM 0 H ILE A 100 -7.230 -9.489 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.956 -8.097 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.871 -7.144 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.497 -8.707 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.420 -9.094 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.242 -5.748 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.005 -5.955 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.077 -6.881 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.409 -7.904 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.324 -6.929 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.402 -6.537 -1.570 1.00 0.00 H new ATOM 1535 N HIS A 101 -7.999 -9.357 -4.564 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.821 -10.313 -5.651 1.00 0.00 C ATOM 1537 C HIS A 101 -7.341 -9.611 -6.918 1.00 0.00 C ATOM 1538 O HIS A 101 -7.120 -8.400 -6.921 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.131 -11.051 -5.929 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.694 -11.745 -4.727 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.128 -12.875 -4.177 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.779 -11.462 -3.969 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.840 -13.258 -3.133 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.848 -12.417 -2.984 1.00 0.00 N ATOM 0 H HIS A 101 -8.290 -8.426 -4.864 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.063 -11.035 -5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.866 -10.340 -6.305 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.965 -11.785 -6.718 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.463 -10.639 -4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.633 -14.114 -2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.561 -12.468 -2.256 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.180 -10.380 -7.990 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.724 -9.830 -9.262 1.00 0.00 C ATOM 1554 C GLN A 102 -7.787 -8.926 -9.876 1.00 0.00 C ATOM 1555 O GLN A 102 -8.873 -9.381 -10.233 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.375 -10.960 -10.233 1.00 0.00 C ATOM 1557 CG GLN A 102 -5.269 -10.599 -11.212 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.696 -9.541 -12.210 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -6.880 -9.401 -12.516 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.730 -8.787 -12.723 1.00 0.00 N ATOM 0 H GLN A 102 -7.358 -11.384 -8.004 1.00 0.00 H new ATOM 0 HA GLN A 102 -5.831 -9.233 -9.073 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.072 -11.838 -9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.269 -11.236 -10.793 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.401 -10.241 -10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.957 -11.495 -11.749 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.761 -8.938 -12.441 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.957 -8.058 -13.399 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.466 -7.641 -9.997 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.404 -6.693 -10.569 1.00 0.00 C ATOM 1571 C GLY A 103 -8.983 -5.752 -9.531 1.00 0.00 C ATOM 1572 O GLY A 103 -10.156 -5.384 -9.602 1.00 0.00 O ATOM 0 H GLY A 103 -6.573 -7.240 -9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.902 -6.111 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.215 -7.236 -11.055 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.161 -5.364 -8.562 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.598 -4.462 -7.504 1.00 0.00 C ATOM 1578 C ASP A 104 -8.096 -3.044 -7.757 1.00 0.00 C ATOM 1579 O ASP A 104 -7.301 -2.809 -8.668 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.101 -4.957 -6.145 1.00 0.00 C ATOM 1581 CG ASP A 104 -8.849 -6.186 -5.668 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.371 -6.931 -6.523 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -8.914 -6.403 -4.440 1.00 0.00 O ATOM 0 H ASP A 104 -7.188 -5.661 -8.488 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.688 -4.447 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.037 -5.186 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.210 -4.160 -5.409 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.565 -2.102 -6.946 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.166 -0.706 -7.085 1.00 0.00 C ATOM 1590 C TYR A 105 -8.004 -0.048 -5.718 1.00 0.00 C ATOM 1591 O TYR A 105 -8.988 0.240 -5.035 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.197 0.061 -7.914 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.795 0.246 -9.359 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.781 -0.828 -10.240 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.428 1.496 -9.845 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.414 -0.664 -11.562 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.061 1.669 -11.165 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.055 0.587 -12.019 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.689 0.756 -13.335 1.00 0.00 O ATOM 0 H TYR A 105 -9.222 -2.279 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.205 -0.678 -7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.149 -0.469 -7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.359 1.040 -7.462 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.062 -1.809 -9.885 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.430 2.346 -9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.408 -1.510 -12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.780 2.647 -11.526 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.467 1.697 -13.494 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.757 0.188 -5.326 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.465 0.814 -4.042 1.00 0.00 C ATOM 1611 C ILE A 106 -6.169 2.300 -4.210 1.00 0.00 C ATOM 1612 O ILE A 106 -5.295 2.685 -4.986 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.269 0.139 -3.346 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.549 -1.350 -3.132 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.972 0.824 -2.020 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -5.114 -2.219 -4.291 1.00 0.00 C ATOM 0 H ILE A 106 -5.932 -0.045 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.353 0.691 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.393 0.236 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -5.038 -1.681 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.617 -1.490 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.124 0.335 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.734 1.873 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.845 0.755 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.343 -3.262 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.644 -1.914 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.041 -2.108 -4.446 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.903 3.131 -3.476 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.717 4.575 -3.543 1.00 0.00 C ATOM 1630 C GLN A 107 -6.300 5.134 -2.187 1.00 0.00 C ATOM 1631 O GLN A 107 -6.998 4.953 -1.187 1.00 0.00 O ATOM 1632 CB GLN A 107 -8.005 5.255 -4.014 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.765 6.520 -4.822 1.00 0.00 C ATOM 1634 CD GLN A 107 -7.681 7.760 -3.954 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -6.721 7.945 -3.206 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -8.690 8.618 -4.049 1.00 0.00 N ATOM 0 H GLN A 107 -7.631 2.829 -2.829 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.922 4.781 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.578 4.551 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.616 5.499 -3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.840 6.415 -5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.570 6.642 -5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.466 8.425 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.689 9.470 -3.489 1.00 0.00 H new ATOM 1645 N LEU A 108 -5.159 5.814 -2.158 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.649 6.400 -0.923 1.00 0.00 C ATOM 1647 C LEU A 108 -5.176 7.819 -0.735 1.00 0.00 C ATOM 1648 O LEU A 108 -4.702 8.758 -1.373 1.00 0.00 O ATOM 1649 CB LEU A 108 -3.119 6.409 -0.935 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.442 5.070 -1.227 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.931 5.238 -1.287 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.825 4.038 -0.177 1.00 0.00 C ATOM 0 H LEU A 108 -4.570 5.973 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.997 5.790 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.786 7.132 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.770 6.766 0.034 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.786 4.715 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.466 4.275 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.674 5.944 