USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 GLN :FLIP amide:sc= 0.373 F(o=-0.0069,f=0.78) USER MOD Set 1.2: A 125 THR OG1 : rot 41:sc= 0.407 USER MOD Set 2.1: A 73 GLN : amide:sc= -0.68 K(o=-1.2,f=-1.8) USER MOD Set 2.2: A 101 HIS : no HD1:sc= -0.541 X(o=-1.2,f=-0.94) USER MOD Set 3.1: A 52 SER OG : rot -153:sc= 1.72 USER MOD Set 3.2: A 120 TYR OH : rot 139:sc= 1.25 USER MOD Set 4.1: A 48 TYR OH : rot -178:sc= 0.133 USER MOD Set 4.2: A 139 LYS NZ :NH3+ 150:sc=-0.00206 (180deg=-0.269) USER MOD Single : A 17 SER OG : rot 30:sc= 0.00418 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.329 USER MOD Single : A 25 MET CE :methyl -133:sc= -0.815 (180deg=-2.77!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.261 USER MOD Single : A 39 THR OG1 : rot -169:sc= -0.181 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 145:sc= 0.612 USER MOD Single : A 58 MET CE :methyl -131:sc= -1.97 (180deg=-6.68!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.68) USER MOD Single : A 63 HIS : no HD1:sc= -0.049 K(o=-0.049,f=-2.6!) USER MOD Single : A 64 CYS SG : rot 170:sc= -0.833 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.7!) USER MOD Single : A 69 ASN : amide:sc= -0.681 K(o=-0.68,f=-9.8!) USER MOD Single : A 75 THR OG1 : rot 28:sc= 1.12 USER MOD Single : A 77 MET CE :methyl -119:sc= -0.259 (180deg=-0.514) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 80 LYS NZ :NH3+ -112:sc= -1.59! (180deg=-5.18!) USER MOD Single : A 81 SER OG : rot -58:sc= 0.898 USER MOD Single : A 83 ASN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 88 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.6!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 105 TYR OH : rot -38:sc= 0.252 USER MOD Single : A 107 GLN : amide:sc= 0.108 X(o=0.11,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc=-0.00309 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 -144:sc= -0.0206 USER MOD Single : A 137 SER OG : rot -113:sc= 1.14 USER MOD Single : A 140 SER OG : rot -102:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 9.118 -17.765 -10.056 1.00 0.00 N ATOM 157 CA GLY A 15 7.755 -17.844 -10.549 1.00 0.00 C ATOM 158 C GLY A 15 7.055 -16.500 -10.537 1.00 0.00 C ATOM 159 O GLY A 15 7.704 -15.454 -10.545 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.762 -18.237 -11.566 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.191 -18.549 -9.938 1.00 0.00 H new ATOM 163 N ARG A 16 5.726 -16.527 -10.520 1.00 0.00 N ATOM 164 CA ARG A 16 4.937 -15.300 -10.510 1.00 0.00 C ATOM 165 C ARG A 16 5.084 -14.571 -9.178 1.00 0.00 C ATOM 166 O ARG A 16 5.367 -15.185 -8.150 1.00 0.00 O ATOM 167 CB ARG A 16 3.463 -15.615 -10.772 1.00 0.00 C ATOM 168 CG ARG A 16 3.037 -15.379 -12.212 1.00 0.00 C ATOM 169 CD ARG A 16 2.044 -16.431 -12.679 1.00 0.00 C ATOM 170 NE ARG A 16 1.872 -16.416 -14.129 1.00 0.00 N ATOM 171 CZ ARG A 16 1.211 -15.467 -14.781 1.00 0.00 C ATOM 172 NH1 ARG A 16 0.663 -14.459 -14.115 1.00 0.00 N ATOM 173 NH2 ARG A 16 1.097 -15.523 -16.102 1.00 0.00 N ATOM 0 H ARG A 16 5.173 -17.384 -10.513 1.00 0.00 H new ATOM 0 HA ARG A 16 5.309 -14.651 -11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.270 -16.656 -10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.847 -15.002 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.589 -14.389 -12.303 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.914 -15.393 -12.859 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.386 -17.417 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.081 -16.259 -12.198 1.00 0.00 H new ATOM 0 HE ARG A 16 2.282 -17.177 -14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.749 -14.412 -13.100 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.156 -13.731 -14.618 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.518 -16.296 -16.618 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.589 -14.793 -16.601 1.00 0.00 H new ATOM 187 N SER A 17 4.890 -13.256 -9.205 1.00 0.00 N ATOM 188 CA SER A 17 5.005 -12.441 -8.001 1.00 0.00 C ATOM 189 C SER A 17 4.010 -11.285 -8.031 1.00 0.00 C ATOM 190 O SER A 17 4.160 -10.343 -8.809 1.00 0.00 O ATOM 191 CB SER A 17 6.429 -11.901 -7.859 1.00 0.00 C ATOM 192 OG SER A 17 7.224 -12.761 -7.062 1.00 0.00 O ATOM 0 H SER A 17 4.652 -12.732 -10.047 1.00 0.00 H new ATOM 0 HA SER A 17 4.777 -13.071 -7.142 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.880 -11.794 -8.845 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.401 -10.908 -7.411 1.00 0.00 H new ATOM 0 HG SER A 17 6.906 -13.683 -7.158 1.00 0.00 H new ATOM 198 N TRP A 18 2.995 -11.364 -7.179 1.00 0.00 N ATOM 199 CA TRP A 18 1.975 -10.324 -7.107 1.00 0.00 C ATOM 200 C TRP A 18 2.610 -8.949 -6.938 1.00 0.00 C ATOM 201 O TRP A 18 3.798 -8.837 -6.630 1.00 0.00 O ATOM 202 CB TRP A 18 1.015 -10.602 -5.948 1.00 0.00 C ATOM 203 CG TRP A 18 0.152 -11.808 -6.168 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.442 -13.097 -5.820 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.139 -11.837 -6.786 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.592 -13.925 -6.185 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.574 -13.177 -6.778 1.00 0.00 C ATOM 208 CE3 TRP A 18 -1.970 -10.862 -7.342 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -2.803 -13.563 -7.307 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.190 -11.247 -7.867 1.00 0.00 C ATOM 211 CH2 TRP A 18 -3.597 -12.587 -7.846 1.00 0.00 C ATOM 0 H TRP A 18 2.856 -12.137 -6.528 1.00 0.00 H new ATOM 0 HA TRP A 18 1.416 -10.333 -8.043 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.591 -10.738 -5.033 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.378 -9.731 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.350 -13.418 -5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.623 -14.934 -6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.665 -9.826 -7.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.118 -14.596 -7.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.840 -10.502 -8.301 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.556 -12.855 -8.263 1.00 0.00 H new ATOM 222 N CYS A 19 1.814 -7.905 -7.140 1.00 0.00 N ATOM 223 CA CYS A 19 2.300 -6.536 -7.010 1.00 0.00 C ATOM 224 C CYS A 19 1.149 -5.539 -7.104 1.00 0.00 C ATOM 225 O CYS A 19 -0.020 -5.926 -7.149 1.00 0.00 O ATOM 226 CB CYS A 19 3.339 -6.237 -8.092 1.00 0.00 C ATOM 227 SG CYS A 19 2.647 -6.071 -9.754 1.00 0.00 S ATOM 0 H CYS A 19 0.829 -7.980 -7.394 1.00 0.00 H new ATOM 0 HA CYS A 19 2.766 -6.434 -6.030 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.862 -5.316 -7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.082 -7.034 -8.097 1.00 0.00 H new ATOM 0 HG CYS A 19 3.558 -5.611 -10.559 1.00 0.00 H new ATOM 233 N LEU A 20 1.487 -4.255 -7.133 1.00 0.00 N ATOM 234 CA LEU A 20 0.482 -3.201 -7.220 1.00 0.00 C ATOM 235 C LEU A 20 0.691 -2.351 -8.468 1.00 0.00 C ATOM 236 O LEU A 20 1.179 -1.223 -8.389 1.00 0.00 O ATOM 237 CB LEU A 20 0.532 -2.317 -5.972 1.00 0.00 C ATOM 238 CG LEU A 20 0.223 -3.011 -4.645 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.463 -2.064 -3.479 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.209 -3.524 -4.632 1.00 0.00 C ATOM 0 H LEU A 20 2.449 -3.918 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.499 -3.673 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.526 -1.874 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.174 -1.497 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 20 0.894 -3.864 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.238 -2.575 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.506 -1.746 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.182 -1.191 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.411 -4.015 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.896 -2.688 -4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.347 -4.237 -5.445 1.00 0.00 H new ATOM 252 N ARG A 21 0.316 -2.898 -9.620 1.00 0.00 N ATOM 253 CA ARG A 21 0.462 -2.189 -10.886 1.00 0.00 C ATOM 254 C ARG A 21 -0.156 -0.796 -10.803 1.00 0.00 C ATOM 255 O ARG A 21 -1.328 -0.646 -10.457 1.00 0.00 O ATOM 256 CB ARG A 21 -0.194 -2.983 -12.018 1.00 0.00 C ATOM 257 CG ARG A 21 0.437 -2.738 -13.378 1.00 0.00 C ATOM 258 CD ARG A 21 -0.330 -3.445 -14.484 1.00 0.00 C ATOM 259 NE ARG A 21 -1.615 -2.805 -14.755 1.00 0.00 N ATOM 260 CZ ARG A 21 -2.586 -3.375 -15.459 1.00 0.00 C ATOM 261 NH1 ARG A 21 -2.419 -4.590 -15.962 1.00 0.00 N ATOM 262 NH2 ARG A 21 -3.727 -2.728 -15.663 1.00 0.00 N ATOM 0 H ARG A 21 -0.091 -3.830 -9.703 1.00 0.00 H new ATOM 0 HA ARG A 21 1.527 -2.084 -11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.135 -4.046 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.252 -2.725 -12.066 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.464 -1.667 -13.580 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.470 -3.087 -13.369 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.270 -3.452 -15.394 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.495 -4.485 -14.203 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.775 -1.869 -14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.543 -5.089 -15.809 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.167 -5.025 -16.502 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.858 -1.792 -15.279 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.472 -3.167 -16.204 1.00 0.00 H new ATOM 276 N ARG A 22 0.641 0.218 -11.122 1.00 0.00 N ATOM 277 CA ARG A 22 0.173 1.599 -11.082 1.00 0.00 C ATOM 278 C ARG A 22 -0.722 1.904 -12.280 1.00 0.00 C ATOM 279 O ARG A 22 -0.431 1.498 -13.405 1.00 0.00 O ATOM 280 CB ARG A 22 1.361 2.562 -11.061 1.00 0.00 C ATOM 281 CG ARG A 22 1.008 3.955 -10.566 1.00 0.00 C ATOM 282 CD ARG A 22 0.924 4.002 -9.048 1.00 0.00 C ATOM 283 NE ARG A 22 1.784 5.039 -8.484 1.00 0.00 N ATOM 284 CZ ARG A 22 1.567 6.340 -8.643 1.00 0.00 C ATOM 285 NH1 ARG A 22 0.522 6.761 -9.343 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.394 7.223 -8.099 1.00 0.00 N ATOM 0 H ARG A 22 1.613 0.110 -11.411 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.410 1.733 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.143 2.147 -10.425 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.775 2.637 -12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.758 4.666 -10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.054 4.264 -10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.108 4.184 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.209 3.033 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 22 2.595 4.749 -7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.118 6.085 -9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.358 7.761 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.197 6.903 -7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.226 8.222 -8.222 1.00 0.00 H new ATOM 300 N VAL A 23 -1.812 2.623 -12.029 1.00 0.00 N ATOM 301 CA VAL A 23 -2.749 2.984 -13.086 1.00 0.00 C ATOM 302 C VAL A 23 -2.306 4.254 -13.804 1.00 0.00 C ATOM 303 O VAL A 23 -1.743 5.161 -13.192 1.00 0.00 O ATOM 304 CB VAL A 23 -4.170 3.191 -12.530 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.159 3.424 -13.662 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.589 1.999 -11.682 1.00 0.00 C ATOM 0 H VAL A 23 -2.067 2.967 -11.103 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.761 2.155 -13.794 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.167 4.077 -11.895 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.157 3.568 -13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.867 4.311 -14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.162 2.560 -14.326 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.596 2.162 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.576 1.096 -12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.896 1.884 -10.848 1.00 0.00 H new ATOM 316 N GLY A 24 -2.564 4.312 -15.107 1.00 0.00 N ATOM 317 CA GLY A 24 -2.185 5.476 -15.887 1.00 0.00 C ATOM 318 C GLY A 24 -0.685 5.586 -16.073 1.00 0.00 C ATOM 319 O GLY A 24 -0.188 6.593 -16.577 1.00 0.00 O ATOM 0 H GLY A 24 -3.029 3.574 -15.636 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.666 5.427 -16.864 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.554 6.376 -15.394 1.00 0.00 H new ATOM 323 N MET A 25 0.038 4.549 -15.663 1.00 0.00 N ATOM 324 CA MET A 25 1.491 4.535 -15.786 1.00 0.00 C ATOM 325 C MET A 25 2.047 3.141 -15.512 1.00 0.00 C ATOM 326 O MET A 25 1.681 2.500 -14.527 1.00 0.00 O ATOM 327 CB MET A 25 2.117 5.544 -14.822 1.00 0.00 C ATOM 328 CG MET A 25 1.337 5.712 -13.528 1.00 0.00 C ATOM 329 SD MET A 25 2.058 6.955 -12.438 1.00 0.00 S ATOM 330 CE MET A 25 3.585 6.146 -11.966 1.00 0.00 C ATOM 0 H MET A 25 -0.358 3.708 -15.243 1.00 0.00 H new ATOM 0 HA MET A 25 1.746 4.814 -16.808 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.133 5.227 -14.586 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.193 6.511 -15.319 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.310 5.991 -13.761 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.297 4.756 -13.006 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.718 6.221 -10.887 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.545 5.096 -12.255 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.423 6.629 -12.469 1.00 0.00 H new ATOM 340 N SER A 26 2.931 2.678 -16.390 1.00 0.00 N ATOM 341 CA SER A 26 3.533 1.358 -16.244 