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.569 5.616 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.334 3.091 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.510 4.386 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.906 3.896 -0.183 1.00 0.00 H new ATOM 1664 N GLY A 109 -6.159 7.967 0.148 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.733 9.274 0.406 1.00 0.00 C ATOM 1666 C GLY A 109 -7.822 9.636 -0.585 1.00 0.00 C ATOM 1667 O GLY A 109 -8.312 8.779 -1.321 1.00 0.00 O ATOM 0 H GLY A 109 -6.568 7.205 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.144 9.294 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.946 10.027 0.367 1.00 0.00 H new ATOM 1671 N VAL A 110 -8.203 10.909 -0.605 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.241 11.383 -1.513 1.00 0.00 C ATOM 1673 C VAL A 110 -8.680 12.388 -2.512 1.00 0.00 C ATOM 1674 O VAL A 110 -7.664 13.040 -2.271 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.405 12.035 -0.744 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -11.298 10.971 -0.125 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.874 12.983 0.321 1.00 0.00 C ATOM 0 H VAL A 110 -7.808 11.631 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.614 10.511 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.004 12.614 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.115 11.450 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.706 10.336 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.714 10.363 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.710 13.435 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.252 12.429 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.280 13.765 -0.152 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.356 12.519 -3.663 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.944 13.444 -4.723 1.00 0.00 C ATOM 1689 C PRO A 111 -9.142 14.903 -4.327 1.00 0.00 C ATOM 1690 O PRO A 111 -10.043 15.231 -3.554 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.863 13.077 -5.891 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.068 12.479 -5.252 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.575 11.773 -4.018 1.00 0.00 C ATOM 0 HA PRO A 111 -7.883 13.354 -4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.123 13.956 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.381 12.370 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.797 13.248 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.563 11.783 -5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.313 11.803 -3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.360 10.723 -4.215 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.296 15.776 -4.862 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.378 17.202 -4.565 1.00 0.00 C ATOM 1703 C LEU A 112 -9.503 17.859 -5.358 1.00 0.00 C ATOM 1704 O LEU A 112 -10.046 17.268 -6.290 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.048 17.887 -4.883 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.912 17.640 -3.890 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -6.350 17.995 -2.478 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.449 16.192 -3.958 1.00 0.00 C ATOM 0 H LEU A 112 -7.545 15.522 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.593 17.315 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.720 17.559 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.221 18.961 -4.946 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.074 18.282 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.528 17.813 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.631 19.047 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.205 17.380 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.640 16.035 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.281 15.532 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.093 15.971 -4.964 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.765 10.862 -8.178 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.597 10.689 -7.323 1.00 0.00 C ATOM 1802 C ALA A 118 -5.346 10.413 -8.150 1.00 0.00 C ATOM 1803 O ALA A 118 -5.282 9.428 -8.884 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.834 9.563 -6.328 1.00 0.00 C ATOM 0 HA ALA A 118 -6.439 11.617 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.954 9.445 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.697 9.802 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.021 8.634 -6.867 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.355 