1.00 0.00 C ATOM 342 C SER A 26 4.820 1.435 -15.427 1.00 0.00 C ATOM 343 O SER A 26 5.843 0.866 -15.805 1.00 0.00 O ATOM 344 CB SER A 26 3.824 0.752 -17.618 1.00 0.00 C ATOM 345 OG SER A 26 2.654 0.190 -18.186 1.00 0.00 O ATOM 0 H SER A 26 3.246 3.197 -17.210 1.00 0.00 H new ATOM 0 HA SER A 26 2.825 0.720 -15.716 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.221 1.521 -18.281 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.592 -0.016 -17.525 1.00 0.00 H new ATOM 0 HG SER A 26 2.866 -0.189 -19.064 1.00 0.00 H new ATOM 351 N ALA A 27 4.758 2.143 -14.304 1.00 0.00 N ATOM 352 CA ALA A 27 5.916 2.293 -13.432 1.00 0.00 C ATOM 353 C ALA A 27 5.501 2.304 -11.964 1.00 0.00 C ATOM 354 O ALA A 27 4.312 2.320 -11.646 1.00 0.00 O ATOM 355 CB ALA A 27 6.675 3.566 -13.777 1.00 0.00 C ATOM 0 H ALA A 27 3.919 2.621 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 27 6.572 1.437 -13.591 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.537 3.665 -13.118 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.013 3.519 -14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.019 4.427 -13.648 1.00 0.00 H new ATOM 361 N GLY A 28 6.488 2.295 -11.074 1.00 0.00 N ATOM 362 CA GLY A 28 6.204 2.303 -9.651 1.00 0.00 C ATOM 363 C GLY A 28 5.400 1.095 -9.213 1.00 0.00 C ATOM 364 O GLY A 28 4.560 1.191 -8.319 1.00 0.00 O ATOM 0 H GLY A 28 7.480 2.282 -11.313 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.142 2.332 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.657 3.211 -9.398 1.00 0.00 H new ATOM 368 N TRP A 29 5.656 -0.044 -9.846 1.00 0.00 N ATOM 369 CA TRP A 29 4.949 -1.276 -9.517 1.00 0.00 C ATOM 370 C TRP A 29 5.437 -1.847 -8.190 1.00 0.00 C ATOM 371 O TRP A 29 6.490 -2.483 -8.127 1.00 0.00 O ATOM 372 CB TRP A 29 5.135 -2.308 -10.630 1.00 0.00 C ATOM 373 CG TRP A 29 4.492 -1.910 -11.924 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.856 -0.732 -12.194 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.421 -2.690 -13.122 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.394 -0.733 -13.488 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.729 -1.923 -14.079 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.877 -3.962 -13.481 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.481 -2.387 -15.368 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.631 -4.421 -14.760 1.00 0.00 C ATOM 381 CH2 TRP A 29 3.939 -3.635 -15.692 1.00 0.00 C ATOM 0 H TRP A 29 6.348 -0.140 -10.590 1.00 0.00 H new ATOM 0 HA TRP A 29 3.889 -1.042 -9.422 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.201 -2.465 -10.796 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.719 -3.262 -10.304 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.734 0.081 -11.493 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.884 0.029 -13.936 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.412 -4.575 -12.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.946 -1.783 -16.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.978 -5.403 -15.047 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.764 -4.022 -16.685 1.00 0.00 H new ATOM 392 N LEU A 30 4.666 -1.618 -7.133 1.00 0.00 N ATOM 393 CA LEU A 30 5.021 -2.111 -5.806 1.00 0.00 C ATOM 394 C LEU A 30 4.973 -3.635 -5.761 1.00 0.00 C ATOM 395 O LEU A 30 3.900 -4.236 -5.821 1.00 0.00 O ATOM 396 CB LEU A 30 4.075 -1.528 -4.755 1.00 0.00 C ATOM 397 CG LEU A 30 3.707 -0.054 -4.926 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.814 0.409 -3.785 1.00 0.00 C ATOM 399 CD2 LEU A 30 4.962 0.803 -5.005 1.00 0.00 C ATOM 0 H LEU A 30 3.791 -1.094 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 30 6.040 -1.792 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.156 -2.114 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.531 -1.656 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 30 3.156 0.057 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.562 1.460 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.900 -0.185 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.339 0.283 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.681 1.849 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.540 0.687 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.565 0.488 -5.857 1.00 0.00 H new ATOM 411 N LEU A 31 6.143 -4.255 -5.652 1.00 0.00 N ATOM 412 CA LEU A 31 6.236 -5.709 -5.596 1.00 0.00 C ATOM 413 C LEU A 31 5.596 -6.247 -4.320 1.00 0.00 C ATOM 414 O LEU A 31 5.848 -5.741 -3.225 1.00 0.00 O ATOM 415 CB LEU A 31 7.699 -6.150 -5.671 1.00 0.00 C ATOM 416 CG LEU A 31 7.964 -7.639 -5.446 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.567 -8.443 -6.675 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.427 -7.875 -5.103 1.00 0.00 C ATOM 0 H LEU A 31 7.040 -3.773 -5.601 1.00 0.00 H new ATOM 0 HA LEU A 31 5.696 -6.116 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.090 -5.876 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.266 -5.585 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 31 7.356 -7.973 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.763 -9.500 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.505 -8.299 -6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.148 -8.106 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.597 -8.940 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.054 -7.524 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.680 -7.330 -4.194 1.00 0.00 H new ATOM 430 N LEU A 32 4.770 -7.276 -4.467 1.00 0.00 N ATOM 431 CA LEU A 32 4.095 -7.885 -3.325 1.00 0.00 C ATOM 432 C LEU A 32 4.603 -9.303 -3.086 1.00 0.00 C ATOM 433 O LEU A 32 3.888 -10.277 -3.320 1.00 0.00 O ATOM 434 CB LEU A 32 2.583 -7.905 -3.553 1.00 0.00 C ATOM 435 CG LEU A 32 1.878 -6.549 -3.494 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.456 -6.663 -4.023 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.877 -6.010 -2.071 1.00 0.00 C ATOM 0 H LEU A 32 4.551 -7.707 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 32 4.315 -7.286 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.389 -8.351 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.132 -8.560 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 32 2.424 -5.849 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.030 -5.689 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.479 -7.005 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.101 -7.378 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.371 -5.045 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.355 -6.709 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.904 -5.890 -1.727 1.00 0.00 H new ATOM 449 N GLU A 33 5.841 -9.411 -2.614 1.00 0.00 N ATOM 450 CA GLU A 33 6.444 -10.711 -2.341 1.00 0.00 C ATOM 451 C GLU A 33 5.565 -11.531 -1.401 1.00 0.00 C ATOM 452 O GLU A 33 5.175 -11.061 -0.332 1.00 0.00 O ATOM 453 CB GLU A 33 7.836 -10.535 -1.732 1.00 0.00 C ATOM 454 CG GLU A 33 8.963 -10.981 -2.650 1.00 0.00 C ATOM 455 CD GLU A 33 10.332 -10.783 -2.030 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.628 -9.653 -1.590 1.00 0.00 O ATOM 457 OE2 GLU A 33 11.109 -11.761 -1.985 1.00 0.00 O ATOM 0 H GLU A 33 6.446 -8.615 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 33 6.535 -11.247 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.981 -9.486 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.891 -11.101 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.829 -12.034 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.907 -10.423 -3.585 1.00 0.00 H new ATOM 464 N ASP A 34 5.258 -12.758 -1.807 1.00 0.00 N ATOM 465 CA ASP A 34 4.426 -13.644 -1.002 1.00 0.00 C ATOM 466 C ASP A 34 5.043 -13.865 0.376 1.00 0.00 C ATOM 467 O ASP A 34 6.130 -14.428 0.498 1.00 0.00 O ATOM 468 CB ASP A 34 4.238 -14.986 -1.711 1.00 0.00 C ATOM 469 CG ASP A 34 3.693 -16.058 -0.787 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.488 -16.641 -0.021 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.471 -16.312 -0.830 1.00 0.00 O ATOM 0 H ASP A 34 5.573 -13.162 -2.689 1.00 0.00 H new ATOM 0 HA ASP A 34 3.453 -13.170 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.558 -14.857 -2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.193 -15.314 -2.120 1.00 0.00 H new ATOM 476 N GLY A 35 4.341 -13.415 1.412 1.00 0.00 N ATOM 477 CA GLY A 35 4.836 -13.572 2.767 1.00 0.00 C ATOM 478 C GLY A 35 5.733 -12.426 3.193 1.00 0.00 C ATOM 479 O GLY A 35 6.486 -12.546 4.160 1.00 0.00 O ATOM 0 H GLY A 35 3.439 -12.945 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.992 -13.643 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.388 -14.509 2.843 1.00 0.00 H new ATOM 483 N CYS A 36 5.653 -11.315 2.470 1.00 0.00 N ATOM 484 CA CYS A 36 6.466 -10.143 2.777 1.00 0.00 C ATOM 485 C CYS A 36 5.589 -8.915 2.993 1.00 0.00 C ATOM 486 O CYS A 36 4.902 -8.463 2.078 1.00 0.00 O ATOM 487 CB CYS A 36 7.465 -9.880 1.649 1.00 0.00 C ATOM 488 SG CYS A 36 8.987 -10.849 1.770 1.00 0.00 S ATOM 0 H CYS A 36 5.034 -11.201 1.667 1.00 0.00 H new ATOM 0 HA CYS A 36 7.014 -10.342 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.984 -10.096 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.721 -8.820 1.644 1.00 0.00 H new ATOM 0 HG CYS A 36 9.767 -10.559 0.771 1.00 0.00 H new ATOM 494 N GLU A 37 5.617 -8.380 4.210 1.00 0.00 N ATOM 495 CA GLU A 37 4.822 -7.205 4.547 1.00 0.00 C ATOM 496 C GLU A 37 5.244 -6.004 3.706 1.00 0.00 C ATOM 497 O GLU A 37 6.431 -5.701 3.587 1.00 0.00 O ATOM 498 CB GLU A 37 4.963 -6.875 6.034 1.00 0.00 C ATOM 499 CG GLU A 37 3.686 -6.344 6.663 1.00 0.00 C ATOM 500 CD GLU A 37 3.954 -5.391 7.812 1.00 0.00 C ATOM 501 OE1 GLU A 37 4.970 -4.667 7.757 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.149 -5.370 8.766 1.00 0.00 O ATOM 0 H GLU A 37 6.182 -8.742 4.979 1.00 0.00 H new ATOM 0 HA GLU A 37 3.778 -7.430 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.276 -7.772 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.755 -6.136 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.096 -5.833 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.087 -7.181 7.022 1.00 0.00 H new ATOM 509 N VAL A 38 4.263 -5.323 3.123 1.00 0.00 N ATOM 510 CA VAL A 38 4.531 -4.154 2.293 1.00 0.00 C ATOM 511 C VAL A 38 3.893 -2.902 2.884 1.00 0.00 C ATOM 512 O VAL A 38 2.682 -2.702 2.785 1.00 0.00 O ATOM 513 CB VAL A 38 4.009 -4.354 0.857 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.354 -3.151 -0.008 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.576 -5.632 0.258 1.00 0.00 C ATOM 0 H VAL A 38 3.275 -5.561 3.210 1.00 0.00 H new ATOM 0 HA VAL A 38 5.613 -4.028 2.264 1.00 0.00 H new ATOM 0 HB VAL A 38 2.924 -4.447 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.978 -3.310 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.896 -2.256 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.436 -3.024 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.197 -5.758 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.664 -5.571 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.274 -6.484 0.866 1.00 0.00 H new ATOM 525 N THR A 39 4.717 -2.060 3.500 1.00 0.00 N ATOM 526 CA THR A 39 4.234 -0.827 4.109 1.00 0.00 C ATOM 527 C THR A 39 4.524 0.376 3.219 1.00 0.00 C ATOM 528 O THR A 39 5.642 0.544 2.730 1.00 0.00 O ATOM 529 CB THR A 39 4.873 -0.595 5.491 1.00 0.00 C ATOM 530 OG1 THR A 39 6.263 -0.285 5.343 1.00 0.00 O ATOM 531 CG2 THR A 39 4.713 -1.823 6.374 1.00 0.00 C ATOM 0 H THR A 39 5.722 -2.210 3.590 1.00 0.00 H new ATOM 0 HA THR A 39 3.156 -0.935 4.229 1.00 0.00 H new ATOM 0 HB THR A 39 4.363 0.243 5.966 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.699 -0.310 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.172 -1.635 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.653 -2.038 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.199 -2.677 5.902 1.00 0.00 H new ATOM 539 N VAL A 40 3.512 1.212 3.013 1.00 0.00 N ATOM 540 CA VAL A 40 3.660 2.402 2.182 1.00 0.00 C ATOM 541 C VAL A 40 3.403 3.670 2.988 1.00 0.00 C ATOM 542 O VAL A 40 2.626 3.666 3.942 1.00 0.00 O ATOM 543 CB VAL A 40 2.699 2.369 0.979 1.00 0.00 C ATOM 544 CG1 VAL A 40 3.001 3.513 0.023 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.787 1.029 0.264 1.00 0.00 C ATOM 0 H VAL A 40 2.581 1.088 3.410 1.00 0.00 H new ATOM 0 HA VAL A 40 4.687 2.408 1.818 1.00 0.00 H new ATOM 0 HB VAL A 40 1.680 2.493 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.312 3.474 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.883 4.463 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.025 3.423 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.101 1.023 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.805 0.873 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.517 0.230 0.954 1.00 0.00 H new ATOM 555 N GLY A 41 4.063 4.757 2.598 1.00 0.00 N ATOM 556 CA GLY A 41 3.893 6.018 3.295 1.00 0.00 C ATOM 557 C GLY A 41 4.967 7.026 2.939 1.00 0.00 C ATOM 558 O GLY A 41 5.576 6.944 1.872 1.00 0.00 O ATOM 0 H GLY A 41 4.712 4.786 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.915 6.434 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.908 5.840 4.370 1.00 0.00 H new ATOM 562 N ARG A 42 5.200 7.981 3.834 1.00 0.00 N ATOM 563 CA ARG A 42 6.206 9.012 3.607 1.00 0.00 C ATOM 564 C ARG A 42 7.198 9.067 4.765 1.00 0.00 C ATOM 565 O ARG A 42 7.614 10.144 5.189 1.00 0.00 O ATOM 566 CB ARG A 42 5.538 10.376 3.429 1.00 0.00 C ATOM 567 CG ARG A 42 4.789 10.854 4.662 