11.290 -8.027 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.107 11.140 -8.765 1.00 0.00 C ATOM 1812 C GLU A 119 -2.413 9.831 -8.400 1.00 0.00 C ATOM 1813 O GLU A 119 -1.650 9.278 -9.193 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.175 12.321 -8.481 1.00 0.00 C ATOM 1815 CG GLU A 119 -1.610 12.324 -7.071 1.00 0.00 C ATOM 1816 CD GLU A 119 -0.724 13.525 -6.800 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -0.236 14.133 -7.776 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -0.518 13.856 -5.614 1.00 0.00 O ATOM 0 H GLU A 119 -4.392 12.111 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.344 11.121 -9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.351 12.302 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.719 13.251 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.431 12.314 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.037 11.411 -6.911 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.682 9.342 -7.195 1.00 0.00 N ATOM 1826 CA TYR A 120 -2.082 8.099 -6.723 1.00 0.00 C ATOM 1827 C TYR A 120 -3.087 6.953 -6.778 1.00 0.00 C ATOM 1828 O TYR A 120 -4.006 6.880 -5.963 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.564 8.270 -5.294 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.137 8.764 -5.223 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.916 7.975 -5.670 1.00 0.00 C ATOM 1832 CD2 TYR A 120 0.160 10.020 -4.707 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.221 8.422 -5.606 1.00 0.00 C ATOM 1834 CE2 TYR A 120 1.462 10.476 -4.640 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.489 9.673 -5.091 1.00 0.00 C ATOM 1836 OH TYR A 120 3.788 10.123 -5.025 1.00 0.00 O ATOM 0 H TYR A 120 -3.311 9.787 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.246 7.856 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.209 8.971 -4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.635 7.315 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.710 6.995 -6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.642 10.651 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.027 7.795 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.675 11.455 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 120 3.803 11.023 -4.638 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.905 6.060 -7.746 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.795 4.917 -7.908 1.00 0.00 C ATOM 1848 C GLU A 121 -3.028 3.696 -8.406 1.00 0.00 C ATOM 1849 O GLU A 121 -2.157 3.806 -9.268 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.925 5.257 -8.883 1.00 0.00 C ATOM 1851 CG GLU A 121 -6.123 5.916 -8.221 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.926 6.769 -9.185 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.759 6.594 -10.410 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.719 7.610 -8.714 1.00 0.00 O ATOM 0 H GLU A 121 -2.149 6.106 -8.430 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.224 4.682 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.538 5.920 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.252 4.343 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.769 5.146 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.780 6.535 -7.392 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.359 2.533 -7.856 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.700 1.290 -8.242 1.00 0.00 C ATOM 1863 C TYR A 122 -3.720 0.248 -8.690 1.00 0.00 C ATOM 1864 O TYR A 122 -4.897 0.556 -8.874 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.875 0.743 -7.076 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.040 1.794 -6.379 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.585 2.593 -5.381 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.293 1.989 -6.720 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.826 3.554 -4.742 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.059 2.948 -6.085 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.495 3.728 -5.098 1.00 0.00 C ATOM 1872 OH TYR A 122 1.255 4.684 -4.464 1.00 0.00 O ATOM 0 H TYR A 122 -4.079 2.425 -7.142 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.036 1.506 -9.079 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.547 0.285 -6.350 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.218 -0.045 -7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.619 2.460 -5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.738 1.381 -7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.265 