1.00 0.00 C ATOM 568 CD ARG A 42 4.681 12.371 4.695 1.00 0.00 C ATOM 569 NE ARG A 42 4.614 12.885 6.060 1.00 0.00 N ATOM 570 CZ ARG A 42 4.878 14.146 6.385 1.00 0.00 C ATOM 571 NH1 ARG A 42 5.224 15.016 5.447 1.00 0.00 N ATOM 572 NH2 ARG A 42 4.795 14.538 7.650 1.00 0.00 N ATOM 0 H ARG A 42 4.706 8.062 4.723 1.00 0.00 H new ATOM 0 HA ARG A 42 6.750 8.760 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.299 11.112 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.844 10.324 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.791 10.417 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.301 10.505 5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.540 12.807 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.793 12.683 4.146 1.00 0.00 H new ATOM 0 HE ARG A 42 4.350 12.240 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.288 14.718 4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.426 15.984 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.528 13.871 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.998 15.506 7.898 1.00 0.00 H new ATOM 586 N GLY A 43 7.572 7.897 5.274 1.00 0.00 N ATOM 587 CA GLY A 43 8.512 7.834 6.379 1.00 0.00 C ATOM 588 C GLY A 43 9.848 7.247 5.970 1.00 0.00 C ATOM 589 O GLY A 43 10.020 6.805 4.834 1.00 0.00 O ATOM 0 H GLY A 43 7.241 6.991 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.666 8.836 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.085 7.233 7.182 1.00 0.00 H new ATOM 593 N PHE A 44 10.799 7.242 6.899 1.00 0.00 N ATOM 594 CA PHE A 44 12.128 6.707 6.629 1.00 0.00 C ATOM 595 C PHE A 44 12.259 5.282 7.160 1.00 0.00 C ATOM 596 O PHE A 44 12.900 5.045 8.183 1.00 0.00 O ATOM 597 CB PHE A 44 13.198 7.599 7.262 1.00 0.00 C ATOM 598 CG PHE A 44 14.602 7.178 6.933 1.00 0.00 C ATOM 599 CD1 PHE A 44 15.144 7.442 5.685 1.00 0.00 C ATOM 600 CD2 PHE A 44 15.379 6.517 7.870 1.00 0.00 C ATOM 601 CE1 PHE A 44 16.435 7.056 5.379 1.00 0.00 C ATOM 602 CE2 PHE A 44 16.671 6.129 7.570 1.00 0.00 C ATOM 603 CZ PHE A 44 17.199 6.398 6.322 1.00 0.00 C ATOM 0 H PHE A 44 10.674 7.602 7.845 1.00 0.00 H new ATOM 0 HA PHE A 44 12.272 6.688 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.048 8.626 6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.070 7.594 8.344 1.00 0.00 H new ATOM 0 HD1 PHE A 44 14.550 7.955 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.970 6.302 8.846 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.846 7.269 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 44 17.267 5.616 8.310 1.00 0.00 H new ATOM 0 HZ PHE A 44 18.208 6.094 6.084 1.00 0.00 H new ATOM 613 N GLY A 45 11.646 4.336 6.455 1.00 0.00 N ATOM 614 CA GLY A 45 11.704 2.947 6.869 1.00 0.00 C ATOM 615 C GLY A 45 10.759 2.065 6.078 1.00 0.00 C ATOM 616 O GLY A 45 11.063 0.903 5.807 1.00 0.00 O ATOM 0 H GLY A 45 11.110 4.507 5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.723 2.579 6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.460 2.877 7.929 1.00 0.00 H new ATOM 620 N VAL A 46 9.608 2.617 5.708 1.00 0.00 N ATOM 621 CA VAL A 46 8.614 1.873 4.943 1.00 0.00 C ATOM 622 C VAL A 46 9.234 1.246 3.699 1.00 0.00 C ATOM 623 O VAL A 46 10.162 1.800 3.108 1.00 0.00 O ATOM 624 CB VAL A 46 7.440 2.775 4.520 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.616 3.184 5.731 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.952 4.000 3.775 1.00 0.00 C ATOM 0 H VAL A 46 9.341 3.577 5.926 1.00 0.00 H new ATOM 0 HA VAL A 46 8.239 1.084 5.595 1.00 0.00 H new ATOM 0 HB VAL A 46 6.795 2.210 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.791 3.821 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.219 2.294 6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.246 3.731 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.109 4.627 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.619 4.568 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.495 3.684 2.884 1.00 0.00 H new ATOM 636 N THR A 47 8.714 0.088 3.305 1.00 0.00 N ATOM 637 CA THR A 47 9.217 -0.615 2.131 1.00 0.00 C ATOM 638 C THR A 47 9.067 0.236 0.875 1.00 0.00 C ATOM 639 O THR A 47 9.807 0.065 -0.094 1.00 0.00 O ATOM 640 CB THR A 47 8.484 -1.953 1.921 1.00 0.00 C ATOM 641 OG1 THR A 47 8.658 -2.792 3.068 1.00 0.00 O ATOM 642 CG2 THR A 47 9.003 -2.666 0.682 1.00 0.00 C ATOM 0 H THR A 47 7.945 -0.383 3.781 1.00 0.00 H new ATOM 0 HA THR A 47 10.274 -0.812 2.309 1.00 0.00 H new ATOM 0 HB THR A 47 7.423 -1.743 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.188 -3.640 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.470 -3.608 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.843 -2.037 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.069 -2.864 0.796 1.00 0.00 H new ATOM 650 N TYR A 48 8.106 1.153 0.898 1.00 0.00 N ATOM 651 CA TYR A 48 7.858 2.029 -0.240 1.00 0.00 C ATOM 652 C TYR A 48 7.500 3.438 0.225 1.00 0.00 C ATOM 653 O TYR A 48 6.556 3.628 0.990 1.00 0.00 O ATOM 654 CB TYR A 48 6.733 1.466 -1.109 1.00 0.00 C ATOM 655 CG TYR A 48 7.084 0.157 -1.781 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.214 0.046 -2.582 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.286 -0.968 -1.614 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.538 -1.147 -3.197 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.603 -2.166 -2.225 1.00 0.00 C ATOM 660 CZ TYR A 48 7.729 -2.250 -3.016 1.00 0.00 C ATOM 661 OH TYR A 48 8.050 -3.441 -3.627 1.00 0.00 O ATOM 0 H TYR A 48 7.486 1.309 1.693 1.00 0.00 H new ATOM 0 HA TYR A 48 8.772 2.082 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.846 1.322 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.474 2.199 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.849 0.907 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.403 -0.905 -0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.420 -1.216 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.972 -3.031 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 48 7.363 -4.109 -3.423 1.00 0.00 H new ATOM 671 N GLN A 49 8.262 4.420 -0.245 1.00 0.00 N ATOM 672 CA GLN A 49 8.026 5.812 0.122 1.00 0.00 C ATOM 673 C GLN A 49 7.338 6.564 -1.012 1.00 0.00 C ATOM 674 O GLN A 49 7.555 6.270 -2.188 1.00 0.00 O ATOM 675 CB GLN A 49 9.346 6.498 0.479 1.00 0.00 C ATOM 676 CG GLN A 49 9.199 7.981 0.777 1.00 0.00 C ATOM 677 CD GLN A 49 10.503 8.622 1.210 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.464 8.680 0.442 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.543 9.107 2.445 1.00 0.00 N ATOM 0 H GLN A 49 9.047 4.278 -0.880 1.00 0.00 H new ATOM 0 HA GLN A 49 7.371 5.826 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.780 6.003 1.347 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.047 6.369 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.825 8.491 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.454 8.118 1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.723 9.037 3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.394 9.550 2.792 1.00 0.00 H new ATOM 688 N LEU A 50 6.508 7.537 -0.651 1.00 0.00 N ATOM 689 CA LEU A 50 5.788 8.333 -1.639 1.00 0.00 C ATOM 690 C LEU A 50 5.683 9.789 -1.194 1.00 0.00 C ATOM 691 O LEU A 50 5.050 10.096 -0.184 1.00 0.00 O ATOM 692 CB LEU A 50 4.389 7.756 -1.866 1.00 0.00 C ATOM 693 CG LEU A 50 4.327 6.272 -2.229 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.887 5.783 -2.229 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.976 6.026 -3.583 1.00 0.00 C ATOM 0 H LEU A 50 6.317 7.793 0.318 1.00 0.00 H new ATOM 0 HA LEU A 50 6.346 8.297 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.802 7.913 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.908 8.325 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 50 4.880 5.710 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.862 4.725 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.455 5.923 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.310 6.350 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.922 4.964 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.451 6.599 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.020 6.338 -3.548 1.00 0.00 H new ATOM 707 N VAL A 51 6.307 10.681 -1.957 1.00 0.00 N ATOM 708 CA VAL A 51 6.282 12.105 -1.643 1.00 0.00 C ATOM 709 C VAL A 51 5.794 12.921 -2.835 1.00 0.00 C ATOM 710 O VAL A 51 6.112 12.613 -3.983 1.00 0.00 O ATOM 711 CB VAL A 51 7.674 12.612 -1.223 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.593 14.048 -0.729 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.272 11.706 -0.158 1.00 0.00 C ATOM 0 H VAL A 51 6.836 10.443 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 51 5.591 12.234 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 51 8.328 12.590 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.586 14.389 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.210 14.686 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.924 14.100 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.256 12.079 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.621 11.694 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.368 10.695 -0.553 1.00 0.00 H new ATOM 723 N SER A 52 5.019 13.964 -2.553 1.00 0.00 N ATOM 724 CA SER A 52 4.484 14.824 -3.603 1.00 0.00 C ATOM 725 C SER A 52 4.807 16.288 -3.323 1.00 0.00 C ATOM 726 O SER A 52 4.470 16.820 -2.265 1.00 0.00 O ATOM 727 CB SER A 52 2.970 14.638 -3.721 1.00 0.00 C ATOM 728 OG SER A 52 2.652 13.624 -4.659 1.00 0.00 O ATOM 0 H SER A 52 4.748 14.234 -1.607 1.00 0.00 H new ATOM 0 HA SER A 52 4.953 14.540 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.555 14.379 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.508 15.577 -4.025 1.00 0.00 H new ATOM 0 HG SER A 52 1.764 13.795 -5.037 1.00 0.00 H new ATOM 734 N LYS A 53 5.465 16.935 -4.279 1.00 0.00 N ATOM 735 CA LYS A 53 5.835 18.339 -4.139 1.00 0.00 C ATOM 736 C LYS A 53 4.594 19.220 -4.032 1.00 0.00 C ATOM 737 O LYS A 53 4.642 20.307 -3.455 1.00 0.00 O ATOM 738 CB LYS A 53 6.689 18.784 -5.328 1.00 0.00 C ATOM 739 CG LYS A 53 8.181 18.605 -5.105 1.00 0.00 C ATOM 740 CD LYS A 53 8.659 17.248 -5.594 1.00 0.00 C ATOM 741 CE LYS A 53 9.834 16.742 -4.772 1.00 0.00 C ATOM 742 NZ LYS A 53 11.140 17.145 -5.364 1.00 0.00 N ATOM 0 H LYS A 53 5.753 16.509 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 53 6.416 18.447 -3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.391 18.218 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.485 19.834 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.725 19.393 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.406 18.710 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.840 16.531 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.951 17.320 -6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.761 17.130 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.787 15.655 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.916 16.781 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.222 16.753 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.196 18.183 -5.408 1.00 0.00 H new ATOM 756 N ILE A 54 3.487 18.745 -4.591 1.00 0.00 N ATOM 757 CA ILE A 54 2.234 19.489 -4.556 1.00 0.00 C ATOM 758 C ILE A 54 1.492 19.255 -3.245 1.00 0.00 C ATOM 759 O ILE A 54 1.300 20.181 -2.455 1.00 0.00 O ATOM 760 CB ILE A 54 1.315 19.100 -5.729 1.00 0.00 C ATOM 761 CG1 ILE A 54 2.041 19.295 -7.061 1.00 0.00 C ATOM 762 CG2 ILE A 54 0.034 19.920 -5.693 1.00 0.00 C ATOM 763 CD1 ILE A 54 2.824 18.079 -7.506 1.00 0.00 C ATOM 0 H ILE A 54 3.432 17.848 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 54 2.492 20.545 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 54 1.052 18.047 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.311 19.548 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.720 20.143 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.605 19.634 -6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.490 19.735 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.278 20.980 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.313 18.289 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.578 17.837 -6.757 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.146 17.234 -7.625 1.00 0.00 H new ATOM 775 N CYS A 55 1.079 18.013 -3.018 1.00 0.00 N ATOM 776 CA CYS A 55 0.359 17.657 -1.801 1.00 0.00 C ATOM 777 C CYS A 55 1.082 16.546 -1.046 1.00 0.00 C ATOM 778 O CYS A 55 0.653 15.392 -1.029 1.00 0.00 O ATOM 779 CB CYS A 55 -1.067 17.217 -2.137 1.00 0.00 C ATOM 780 SG CYS A 55 -1.169 16.003 -3.472 1.00 0.00 S ATOM 0 H CYS A 55 1.231 17.236 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 55 0.318 18.539 -1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.527 16.797 -1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.651 18.095 -2.413 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.147 15.180 -3.236 1.00 0.00 H new ATOM 786 N PRO A 56 2.208 16.900 -0.408 1.00 0.00 N ATOM 787 CA PRO A 56 3.015 15.947 0.359 1.00 0.00 C ATOM 788 C PRO A 56 2.318 15.492 1.636 1.00 0.00 C ATOM 789 O PRO A 56 2.689 14.480 2.232 1.00 0.00 O ATOM 790 CB PRO A 56 4.279 16.743 0.695 1.00 0.00 C ATOM 791 CG PRO A 56 3.847 18.168 0.668 1.00 0.00 C ATOM 792 CD PRO A 56 2.778 18.257 -0.385 1.00 0.00 C ATOM 0 HA PRO A 56 3.206 15.032 -0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.672 16.467 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.070 16.555 -0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.464 18.478 1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.684 18.825 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.026 19.004 -0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.191 18.536 -1.354 1.00 0.00 H new ATOM 800 N LEU A 57 1.305 16.245 2.052 1.00 0.00 N ATOM 801 CA LEU A 57 0.554 15.918 3.259 1.00 0.00 C ATOM 802 C LEU A 57 -0.517 14.872 2.968 1.00 0.00 C ATOM 803 O LEU A 57 -0.971 14.167 3.868 1.00 0.00 O ATOM 804 CB LEU A 57 -0.091 17.178 3.839 1.00 0.00 C ATOM 805 CG LEU A 57 0.872 18.259 4.333 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.109 19.515 4.723 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.694 17.745 5.506 1.00 0.00 C ATOM 0 H LEU A 57 0.985 17.086 1.571 1.00 0.00 H new ATOM 0 HA LEU A 57 1.250 15.504 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.736 17.615 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.733 16.884 4.670 1.00 0.00 H new ATOM 0 HG LEU A 57 1.554 18.511 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.810 20.273 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.434 19.894 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.597 19.279 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.374 18.527 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.028 17.465 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.270 16.874 5.193 1.00 0.00 H new ATOM 819 N MET A 58 -0.915 14.777 1.704 1.00 0.00 N ATOM 820 CA MET A 58 -1.931 13.814 1.293 1.00 0.00 C ATOM 821 C MET A 58 -1.578 12.411 1.777 1.00 0.00 C ATOM 822 O MET A 58 -2.456 11.638 2.160 1.00 0.00 O ATOM 823 CB MET A 58 -2.082 13.818 -0.229 1.00 0.00 C ATOM 824 CG MET A 58 -3.412 13.259 -0.709 1.00 0.00 C ATOM 825 SD MET A 58 -3.963 14.009 -2.253 1.00 0.00 S ATOM 826 CE MET A 58 -4.871 15.424 -1.637 1.00 0.00 C ATOM 0 H MET A 58 -0.550 15.354 0.947 1.00 0.00 H new ATOM 0 HA MET A 58 -2.878 14.108 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.973 14.839 -0.594 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.272 13.235 -0.668 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.321 12.181 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.168 13.421 0.059 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.847 15.468 -2.120 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.004 15.330 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.316 16.336 -1.856 1.00 0.00 H new ATOM 836 N ILE A 59 -0.289 12.091 1.758 1.00 0.00 N ATOM 837 CA ILE A 59 0.179 10.781 2.196 1.00 0.00 C ATOM 838 C ILE A 59 0.859 10.868 3.558 1.00 0.00 C ATOM 839 O ILE A 59 1.731 11.710 3.775 1.00 0.00 O ATOM 840 CB ILE A 59 1.161 10.166 1.182 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.505 10.057 -0.196 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.631 8.800 1.661 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.766 9.237 -0.196 1.00 0.00 C ATOM 0 H ILE A 59 0.450 12.720 1.444 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.700 10.141 2.272 1.00 0.00 H new ATOM 0 HB ILE A 59 2.030 10.819 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.282 11.059 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.215 9.612 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.325 8.378 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.133 8.905 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.772 8.137 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.177 9.202 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.546 8.224 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.493 9.693 0.476 1.00 0.00 H new ATOM 855 N SER A 60 0.457 9.991 4.471 1.00 0.00 N ATOM 856 CA SER A 60 1.026 9.969 5.814 1.00 0.00 C ATOM 857 C SER A 60 1.849 8.703 6.034 1.00 0.00 C ATOM 858 O SER A 60 1.678 7.708 5.330 1.00 0.00 O ATOM 859 CB SER A 60 -0.084 10.059 6.863 1.00 0.00 C ATOM 860 OG SER A 60 -0.242 11.389 7.326 1.00 0.00 O ATOM 0 H SER A 60 -0.261 9.286 4.306 1.00 0.00 H new ATOM 0 HA SER A 60 1.684 10.832 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.022 9.706 6.435 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.150 9.404 7.702 1.00 0.00 H new ATOM 0 HG SER A 60 -0.958 11.420 7.994 1.00 0.00 H new ATOM 866 N ARG A 61 2.742 8.749 7.017 1.00 0.00 N ATOM 867 CA ARG A 61 3.593 7.608 7.331 1.00 0.00 C ATOM 868 C ARG A 61 2.758 6.346 7.530 1.00 0.00 C ATOM 869 O ARG A 61 1.773 6.351 8.267 1.00 0.00 O ATOM 870 CB ARG A 61 4.418 7.890 8.588 1.00 0.00 C ATOM 871 CG ARG A 61 5.783 7.221 8.583 1.00 0.00 C ATOM 872 CD ARG A 61 6.796 8.018 9.390 1.00 0.00 C ATOM 873 NE ARG A 61 6.662 7.780 10.825 1.00 0.00 N ATOM 874 CZ ARG A 61 7.584 8.127 11.716 1.00 0.00 C ATOM 875 NH1 ARG A 61 8.699 8.726 11.323 1.00 0.00 N ATOM 876 NH2 ARG A 61 7.389 7.877 13.005 1.00 0.00 N ATOM 0 H ARG A 61 2.895 9.565 7.610 1.00 0.00 H new ATOM 0 HA ARG A 61 4.268 7.448 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.551 8.967 8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.860 7.552 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.698 6.215 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.135 7.117 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.804 7.752 9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.667 9.081 9.185 1.00 0.00 H new ATOM 0 HE ARG A 61 5.815 7.323 11.161 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.851 8.922 10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.405 8.991 12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.531 7.418 13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.097 8.144 13.689 1.00 0.00 H new ATOM 890 N ASN A 62 3.159 5.267 6.866 1.00 0.00 N ATOM 891 CA ASN A 62 2.447 3.998 6.969 1.00 0.00 C ATOM 892 C ASN A 62 0.973 4.171 6.620 1.00 0.00 C ATOM 893 O ASN A 62 0.093 3.687 7.333 1.00 0.00 O ATOM 894 CB ASN A 62 2.585 3.425 8.381 1.00 0.00 C ATOM 895 CG ASN A 62 3.955 3.682 8.979 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.113 4.532 9.855 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.953 2.945 8.505 1.00 0.00 N ATOM 0 H ASN A 62 3.973 5.246 6.251 1.00 0.00 H new ATOM 0 HA ASN A 62 2.891 3.302 6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.823 3.864 9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.399 2.351 8.354 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.898 3.072 8.868 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.775 2.252 7.778 1.00 0.00 H new ATOM 904 N HIS A 63 0.709 4.865 5.517 1.00 0.00 N ATOM 905 CA HIS A 63 -0.660 5.102 5.072 1.00 0.00 C ATOM 906 C HIS A 63 -1.436 3.792 4.983 1.00 0.00 C ATOM 907 O HIS A 63 -2.653 3.766 5.176 1.00 0.00 O ATOM 908 CB HIS A 63 -0.662 5.803 3.713 1.00 0.00 C ATOM 909 CG HIS A 63 -1.937 6.533 3.417 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.044 7.907 3.458 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.162 6.071 3.074 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.280 8.258 3.154 1.00 0.00 C ATOM 913 NE2 HIS A 63 -3.979 7.163 2.916 1.00 0.00 N ATOM 0 H HIS A 63 1.425 5.273 4.915 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.149 5.744 5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.168 6.509 3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.487 5.063 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.444 5.036 2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.656 9.269 3.108 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.965 7.133 2.657 1.00 0.00 H new ATOM 921 N CYS A 64 -0.727 2.708 4.689 1.00 0.00 N ATOM 922 CA CYS A 64 -1.350 1.395 4.572 1.00 0.00 C ATOM 923 C CYS A 64 -0.331 0.286 4.814 1.00 0.00 C ATOM 924 O CYS A 64 0.872 0.538 4.877 1.00 0.00 O ATOM 925 CB CYS A 64 -1.985 1.229 3.191 1.00 0.00 C ATOM 926 SG CYS A 64 -0.790 1.056 1.845 1.00 0.00 S ATOM 0 H CYS A 64 0.280 2.713 4.527 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.128 1.321 5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.632 0.352 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.621 2.091 2.989 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.410 0.709 0.756 1.00 0.00 H new ATOM 932 N VAL A 65 -0.821 -0.942 4.949 1.00 0.00 N ATOM 933 CA VAL A 65 0.046 -2.090 5.184 1.00 0.00 C ATOM 934 C VAL A 65 -0.551 -3.361 4.592 1.00 0.00 C ATOM 935 O VAL A 65 -1.598 -3.835 5.038 1.00 0.00 O ATOM 936 CB VAL A 65 0.296 -2.306 6.688 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.181 -3.522 6.914 1.00 0.00 C ATOM 938 CG2 VAL A 65 0.916 -1.063 7.309 1.00 0.00 C ATOM 0 H VAL A 65 -1.815 -1.167 4.900 1.00 0.00 H new ATOM 0 HA VAL A 65 0.995 -1.875 4.692 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.662 -2.489 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.346 -3.658 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.693 -4.408 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.139 -3.373 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.086 -1.233 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.866 -0.847 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.241 -0.217 7.180 1.00 0.00 H new ATOM 948 N LEU A 66 0.119 -3.910 3.585 1.00 0.00 N ATOM 949 CA LEU A 66 -0.345 -5.129 2.931 1.00 0.00 C ATOM 950 C LEU A 66 0.323 -6.360 3.535 1.00 0.00 C ATOM 951 O LEU A 66 1.485 -6.314 3.938 1.00 0.00 O ATOM 952 CB LEU A 66 -0.060 -5.065 1.429 1.00 0.00 C ATOM 953 CG LEU A 66 -0.993 -4.176 0.606 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.303 -2.871 0.242 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.455 -4.905 -0.648 1.00 0.00 C ATOM 0 H LEU A 66 0.985 -3.531 3.203 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.421 -5.209 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.962 -4.713 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.107 -6.077 1.027 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.869 -3.943 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.982 -2.251 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.022 -2.341 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.591 -3.083 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.118 -4.258 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.589 -5.168 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.989 -5.812 -0.366 1.00 0.00 H new ATOM 967 N LYS A 67 -0.419 -7.461 3.592 1.00 0.00 N ATOM 968 CA LYS A 67 0.101 -8.706 4.143 1.00 0.00 C ATOM 969 C LYS A 67 -0.883 -9.851 3.924 1.00 0.00 C ATOM 970 O LYS A 67 -2.092 -9.635 3.845 1.00 0.00 O ATOM 971 CB LYS A 67 0.388 -8.546 5.638 1.00 0.00 C ATOM 972 CG LYS A 67 -0.835 -8.170 6.456 1.00 0.00 C ATOM 973 CD LYS A 67 -0.551 -6.997 7.378 1.00 0.00 C ATOM 974 CE LYS A 67 -0.116 -7.465 8.758 1.00 0.00 C ATOM 975 NZ LYS A 67 -1.097 -7.079 9.810 1.00 0.00 N ATOM 0 H LYS A 67 -1.383 -7.516 3.263 1.00 0.00 H new ATOM 0 HA LYS A 67 1.030 -8.943 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.799 -9.480 6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.154 -7.782 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.657 -7.917 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.157 -9.028 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.228 -6.371 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.444 -6.379 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.003 -8.548 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.858 -7.038 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.764 -7.416 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.192 -6.044 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.021 -7.507 9.597 1.00 0.00 H new ATOM 989 N GLN A 68 -0.357 -11.068 3.829 1.00 0.00 N ATOM 990 CA GLN A 68 -1.190 -12.246 3.619 1.00 0.00 C ATOM 991 C GLN A 68 -1.631 -12.844 4.951 1.00 0.00 C ATOM 992 O GLN A 68 -0.803 -13.261 5.760 1.00 0.00 O ATOM 993 CB GLN A 68 -0.433 -13.293 2.802 1.00 0.00 C ATOM 994 CG GLN A 68 -0.103 -12.840 1.388 1.00 0.00 C ATOM 995 CD GLN A 68 0.553 -13.930 0.564 1.00 0.00 C ATOM 996 OE1 GLN A 68 1.643 -14.401 0.891 1.00 0.00 O ATOM 997 NE2 GLN A 68 -0.109 -14.338 -0.512 1.00 0.00 N ATOM 0 H GLN A 68 0.642 -11.264 3.894 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.078 -11.939 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.493 -13.545 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.029 -14.204 2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.018 -12.516 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.559 -11.975 1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.010 -13.920 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.283 -15.070 -1.105 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.941 -12.883 5.172 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.492 -13.430 6.407 1.00 0.00 C ATOM 1008 C ASN A 69 -2.933 -14.823 6.682 1.00 0.00 C ATOM 1009 O ASN A 69 -2.416 -15.498 5.792 1.00 0.00 O ATOM 1010 CB ASN A 69 -5.019 -13.487 6.328 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.507 -14.117 5.038 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.977 -15.135 4.592 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.523 -13.514 4.432 1.00 0.00 N ATOM 0 H ASN A 69 -3.641 -12.543 4.512 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.202 -12.773 7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.403 -14.055 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.423 -12.478 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.895 -13.893 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.932 -12.672 4.838 1.00 0.00 H new ATOM 1020 N PRO A 70 -3.040 -15.265 7.944 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.553 -16.581 8.365 1.00 0.00 C ATOM 1022 C PRO A 70 -3.045 -17.701 7.454 1.00 0.00 C ATOM 1023 O PRO A 70 -2.406 -18.746 7.340 1.00 0.00 O ATOM 1024 CB PRO A 70 -3.135 -16.741 9.772 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.317 -15.348 10.267 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.645 -14.513 9.056 1.00 0.00 C ATOM 0 HA PRO A 70 -1.465 -16.643 8.329 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.082 -17.280 9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.462 -17.306 10.417 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.119 -15.298 11.004 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.412 -14.987 10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.721 -14.401 8.926 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.227 -13.509 9.136 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.184 -17.473 6.808 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.761 -18.464 5.907 1.00 0.00 C ATOM 1036 C GLU A 71 -3.886 -18.652 4.671 1.00 0.00 C ATOM 1037 O GLU A 71 -3.744 -19.761 4.160 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.172 -18.044 5.487 1.00 0.00 C ATOM 1039 CG GLU A 71 -7.033 -17.565 6.644 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.517 -17.674 6.349 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.958 -18.757 5.913 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.237 -16.674 6.557 1.00 0.00 O ATOM 0 H GLU A 71 -4.725 -16.612 6.891 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.815 -19.413 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.100 -17.249 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.664 -18.888 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.799 -18.150 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.786 -16.528 6.871 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.300 -17.556 4.196 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.447 -17.620 3.024 1.00 0.00 C ATOM 1051 C GLY A 72 -2.972 -16.779 1.878 1.00 0.00 C ATOM 1052 O GLY A 72 -2.631 -17.017 0.720 1.00 0.00 O ATOM 0 H GLY A 72 -3.401 -16.626 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.445 -17.282 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.359 -18.657 2.699 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.804 -15.794 2.201 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.378 -14.917 1.189 1.00 0.00 C ATOM 1058 C GLN A 73 -4.048 -13.457 1.482 1.00 0.00 C ATOM 1059 O GLN A 73 -4.091 -13.020 2.632 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.895 -15.105 1.121 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.598 -14.074 0.253 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.178 -14.151 -1.201 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.573 -15.133 -1.633 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.497 -13.114 -1.966 1.00 0.00 N ATOM 0 H GLN A 73 -4.095 -15.584 3.156 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.942 -15.183 0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.112 -16.101 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.304 -15.058 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.676 -14.219 0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.385 -13.076 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.999 -12.321 -1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.240 -13.110 -2.953 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.718 -12.709 0.436 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.379 -11.298 0.582 1.00 0.00 C ATOM 1075 C TRP A 74 -4.545 -10.517 1.178 1.00 0.00 C ATOM 1076 O TRP A 74 -5.707 -10.787 0.873 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.990 -10.703 -0.773 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.544 -10.897 -1.114 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -1.033 -11.711 -2.085 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.423 -10.268 -0.484 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.338 -11.625 -2.097 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.737 -10.746 -1.125 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.285 -9.346 0.556 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.015 -10.333 -0.757 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 0.983 -8.937 0.921 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.120 -9.429 0.266 1.00 0.00 C ATOM 0 H TRP A 74 -3.678 -13.056 -0.522 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.530 -11.222 1.262 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.603 -11.158 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.216 -9.637 -0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.621 -12.331 -2.746 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.958 -12.133 -2.727 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.155 -8.959 1.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.892 -10.712 -1.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.100 -8.226 1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.098 -9.089 0.574 1.00 0.00 H new ATOM 1097 N THR A 75 -4.229 -9.548 2.031 1.00 0.00 N ATOM 1098 CA THR A 75 -5.250 -8.729 2.670 1.00 0.00 C ATOM 1099 C THR A 75 -4.733 -7.322 2.949 1.00 0.00 C ATOM 1100 O THR A 75 -3.702 -7.147 3.599 1.00 0.00 O ATOM 1101 CB THR A 75 -5.729 -9.358 3.992 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.632 -9.995 4.657 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.834 -10.373 3.740 1.00 0.00 C ATOM 0 H THR A 75 -3.273 -9.311 2.295 1.00 0.00 H new ATOM 0 HA THR A 75 -6.089 -8.674 1.977 1.00 0.00 H new ATOM 0 HB THR A 75 -6.125 -8.563 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.795 -9.549 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.156 -10.804 4.688 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.679 -9.879 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.460 -11.164 3.091 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.454 -6.322 2.454 1.00 0.00 N ATOM 1112 CA ILE A 76 -5.068 -4.931 2.651 1.00 0.00 C ATOM 1113 C ILE A 76 -5.589 -4.399 3.982 1.00 0.00 C ATOM 1114 O ILE A 76 -6.768 -4.547 4.302 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.590 -4.034 1.513 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -5.186 -2.579 1.755 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -7.102 -4.157 1.394 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -5.283 -1.711 0.519 1.00 0.00 C ATOM 0 H ILE A 76 -6.309 -6.450 1.913 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.978 -4.904 2.653 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.143 -4.364 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.821 -2.159 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.162 -2.552 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.457 -3.517 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.367 -5.192 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.567 -3.849 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.982 -0.693 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.626 -2.107 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.311 -1.708 0.157 1.00 0.00 H new ATOM 1130 N MET A 77 -4.702 -3.779 4.753 1.00 0.00 N ATOM 1131 CA MET A 77 -5.074 -3.222 6.049 1.00 0.00 C ATOM 1132 C MET A 77 -4.502 -1.819 6.222 1.00 0.00 C ATOM 1133 O MET A 77 -3.301 -1.604 6.059 1.00 0.00 O ATOM 1134 CB MET A 77 -4.581 -4.129 7.178 1.00 0.00 C ATOM 1135 CG MET A 77 -5.034 -3.681 8.559 1.00 0.00 C ATOM 1136 SD MET A 77 -3.740 -3.853 9.803 1.00 0.00 S ATOM 1137 CE MET A 77 -2.717 -2.432 9.425 1.00 0.00 C ATOM 0 H MET A 77 -3.721 -3.649 4.504 1.00 0.00 H new ATOM 0 HA MET A 77 -6.161 -3.160 6.091 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.937 -5.144 6.999 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.492 -4.164 7.155 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.352 -2.640 8.513 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.903 -4.267 8.860 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.717 -2.767 9.147 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.157 -1.877 8.596 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.653 -1.786 10.301 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.369 -0.868 6.552 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.949 0.515 6.748 1.00 0.00 C ATOM 1149 C ASP A 78 -4.446 0.734 8.172 1.00 0.00 C ATOM 1150 O ASP A 78 -5.142 0.431 9.140 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.107 1.469 6.451 1.00 0.00 C ATOM 1152 CG ASP A 78 -5.818 2.888 6.897 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.631 3.278 6.902 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -6.777 3.609 7.243 1.00 0.00 O ATOM 0 H ASP A 78 -6.367 -1.029 6.689 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.132 0.722 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.313 1.463 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.007 1.110 6.951 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.232 1.261 8.290 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.635 1.519 9.596 1.00 0.00 C ATOM 1161 C ASN A 79 -3.139 2.838 10.173 1.00 0.00 C ATOM 1162 O ASN A 79 -2.354 3.743 10.460 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.109 1.547 9.485 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.428 1.133 10.775 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.017 1.210 11.854 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.819 0.690 10.670 1.00 0.00 N ATOM 0 H ASN A 79 -2.642 1.518 7.498 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.929 0.713 10.269 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.794 0.882 8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.786 2.552 9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.328 0.397 11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.268 0.643 9.755 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.452 2.940 10.342 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.063 4.147 10.887 1.00 0.00 C ATOM 1175 C LYS A 80 -4.598 5.384 10.125 1.00 0.00 C ATOM 1176 O LYS A 80 -3.790 6.166 10.626 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.719 4.291 12.372 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.630 3.491 13.287 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.642 4.058 14.696 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.516 3.480 15.540 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.971 2.315 16.348 1.00 0.00 N ATOM 0 H LYS A 80 -5.115 2.201 10.109 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.144 4.059 10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.689 3.973 12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.774 5.344 12.649 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.643 3.492 12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.299 2.453 13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.546 5.143 14.653 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.600 3.841 15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.696 3.174 14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.126 4.252 16.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.962 2.568 17.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.937 2.052 16.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.332 1.510 16.187 1.00 0.00 H new ATOM 1195 N SER A 81 -5.114 5.555 8.912 1.00 0.00 N ATOM 1196 CA SER A 81 -4.750 6.695 8.080 1.00 0.00 C ATOM 1197 C SER A 81 -5.614 7.908 8.411 1.00 0.00 C ATOM 1198 O SER A 81 -6.607 7.799 9.132 1.00 0.00 O ATOM 1199 CB SER A 81 -4.895 6.340 6.599 1.00 0.00 C ATOM 1200 OG SER A 81 -6.232 5.988 6.288 1.00 0.00 O ATOM 0 H SER A 81 -5.786 4.918 8.484 1.00 0.00 H new ATOM 0 HA SER A 81 -3.709 6.945 8.286 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.587 7.187 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.231 5.511 6.354 1.00 0.00 H new ATOM 0 HG SER A 81 -6.511 5.234 6.849 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.230 9.063 7.881 1.00 0.00 N ATOM 1207 CA LEU A 82 -5.969 10.298 8.119 1.00 0.00 C ATOM 1208 C LEU A 82 -6.938 10.583 6.976 1.00 0.00 C ATOM 1209 O LEU A 82 -8.099 10.919 7.203 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.001 11.471 8.286 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.637 12.859 8.376 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.363 13.028 9.701 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -4.581 13.941 8.202 1.00 0.00 C ATOM 0 H LEU A 82 -4.411 9.171 7.283 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.545 10.176 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.412 11.304 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.307 11.465 7.446 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.366 12.957 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.809 14.021 9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.146 12.274 9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.655 12.910 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.051 14.922 8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.829 13.845 8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.106 13.832 7.227 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.452 10.443 5.747 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.276 10.683 4.567 