4.166 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.094 3.086 -6.361 1.00 0.00 H new ATOM 0 HH TYR A 122 1.065 5.564 -4.852 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.259 -0.986 -8.863 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.131 -2.074 -9.290 1.00 0.00 C ATOM 1884 C GLU A 123 -3.479 -3.429 -9.029 1.00 0.00 C ATOM 1885 O GLU A 123 -2.436 -3.749 -9.599 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.466 -1.935 -10.777 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.409 -3.010 -11.291 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.283 -3.231 -12.786 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.685 -2.333 -13.555 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -4.781 -4.302 -13.186 1.00 0.00 O ATOM 0 H GLU A 123 -2.287 -1.258 -8.714 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.052 -2.016 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.915 -0.957 -10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.542 -1.968 -11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.205 -3.946 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.436 -2.731 -11.054 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.101 -4.221 -8.161 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.583 -5.541 -7.823 1.00 0.00 C ATOM 1899 C VAL A 124 -3.518 -6.437 -9.055 1.00 0.00 C ATOM 1900 O VAL A 124 -4.526 -6.668 -9.723 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.448 -6.225 -6.749 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -3.907 -7.611 -6.429 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.516 -5.368 -5.494 1.00 0.00 C ATOM 0 H VAL A 124 -4.965 -3.971 -7.679 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.577 -5.396 -7.429 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.459 -6.337 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.532 -8.079 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -3.916 -8.222 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -2.886 -7.526 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.132 -5.867 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.511 -5.222 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -4.954 -4.400 -5.738 1.00 0.00 H new ATOM 1913 N THR A 125 -2.323 -6.941 -9.350 1.00 0.00 N ATOM 1914 CA THR A 125 -2.125 -7.812 -10.502 1.00 0.00 C ATOM 1915 C THR A 125 -0.974 -8.783 -10.266 1.00 0.00 C ATOM 1916 O THR A 125 0.014 -8.441 -9.617 1.00 0.00 O ATOM 1917 CB THR A 125 -1.843 -6.999 -11.779 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.787 -7.872 -12.913 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.533 -6.235 -11.656 1.00 0.00 C ATOM 0 H THR A 125 -1.478 -6.761 -8.807 1.00 0.00 H new ATOM 0 HA THR A 125 -3.049 -8.374 -10.635 1.00 0.00 H new ATOM 0 HB THR A 125 -2.653 -6.282 -11.913 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.609 -7.347 -13.721 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.355 -5.668 -12.570 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.589 -5.550 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.285 -6.938 -11.500 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.108 -9.994 -10.797 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.077 -11.014 -10.643 1.00 0.00 C ATOM 1929 C GLU A 126 0.916 -10.962 -11.800 1.00 0.00 C ATOM 1930 O GLU A 126 0.550 -11.176 -12.955 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.711 -12.404 -10.562 1.00 0.00 C ATOM 1932 CG GLU A 126 0.067 -13.379 -9.695 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.744 -14.604 -9.322 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.921 -14.683 -9.732 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.202 -15.484 -8.621 1.00 0.00 O ATOM 0 H GLU A 126 -1.920 -10.293 -11.337 1.00 0.00 H new ATOM 0 HA GLU A 126 0.461 -10.814 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.723 -12.310 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.796 -12.814 -11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.967 -13.691 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.391 -12.872 -8.786 1.00 0.00 H new ATOM 1942 N GLU A 127 2.174 -10.676 -11.480 1.00 0.00 N ATOM 1943 CA GLU A 127 3.220 -10.596 -12.494 1.00 0.00 C ATOM 1944 C GLU A 127 4.539 -11.144 -11.959 1.00 0.00 C ATOM 1945 O GLU A 127 4.957 -10.814 -10.849 1.00 0.00 O ATOM 1946 CB GLU A 127 3.406 -9.148 -12.952 1.00 0.00 C ATOM 1947 CG GLU A 127 2.234 -8.608 -13.755 1.00 0.00 C ATOM 1948 CD GLU A 