1.00 0.00 C ATOM 1227 C ASN A 83 -8.218 9.510 4.314 1.00 0.00 C ATOM 1228 O ASN A 83 -9.385 9.700 3.974 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.391 10.915 3.341 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.605 12.208 3.431 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -6.028 13.243 2.914 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -4.453 12.155 4.091 1.00 0.00 N ATOM 0 H ASN A 83 -5.492 10.165 5.542 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.876 11.575 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.699 10.080 3.232 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.013 10.933 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.880 12.994 4.185 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.142 11.276 4.503 1.00 0.00 H new ATOM 1239 N GLY A 84 -7.702 8.296 4.484 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.511 7.110 4.270 1.00 0.00 C ATOM 1241 C GLY A 84 -8.095 6.340 3.032 1.00 0.00 C ATOM 1242 O GLY A 84 -7.474 6.895 2.126 1.00 0.00 O ATOM 0 H GLY A 84 -6.739 8.113 4.766 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.434 6.460 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.558 7.400 4.179 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.436 5.055 2.994 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.093 4.207 1.859 1.00 0.00 C ATOM 1248 C VAL A 85 -9.345 3.717 1.141 1.00 0.00 C ATOM 1249 O VAL A 85 -10.376 3.473 1.768 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.258 2.990 2.300 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -5.836 3.412 2.637 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -7.912 2.296 3.485 1.00 0.00 C ATOM 0 H VAL A 85 -8.949 4.579 3.736 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.501 4.816 1.176 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.215 2.282 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.261 2.539 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.371 3.860 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.855 4.140 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.308 1.439 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.988 2.994 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.909 1.957 3.203 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.248 3.574 -0.175 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.374 3.112 -0.979 1.00 0.00 C ATOM 1264 C TRP A 86 -10.049 1.787 -1.660 1.00 0.00 C ATOM 1265 O TRP A 86 -8.979 1.625 -2.247 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.742 4.162 -2.029 1.00 0.00 C ATOM 1267 CG TRP A 86 -10.956 5.529 -1.453 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.002 6.477 -1.216 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.203 6.099 -1.040 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.581 7.602 -0.680 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -11.930 7.396 -0.563 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.523 5.641 -1.028 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -12.929 8.237 -0.080 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.513 6.477 -0.548 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.213 7.763 -0.080 1.00 0.00 C ATOM 0 H TRP A 86 -8.401 3.771 -0.709 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.224 2.959 -0.315 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.950 4.211 -2.777 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.649 3.847 -2.545 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.948 6.360 -1.420 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.086 8.453 -0.413 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.765 4.652 -1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.699 9.228 0.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.537 6.133 -0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.010 8.392 0.288 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.979 0.841 -1.577 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.791 -0.471 -2.185 1.00 0.00 C ATOM 1288 C LEU A 87 -11.971 -0.828 -3.084 1.00 0.00 C ATOM 1289 O LEU A 87 -13.055 -1.152 -2.601 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.619 -1.538 -1.102 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.474 -2.978 -1.595 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.108 -3.190 -2.229 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.691 -3.957 -0.451 1.00 0.00 C ATOM 0 H LEU A 87 -11.870 0.959 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.889 -0.435 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.739 -1.288 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.478 -1.489 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.236 -3.161 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.023 -4.220 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.991 -2.513 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.330 -2.988 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.584 -4.977 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.952 -3.774 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.692 -3.822 -0.042 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.750 -0.770 -4.393 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.795 -1.088 -5.359 1.00 0.00 C ATOM 1307 C ASN A 88 -14.006 -0.180 -5.171 1.00 0.00 C ATOM 1308 O ASN A 88 -15.129 -0.654 -4.999 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.215 -2.553 -5.222 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.291 -3.493 -5.973 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.904 -3.223 -7.110 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -11.933 -4.603 -5.338 1.00 0.00 N ATOM 0 H ASN A 88 -10.857 -0.506 -4.809 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.393 -0.923 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.228 -2.827 -4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.232 -2.673 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.313 -5.273 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.278 -4.785 -4.396 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.769 1.127 -5.205 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.840 2.102 -5.037 1.00 0.00 C ATOM 1321 C ARG A 89 -15.583 1.873 -3.724 1.00 0.00 C ATOM 1322 O ARG A 89 -16.813 1.891 -3.684 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.819 2.022 -6.210 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.167 2.245 -7.565 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.172 3.716 -7.951 1.00 0.00 C ATOM 1326 NE ARG A 89 -16.126 3.997 -9.020 1.00 0.00 N ATOM 1327 CZ ARG A 89 -15.975 3.574 -10.270 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -14.914 2.853 -10.606 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -16.887 3.870 -11.187 1.00 0.00 N ATOM 0 H ARG A 89 -12.845 1.535 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.393 3.096 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.300 1.044 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.604 2.764 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.141 1.878 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -15.695 1.667 -8.323 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.418 4.319 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.172 4.011 -8.270 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.954 4.548 -8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.211 2.622 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.801 2.529 -11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.705 4.423 -10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.770 3.545 -12.147 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.827 1.658 -2.653 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.413 1.427 -1.338 1.00 0.00 C ATOM 1345 C ALA A 90 -14.429 1.779 -0.228 1.00 0.00 C ATOM 1346 O ALA A 90 -13.337 1.215 -0.151 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.863 -0.021 -1.208 1.00 0.00 C ATOM 0 H ALA A 90 -13.807 1.639 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.282 2.077 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.299 -0.179 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.608 -0.241 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.005 -0.681 -1.336 1.00 0.00 H new ATOM 1353 N ARG A 91 -14.821 2.716 0.629 1.00 0.00 N ATOM 1354 CA ARG A 91 -13.972 3.145 1.733 1.00 0.00 C ATOM 1355 C ARG A 91 -13.760 2.009 2.729 1.00 0.00 C ATOM 1356 O ARG A 91 -14.658 1.199 2.964 1.00 0.00 O ATOM 1357 CB ARG A 91 -14.591 4.350 2.443 1.00 0.00 C ATOM 1358 CG ARG A 91 -13.585 5.182 3.221 1.00 0.00 C ATOM 1359 CD ARG A 91 -13.950 6.658 3.204 1.00 0.00 C ATOM 1360 NE ARG A 91 -14.689 7.053 4.400 1.00 0.00 N ATOM 1361 CZ ARG A 91 -15.155 8.281 4.604 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -14.960 9.227 3.696 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -15.819 8.563 5.718 1.00 0.00 N ATOM 0 H ARG A 91 -15.722 3.193 0.580 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.004 3.432 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.080 4.985 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.366 4.000 3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.539 4.829 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.592 5.047 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.042 7.255 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.550 6.873 2.320 1.00 0.00 H new ATOM 0 HE ARG A 91 -14.857 6.348 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.451 9.013 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.319 10.168 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.972 7.837 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.176 9.506 5.874 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.567 1.954 3.312 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.236 0.917 4.283 1.00 0.00 C ATOM 1379 C LEU A 92 -12.089 1.507 5.682 1.00 0.00 C ATOM 1380 O LEU A 92 -12.084 2.725 5.854 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.944 0.206 3.878 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.891 -0.327 2.446 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.451 -0.421 1.965 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.576 -1.683 2.355 1.00 0.00 C ATOM 0 H LEU A 92 -11.813 2.616 3.129 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.052 0.194 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.113 0.898 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.783 -0.628 4.561 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.424 0.370 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.433 -0.802 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.993 0.568 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.894 -1.096 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.528 -2.047 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.072 -2.390 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.619 -1.585 2.657 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.968 0.634 6.677 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.819 1.070 8.061 1.00 0.00 C ATOM 1398 C GLU A 93 -10.388 0.858 8.547 1.00 0.00 C ATOM 1399 O GLU A 93 -9.622 0.079 7.979 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.794 0.313 8.965 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.101 1.050 9.202 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.243 0.115 9.550 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.021 -0.821 10.347 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.358 0.319 9.026 1.00 0.00 O ATOM 0 H GLU A 93 -11.970 -0.378 6.551 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.046 2.135 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.010 -0.658 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.314 0.124 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.967 1.770 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.361 1.618 8.309 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.018 1.568 9.623 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.678 1.476 10.210 1.00 0.00 C ATOM 1413 C PRO A 94 -8.435 0.133 10.890 1.00 0.00 C ATOM 1414 O PRO A 94 -9.253 -0.328 11.687 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.663 2.608 11.240 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.095 2.814 11.597 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.880 2.515 10.350 1.00 0.00 C ATOM 0 HA PRO A 94 -7.896 1.558 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.071 2.339 12.115 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.224 3.515 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.392 2.155 12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.270 3.836 11.933 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.851 2.078 10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.067 3.417 9.767 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.305 -0.490 10.572 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.954 -1.781 11.153 1.00 0.00 C ATOM 1427 C LEU A 95 -8.003 -2.835 10.814 1.00 0.00 C ATOM 1428 O LEU A 95 -8.472 -3.562 11.690 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.811 -1.657 12.671 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.151 -0.375 13.181 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -5.995 -0.420 14.693 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.802 -0.166 12.509 1.00 0.00 C