127 1.880 -9.491 -14.936 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.776 -10.203 -15.435 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.705 -9.469 -15.361 1.00 0.00 O ATOM 0 H GLU A 127 2.494 -10.496 -10.528 1.00 0.00 H new ATOM 0 HA GLU A 127 2.913 -11.203 -13.345 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.558 -8.516 -12.077 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.311 -9.080 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.365 -8.513 -13.104 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.474 -7.607 -14.114 1.00 0.00 H new ATOM 1957 N ASP A 128 5.190 -11.985 -12.756 1.00 0.00 N ATOM 1958 CA ASP A 128 6.463 -12.580 -12.364 1.00 0.00 C ATOM 1959 C ASP A 128 7.468 -11.502 -11.970 1.00 0.00 C ATOM 1960 O ASP A 128 7.375 -10.359 -12.417 1.00 0.00 O ATOM 1961 CB ASP A 128 7.026 -13.428 -13.505 1.00 0.00 C ATOM 1962 CG ASP A 128 6.189 -14.663 -13.776 1.00 0.00 C ATOM 1963 OD1 ASP A 128 6.373 -15.673 -13.064 1.00 0.00 O ATOM 1964 OD2 ASP A 128 5.350 -14.619 -14.700 1.00 0.00 O ATOM 0 H ASP A 128 4.857 -12.270 -13.677 1.00 0.00 H new ATOM 0 HA ASP A 128 6.287 -13.220 -11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.080 -12.824 -14.410 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.045 -13.729 -13.261 1.00 0.00 H new ATOM 1969 N TRP A 129 8.427 -11.874 -11.130 1.00 0.00 N ATOM 1970 CA TRP A 129 9.450 -10.939 -10.675 1.00 0.00 C ATOM 1971 C TRP A 129 10.209 -10.345 -11.857 1.00 0.00 C ATOM 1972 O TRP A 129 10.623 -9.187 -11.820 1.00 0.00 O ATOM 1973 CB TRP A 129 10.425 -11.639 -9.727 1.00 0.00 C ATOM 1974 CG TRP A 129 11.694 -10.873 -9.509 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.918 -11.142 -10.052 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.865 -9.713 -8.686 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.839 -10.220 -9.617 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.217 -9.332 -8.779 1.00 0.00 C ATOM 1979 CE3 TRP A 129 11.006 -8.959 -7.882 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.729 -8.231 -8.097 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.515 -7.867 -7.205 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.866 -7.511 -7.317 1.00 0.00 C ATOM 0 H TRP A 129 8.518 -12.816 -10.750 1.00 0.00 H new ATOM 0 HA TRP A 129 8.954 -10.128 -10.141 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.935 -11.798 -8.766 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.667 -12.623 -10.128 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.131 -11.960 -10.725 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.825 -10.200 -9.876 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.963 -9.225 -7.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.770 -7.955 -8.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.861 -7.278 -6.579 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.233 -6.651 -6.777 1.00 0.00 H new ATOM 1993 N GLU A 130 10.386 -11.145 -12.903 1.00 0.00 N ATOM 1994 CA GLU A 130 11.096 -10.696 -14.095 1.00 0.00 C ATOM 1995 C GLU A 130 10.243 -9.722 -14.902 1.00 0.00 C ATOM 1996 O GLU A 130 10.709 -9.129 -15.876 1.00 0.00 O ATOM 1997 CB GLU A 130 11.484 -11.893 -14.966 1.00 0.00 C ATOM 1998 CG GLU A 130 12.084 -13.048 -14.182 1.00 0.00 C ATOM 1999 CD GLU A 130 13.332 -13.610 -14.835 1.00 0.00 C ATOM 2000 OE1 GLU A 130 13.214 -14.195 -15.932 1.00 0.00 O ATOM 2001 OE2 GLU A 130 14.425 -13.467 -14.249 1.00 0.00 O ATOM 0 H GLU A 130 10.048 -12.106 -12.950 1.00 0.00 H new ATOM 0 HA GLU A 130 12.001 -10.180 -13.774 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.600 -12.246 -15.498 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.200 -11.566 -15.720 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.326 -12.711 -13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.342 -13.840 -14.084 1.00 0.00 H new ATOM 2008 N THR A 131 8.989 -9.560 -14.490 1.00 0.00 N ATOM 2009 CA THR A 131 8.070 -8.660 -15.174 1.00 0.00 C ATOM 2010 C THR A 131 7.971 -7.322 -14.451 1.00 0.00 C ATOM 2011 O THR A 131 7.785 -6.279 -15.079 1.00 0.00 O ATOM 2012 CB THR A 131 6.662 -9.274 -15.288 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.719 -10.494 -16.037 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.701 -8.305 -15.960 1.00 0.00 C ATOM 0 H THR A 131 8.587 -10.041 -13.685 1.00 0.00 H new ATOM 0 HA THR A 131 8.471 -8.501 -16.175 1.00 0.00 H new ATOM 0 HB THR A 131 6.298 -9.482 -14.282 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.820 -10.879 -16.104 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.713 -8.761 -16.029 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.637 -7.389 -15.372 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.063 -8.069 -16.961 1.00 0.00 H new ATOM 2022 N ILE A 132 8.097 -7.359 -13.129 1.00 0.00 N ATOM 2023 CA ILE A 132 8.023 -6.148 -12.321 1.00 0.00 C ATOM 2024 C ILE A 132 9.415 -5.611 -12.007 1.00 0.00 C ATOM 2025 O ILE A 132 9.575 -4.446 -11.641 1.00 0.00 O ATOM 2026 CB ILE A 132 7.271 -6.397 -11.000 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.928 -7.078 -11.273 1.00 0.00 C ATOM 2028 CG2 ILE A 132 7.065 -5.088 -10.252 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.383 -7.837 -10.083 1.00 0.00 C ATOM 0 H ILE A 132 8.251 -8.214 -12.595 1.00 0.00 H new ATOM 0 HA ILE A 132 7.475 -5.411 -12.908 1.00 0.00 H new ATOM 0 HB ILE A 132 7.872 -7.058 -10.376 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.202 -6.323 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 132 6.042 -7.765 -12.111 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.532 -5.281 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.033 -4.640 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.482 -4.404 -10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.430 -8.294 -10.348 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.090 -8.615 -9.793 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.237 -7.150 -9.249 1.00 0.00 H new ATOM 2041 N TYR A 133 10.420 -6.467 -12.154 1.00 0.00 N ATOM 2042 CA TYR A 133 11.800 -6.079 -11.886 1.00 0.00 C ATOM 2043 C TYR A 133 12.170 -4.815 -12.656 1.00 0.00 C ATOM 2044 O TYR A 133 12.594 -3.810 -12.084 1.00 0.00 O ATOM 2045 CB TYR A 133 12.753 -7.215 -12.260 1.00 0.00 C ATOM 2046 CG TYR A 133 14.130 -6.741 -12.666 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.839 -5.845 -11.875 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.722 -7.188 -13.841 1.00 0.00 C ATOM 2049 CE1 TYR A 133 16.097 -5.409 -12.243 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.980 -6.758 -14.216 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.664 -5.868 -13.414 1.00 0.00 C ATOM 2052 OH TYR A 133 17.917 -5.437 -13.784 1.00 0.00 O ATOM 0 H TYR A 133 10.305 -7.434 -12.457 1.00 0.00 H new ATOM 0 HA TYR A 133 11.892 -5.873 -10.820 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.847 -7.893 -11.412 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.319 -7.787 -13.080 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.399 -5.484 -10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.189 -7.884 -14.472 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.634 -4.712 -11.617 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.426 -7.117 -15.132 1.00 0.00 H new ATOM 0 HH TYR A 133 18.170 -5.856 -14.633 1.00 0.00 H new ATOM 2062 N PRO A 134 12.006 -4.865 -13.986 1.00 0.00 N ATOM 2063 CA PRO A 134 12.316 -3.733 -14.864 1.00 0.00 C ATOM 2064 C PRO A 134 11.653 -2.440 -14.400 1.00 0.00 C ATOM 2065 O PRO A 134 12.304 -1.400 -14.297 1.00 0.00 O ATOM 2066 CB PRO A 134 11.749 -4.168 -16.218 1.00 0.00 C ATOM 2067 CG PRO A 134 11.783 -5.657 -16.181 1.00 0.00 C ATOM 2068 CD PRO A 134 11.506 -6.029 -14.735 1.00 0.00 C ATOM 0 HA PRO A 134 13.384 -3.514 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.733 -3.798 -16.359 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.347 -3.778 -17.042 1.00 0.00 H new ATOM 0 HG2 PRO A 134 11.034 -6.084 -16.847 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.752 -6.036 -16.506 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.443 -6.195 -14.559 1.00 0.00 H new ATOM 0 HD3 PRO A 134 12.024 -6.945 -14.449 1.00 0.00 H new ATOM 2076 N CYS A 135 10.356 -2.514 -14.121 1.00 0.00 N ATOM 2077 CA CYS A 135 9.605 -1.348 -13.668 1.00 0.00 C ATOM 2078 C CYS A 135 9.261 -1.466 -12.186 1.00 0.00 C ATOM 2079 O CYS A 135 8.090 -1.457 -11.807 1.00 0.00 O ATOM 2080 CB CYS A 135 8.325 -1.190 -14.489 1.00 0.00 C ATOM 2081 SG CYS A 135 8.577 -1.297 -16.277 1.00 0.00 S ATOM 0 H CYS A 135 9.803 -3.368 -14.200 1.00 0.00 H new ATOM 0 HA CYS A 135 10.230 -0.466 -13.809 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.615 -1.959 -14.186 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.872 -0.227 -14.254 1.00 0.00 H new ATOM 0 HG CYS A 135 7.437 -1.154 -16.885 1.00 0.00 H new ATOM 2087 N LEU A 136 10.290 -1.577 -11.353 1.00 0.00 N ATOM 2088 CA LEU A 136 10.098 -1.698 -9.912 1.00 0.00 C ATOM 2089 C LEU A 136 10.015 -0.323 -9.257 