ATOM 0 H LEU A 95 -6.617 -0.122 9.915 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.000 -2.095 10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.803 -1.733 13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.233 -2.508 13.032 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.794 0.468 12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.524 0.500 15.038 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.976 -0.521 15.157 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.373 -1.272 14.969 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.347 0.751 12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.150 -1.011 12.730 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.941 -0.087 11.431 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.365 -2.913 9.538 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.358 -3.879 9.083 1.00 0.00 C ATOM 1446 C ARG A 96 -8.761 -4.822 8.042 1.00 0.00 C ATOM 1447 O ARG A 96 -7.787 -4.486 7.370 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.572 -3.156 8.496 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.869 -3.938 8.630 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.572 -3.628 9.942 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.553 -4.652 10.292 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.400 -4.541 11.309 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -14.386 -3.458 12.073 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -15.263 -5.516 11.564 1.00 0.00 N ATOM 0 H ARG A 96 -7.986 -2.319 8.801 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.676 -4.469 9.943 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.686 -2.192 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.388 -2.952 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.529 -3.697 7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.659 -5.006 8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.833 -3.546 10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.069 -2.661 9.868 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.590 -5.499 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.723 -2.707 11.881 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.038 -3.376 12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.276 -6.351 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.913 -5.430 12.345 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.354 -6.006 7.915 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.882 -6.998 6.957 1.00 0.00 C ATOM 1470 C VAL A 97 -9.791 -7.056 5.734 1.00 0.00 C ATOM 1471 O VAL A 97 -11.011 -7.157 5.859 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.803 -8.399 7.592 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.148 -9.383 6.635 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -8.050 -8.344 8.912 1.00 0.00 C ATOM 0 H VAL A 97 -10.162 -6.301 8.464 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.883 -6.691 6.649 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.817 -8.745 7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.101 -10.367 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.734 -9.443 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.139 -9.045 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.004 -9.343 9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.039 -7.977 8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.567 -7.673 9.598 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.188 -6.991 4.552 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.943 -7.035 3.306 1.00 0.00 C ATOM 1486 C TYR A 98 -9.199 -7.843 2.246 1.00 0.00 C ATOM 1487 O TYR A 98 -8.204 -7.385 1.685 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.203 -5.617 2.793 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.317 -4.903 3.524 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.645 -5.093 3.164 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -11.041 -4.040 4.577 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.665 -4.442 3.829 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -12.055 -3.385 5.249 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.366 -3.589 4.871 1.00 0.00 C ATOM 1495 OH TYR A 98 -14.380 -2.940 5.537 1.00 0.00 O ATOM 0 H TYR A 98 -8.179 -6.908 4.431 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.897 -7.523 3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.287 -5.033 2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.447 -5.663 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.884 -5.761 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.016 -3.878 4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.692 -4.600 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.823 -2.717 6.065 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.000 -2.378 6.244 1.00 0.00 H new ATOM 1505 N SER A 99 -9.691 -9.048 1.978 1.00 0.00 N ATOM 1506 CA SER A 99 -9.073 -9.923 0.988 1.00 0.00 C ATOM 1507 C SER A 99 -9.047 -9.258 -0.384 1.00 0.00 C ATOM 1508 O SER A 99 -10.084 -8.845 -0.906 1.00 0.00 O ATOM 1509 CB SER A 99 -9.827 -11.252 0.910 1.00 0.00 C ATOM 1510 OG SER A 99 -10.498 -11.531 2.126 1.00 0.00 O ATOM 0 H SER A 99 -10.515 -9.441 2.432 1.00 0.00 H new ATOM 0 HA SER A 99 -8.046 -10.114 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.548 -11.217 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.128 -12.057 0.684 1.00 0.00 H new ATOM 0 HG SER A 99 -10.973 -12.385 2.049 1.00 0.00 H new ATOM 1516 N ILE A 100 -7.856 -9.156 -0.964 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.694 -8.543 -2.276 1.00 0.00 C ATOM 1518 C ILE A 100 -7.334 -9.584 -3.329 1.00 0.00 C ATOM 1519 O ILE A 100 -6.587 -10.525 -3.058 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.608 -7.451 -2.257 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.233 -8.074 -2.009 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.923 -6.409 -1.194 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.106 -7.065 -1.995 1.00 0.00 C ATOM 0 H ILE A 100 -6.988 -9.490 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.651 -8.088 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.593 -6.957 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.249 -8.602 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.035 -8.817 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.146 -5.644 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.886 -5.948 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.962 -6.888 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.161 -7.577 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.063 -6.554 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.280 -6.336 -1.204 1.00 0.00 H new ATOM 1535 N HIS A 101 -7.869 -9.409 -4.534 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.602 -10.333 -5.630 1.00 0.00 C ATOM 1537 C HIS A 101 -7.348 -9.575 -6.930 1.00 0.00 C ATOM 1538 O HIS A 101 -7.298 -8.346 -6.941 1.00 0.00 O ATOM 1539 CB HIS A 101 -8.775 -11.298 -5.810 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.260 -11.897 -4.525 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -8.807 -13.106 -4.041 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.162 -11.445 -3.623 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.411 -13.373 -2.897 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.238 -12.381 -2.620 1.00 0.00 N ATOM 0 H HIS A 101 -8.489 -8.636 -4.775 1.00 0.00 H new ATOM 0 HA HIS A 101 -6.707 -10.903 -5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.599 -10.770 -6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.475 -12.100 -6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.718 -10.521 -3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.255 -14.253 -2.291 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -10.836 -12.320 -1.796 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.188 -10.318 -8.021 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.938 -9.714 -9.324 1.00 0.00 C ATOM 1554 C GLN A 102 -8.145 -8.908 -9.792 1.00 0.00 C ATOM 1555 O GLN A 102 -9.196 -9.467 -10.102 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.602 -10.795 -10.354 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.487 -10.267 -11.774 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.394 -10.958 -12.567 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.257 -10.289 -12.715 1.00 0.00 O flip ATOM 1560 NE2 GLN A 102 -5.571 -12.080 -13.042 1.00 0.00 N flip ATOM 0 H GLN A 102 -7.227 -11.337 -8.028 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.089 -9.038 -9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.662 -11.271 -10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.372 -11.566 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.441 -10.399 -12.285 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.287 -9.196 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.461 -12.558 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.827 -12.532 -13.574 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.986 -7.589 -9.840 1.00 0.00 N ATOM 1570 CA GLY A 103 -9.072 -6.726 -10.270 1.00 0.00 C ATOM 1571 C GLY A 103 -9.480 -5.732 -9.202 1.00 0.00 C ATOM 1572 O GLY A 103 -10.579 -5.179 -9.247 1.00 0.00 O ATOM 0 H GLY A 103 -7.125 -7.102 -9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.770 -6.187 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.933 -7.338 -10.541 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.595 -5.505 -8.238 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.869 -4.570 -7.152 1.00 0.00 C ATOM 1578 C ASP A 104 -8.226 -3.214 -7.427 1.00 0.00 C ATOM 1579 O ASP A 104 -7.421 -3.073 -8.348 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.357 -5.132 -5.825 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.185 -6.303 -5.334 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.624 -7.114 -6.177 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.393 -6.410 -4.108 1.00 0.00 O ATOM 0 H ASP A 104 -7.681 -5.955 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.948 -4.433 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.321 -5.448 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.366 -4.344 -5.072 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.587 -2.220 -6.623 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.048 -0.875 -6.781 1.00 0.00 C ATOM 1590 C TYR A 105 -7.794 -0.226 -5.424 1.00 0.00 C ATOM 1591 O TYR A 105 -8.731 0.104 -4.696 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.009 -0.011 -7.600 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.623 0.111 -9.056 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.704 -0.981 -9.911 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.179 1.320 -9.578 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.351 -0.874 -11.242 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -7.826 1.437 -10.909 1.00 0.00 C ATOM 1598 CZ TYR A 105 -7.913 0.337 -11.736 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.562 0.448 -13.062 1.00 0.00 O ATOM 0 H TYR A 105 -9.251 -2.321 -5.855 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.098 -0.952 -7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.011 -0.434 -7.533 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.053 0.985 -7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.049 -1.930 -9.528 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.109 2.183 -8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.418 -1.734 -11.892 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.484 2.384 -11.299 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.107 -0.371 -13.350 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.520 -0.047 -5.091 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.142 0.563 -3.822 1.00 0.00 C ATOM 1611 C ILE A 106 -5.818 2.043 -3.999 1.00 0.00 C ATOM 1612 O ILE A 106 -4.934 2.406 -4.775 1.00 0.00 O ATOM 1613 CB ILE A 106 -4.925 -0.146 -3.198 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.231 -1.628 -2.973 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.536 0.525 -1.889 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.849 -2.508 -4.143 1.00 0.00 C ATOM 0 H ILE A 106 -5.733 -0.315 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 106 -6.996 0.458 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.084 -0.069 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.701 -1.969 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.296 -1.745 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.675 0.013 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.282 1.568 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.372 0.475 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.094 -3.545 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.399 -2.193 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.779 -2.421 -4.329 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.539 2.891 -3.273 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.327 4.332 -3.349 1.00 0.00 C ATOM 1630 C GLN A 107 -5.895 4.891 -1.998 1.00 0.00 C ATOM 1631 O GLN A 107 -6.610 4.761 -1.003 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.604 5.032 -3.819 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.345 6.317 -4.589 1.00 0.00 C ATOM 1634 CD GLN A 107 -8.611 7.110 -4.843 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.246 6.970 -5.888 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -8.985 