1.00 0.00 C ATOM 2090 O LEU A 136 10.702 0.613 -9.666 1.00 0.00 O ATOM 2091 CB LEU A 136 11.240 -2.503 -9.291 1.00 0.00 C ATOM 2092 CG LEU A 136 10.875 -3.894 -8.770 1.00 0.00 C ATOM 2093 CD1 LEU A 136 12.063 -4.527 -8.062 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.676 -3.815 -7.836 1.00 0.00 C ATOM 0 H LEU A 136 11.266 -1.586 -11.651 1.00 0.00 H new ATOM 0 HA LEU A 136 9.157 -2.221 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 136 12.028 -2.611 -10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.658 -1.926 -8.466 1.00 0.00 H new ATOM 0 HG LEU A 136 10.608 -4.522 -9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.785 -5.516 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.896 -4.618 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.361 -3.901 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.430 -4.813 -7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.916 -3.172 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.822 -3.403 -8.374 1.00 0.00 H new ATOM 2106 N SER A 137 9.171 -0.209 -8.236 1.00 0.00 N ATOM 2107 CA SER A 137 8.997 1.051 -7.524 1.00 0.00 C ATOM 2108 C SER A 137 10.260 1.416 -6.750 1.00 0.00 C ATOM 2109 O SER A 137 11.092 0.566 -6.432 1.00 0.00 O ATOM 2110 CB SER A 137 7.807 0.962 -6.568 1.00 0.00 C ATOM 2111 OG SER A 137 8.105 1.571 -5.324 1.00 0.00 O ATOM 0 H SER A 137 8.597 -0.975 -7.884 1.00 0.00 H new ATOM 0 HA SER A 137 8.804 1.832 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.940 1.448 -7.016 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.541 -0.083 -6.410 1.00 0.00 H new ATOM 0 HG SER A 137 7.700 1.050 -4.599 1.00 0.00 H new ATOM 2117 N PRO A 138 10.407 2.712 -6.437 1.00 0.00 N ATOM 2118 CA PRO A 138 11.565 3.221 -5.695 1.00 0.00 C ATOM 2119 C PRO A 138 11.565 2.769 -4.239 1.00 0.00 C ATOM 2120 O PRO A 138 10.995 3.433 -3.372 1.00 0.00 O ATOM 2121 CB PRO A 138 11.403 4.741 -5.784 1.00 0.00 C ATOM 2122 CG PRO A 138 9.942 4.955 -5.980 1.00 0.00 C ATOM 2123 CD PRO A 138 9.455 3.781 -6.783 1.00 0.00 C ATOM 0 HA PRO A 138 12.506 2.854 -6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.757 5.231 -4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.978 5.153 -6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.425 5.014 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.752 5.892 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.433 3.510 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.462 3.995 -7.852 1.00 0.00 H new ATOM 2131 N LYS A 139 12.207 1.636 -3.976 1.00 0.00 N ATOM 2132 CA LYS A 139 12.283 1.095 -2.624 1.00 0.00 C ATOM 2133 C LYS A 139 13.215 1.932 -1.755 1.00 0.00 C ATOM 2134 O LYS A 139 14.337 2.245 -2.154 1.00 0.00 O ATOM 2135 CB LYS A 139 12.767 -0.356 -2.660 1.00 0.00 C ATOM 2136 CG LYS A 139 11.665 -1.359 -2.953 1.00 0.00 C ATOM 2137 CD LYS A 139 11.797 -2.602 -2.089 1.00 0.00 C ATOM 2138 CE LYS A 139 12.337 -3.780 -2.887 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.445 -4.134 -4.026 1.00 0.00 N ATOM 0 H LYS A 139 12.683 1.074 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 139 11.284 1.127 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.545 -0.452 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.224 -0.601 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.694 -0.895 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.699 -1.641 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.461 -2.394 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 139 10.825 -2.860 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 139 13.330 -3.538 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 139 12.448 -4.643 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 11.493 -5.158 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 10.466 -3.867 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.752 -3.624 -4.879 1.00 0.00 H new ATOM 2153 N SER A 140 12.745 2.290 -0.564 1.00 0.00 N ATOM 2154 CA SER A 140 13.536 3.093 0.361 1.00 0.00 C ATOM 2155 C SER A 140 14.004 2.253 1.545 1.00 0.00 C ATOM 2156 O SER A 140 14.202 2.768 2.645 1.00 0.00 O ATOM 2157 CB SER A 140 12.720 4.288 0.858 1.00 0.00 C ATOM 2158 OG SER A 140 13.566 5.313 1.350 1.00 0.00 O ATOM 0 H SER A 140 11.820 2.036 -0.217 1.00 0.00 H new ATOM 0 HA SER A 140 14.414 3.459 -0.172 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.107 4.677 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.039 3.965 1.645 1.00 0.00 H new ATOM 0 HG SER A 140 14.178 4.940 2.018 1.00 0.00 H new