7.951 -3.885 1.00 0.00 N ATOM 0 H GLN A 107 -7.274 2.606 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.531 4.519 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.172 4.348 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.225 5.257 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -6.640 6.934 -4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.874 6.076 -5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.428 8.035 -3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -9.829 8.512 -4.000 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.722 5.512 -1.968 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.193 6.091 -0.738 1.00 0.00 C ATOM 1647 C LEU A 108 -4.596 7.557 -0.609 1.00 0.00 C ATOM 1648 O LEU A 108 -3.931 8.444 -1.142 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.669 5.965 -0.705 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.111 4.545 -0.800 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.591 4.567 -0.797 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.636 3.687 0.342 1.00 0.00 C ATOM 0 H LEU A 108 -4.118 5.628 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.615 5.541 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.258 6.551 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.307 6.415 0.219 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.446 4.107 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.212 3.547 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.234 5.145 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.236 5.025 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.228 2.680 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.333 4.123 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.724 3.643 0.294 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.690 7.804 0.106 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.162 9.163 0.294 1.00 0.00 C ATOM 1666 C GLY A 109 -7.319 9.508 -0.623 1.00 0.00 C ATOM 1667 O GLY A 109 -8.056 8.625 -1.063 1.00 0.00 O ATOM 0 H GLY A 109 -6.257 7.087 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.472 9.296 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.341 9.857 0.115 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.481 10.795 -0.910 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.557 11.255 -1.780 1.00 0.00 C ATOM 1673 C VAL A 110 -8.033 12.214 -2.843 1.00 0.00 C ATOM 1674 O VAL A 110 -6.995 12.855 -2.679 1.00 0.00 O ATOM 1675 CB VAL A 110 -9.669 11.955 -0.976 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.550 10.931 -0.279 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.067 12.925 0.030 1.00 0.00 C ATOM 0 H VAL A 110 -6.881 11.538 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.971 10.371 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.291 12.523 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.330 11.445 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.009 10.279 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.944 10.334 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.866 13.411 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.421 12.381 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.482 13.679 -0.497 1.00 0.00 H new ATOM 1687 N PRO A 111 -8.767 12.316 -3.961 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.396 13.196 -5.074 1.00 0.00 C ATOM 1689 C PRO A 111 -8.548 14.671 -4.721 1.00 0.00 C ATOM 1690 O PRO A 111 -9.084 15.017 -3.667 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.382 12.805 -6.178 1.00 0.00 C ATOM 1692 CG PRO A 111 -10.562 12.252 -5.455 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.016 11.582 -4.225 1.00 0.00 C ATOM 0 HA PRO A 111 -7.350 13.078 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.658 13.667 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.949 12.066 -6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.263 13.043 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.104 11.541 -6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.709 11.655 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.830 10.521 -4.394 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.074 15.539 -5.609 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.158 16.979 -5.392 1.00 0.00 C ATOM 1703 C LEU A 112 -9.331 17.578 -6.161 1.00 0.00 C ATOM 1704 O LEU A 112 -10.066 16.866 -6.844 1.00 0.00 O ATOM 1705 CB LEU A 112 -6.854 17.655 -5.819 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.682 17.529 -4.844 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -6.069 18.061 -3.473 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.223 16.082 -4.747 1.00 0.00 C ATOM 0 H LEU A 112 -7.628 15.270 -6.486 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.319 17.153 -4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.549 17.237 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.053 18.714 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.853 18.127 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.223 17.963 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.348 19.111 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.913 17.490 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.389 16.011 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.046 15.462 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.904 15.735 -5.730 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.340 10.526 -8.006 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.160 10.463 -7.154 1.00 0.00 C ATOM 1802 C ALA A 118 -4.924 10.070 -7.956 1.00 0.00 C ATOM 1803 O ALA A 118 -4.910 9.036 -8.623 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.385 9.483 -6.012 1.00 0.00 C ATOM 0 HA ALA A 118 -5.990 11.456 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.495 9.446 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.237 9.809 -5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.584 8.491 -6.418 1.00 0.00 H new ATOM 1810 N GLU A 119 -3.889 10.901 -7.886 1.00 0.00 N ATOM 1811 CA GLU A 119 -2.649 10.639 -8.607 1.00 0.00 C ATOM 1812 C GLU A 119 -2.122 9.242 -8.293 1.00 0.00 C ATOM 1813 O GLU A 119 -1.654 8.529 -9.181 1.00 0.00 O ATOM 1814 CB GLU A 119 -1.593 11.687 -8.250 1.00 0.00 C ATOM 1815 CG GLU A 119 -1.278 11.751 -6.765 1.00 0.00 C ATOM 1816 CD GLU A 119 -0.988 13.162 -6.290 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -1.954 13.920 -6.062 1.00 0.00 O ATOM 1818 OE2 GLU A 119 0.203 13.507 -6.146 1.00 0.00 O ATOM 0 H GLU A 119 -3.885 11.761 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.861 10.697 -9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.677 11.469 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.938 12.666 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.119 11.348 -6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.418 11.116 -6.552 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.200 8.858 -7.024 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.728 7.549 -6.591 1.00 0.00 C ATOM 1827 C TYR A 120 -2.825 6.499 -6.736 1.00 0.00 C ATOM 1828 O TYR A 120 -3.806 6.504 -5.994 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.253 7.609 -5.138 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.078 8.536 -4.922 1.00 0.00 C ATOM 1831 CD1 TYR A 120 1.204 8.165 -5.308 1.00 0.00 C ATOM 1832 CD2 TYR A 120 -0.250 9.782 -4.331 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.281 9.008 -5.113 1.00 0.00 C ATOM 1834 CE2 TYR A 120 0.820 10.632 -4.133 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.084 10.241 -4.525 1.00 0.00 C ATOM 1836 OH TYR A 120 3.153 11.084 -4.329 1.00 0.00 O ATOM 0 H TYR A 120 -2.586 9.435 -6.277 1.00 0.00 H new ATOM 0 HA TYR A 120 -0.891 7.264 -7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.081 7.933 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.978 6.606 -4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 120 1.361 7.201 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -1.237 10.091 -4.021 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.271 8.704 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.668 11.598 -3.674 1.00 0.00 H new ATOM 0 HH TYR A 120 2.887 12.004 -4.537 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.650 5.598 -7.699 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.625 4.542 -7.942 1.00 0.00 C ATOM 1848 C GLU A 121 -2.940 3.275 -8.447 1.00 0.00 C ATOM 1849 O GLU A 121 -2.126 3.323 -9.370 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.672 5.008 -8.956 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.708 5.952 -8.370 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.564 6.611 -9.434 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.115 6.685 -10.597 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.685 7.053 -9.103 1.00 0.00 O ATOM 0 H GLU A 121 -1.843 5.579 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.120 4.315 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.167 5.505 -9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.179 4.136 -9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.350 5.400 -7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.204 6.722 -7.786 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.275 2.145 -7.836 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.691 0.866 -8.221 1.00 0.00 C ATOM 1863 C TYR A 122 -3.775 -0.130 -8.621 1.00 0.00 C ATOM 1864 O TYR A 122 -4.941 0.233 -8.771 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.857 0.295 -7.072 1.00 0.00 C ATOM 1866 CG TYR A 122 -0.988 1.324 -6.385 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.495 2.119 -5.364 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.338 1.502 -6.757 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.705 3.062 -4.734 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.136 2.441 -6.132 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.610 3.218 -5.121 1.00 0.00 C ATOM 1872 OH TYR A 122 1.401 4.155 -4.497 1.00 0.00 O ATOM 0 H TYR A 122 -3.948 2.088 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.044 1.036 -9.081 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.525 -0.153 -6.337 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.224 -0.505 -7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.524 1.998 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.753 0.896 -7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.115 3.673 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.166 2.566 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 122 2.300 4.136 -4.887 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.380 -1.388 -8.790 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.318 -2.437 -9.173 1.00 0.00 C ATOM 1884 C GLU A 123 -3.729 -3.819 -8.904 1.00 0.00 C ATOM 1885 O GLU A 123 -2.797 -4.252 -9.582 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.687 -2.308 -10.652 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.740 -3.305 -11.107 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.884 -3.354 -12.615 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -6.275 -2.327 -13.208 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -5.605 -4.420 -13.203 1.00 0.00 O ATOM 0 H GLU A 123 -2.418 -1.705 -8.668 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.218 -2.321 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.050 -1.298 -10.840 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.789 -2.441 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.479 -4.297 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.700 -3.042 -10.662 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.278 -4.507 -7.908 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.808 -5.839 -7.548 1.00 0.00 C ATOM 1899 C VAL A 124 -3.748 -6.749 -8.770 1.00 0.00 C ATOM 1900 O VAL A 124 -4.769 -7.039 -9.394 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.716 -6.486 -6.485 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.186 -7.857 -6.094 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.834 -5.584 -5.266 1.00 0.00 C ATOM 0 H VAL A 124 -5.049 -4.163 -7.336 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.806 -5.721 -7.136 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.711 -6.615 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.840 -8.299 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.157 -8.500 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.180 -7.755 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.479 -6.056 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.846 -5.422 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.262 -4.626 -5.562 1.00 0.00 H new ATOM 1913 N THR A 125 -2.543 -7.198 -9.108 1.00 0.00 N ATOM 1914 CA THR A 125 -2.348 -8.075 -10.256 1.00 0.00 C ATOM 1915 C THR A 125 -1.167 -9.014 -10.036 1.00 0.00 C ATOM 1916 O THR A 125 -0.289 -8.740 -9.219 1.00 0.00 O ATOM 1917 CB THR A 125 -2.113 -7.267 -11.546 1.00 0.00 C ATOM 1918 OG1 THR A 125 -2.139 -8.139 -12.681 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.781 -6.535 -11.492 1.00 0.00 C ATOM 0 H THR A 125 -1.687 -6.969 -8.603 1.00 0.00 H new ATOM 0 HA THR A 125 -3.260 -8.662 -10.364 1.00 0.00 H new ATOM 0 HB THR A 125 -2.910 -6.529 -11.637 1.00 0.00 H new ATOM 0 HG1 THR A 125 -2.864 -8.791 -12.576 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.638 -5.972 -12.414 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.776 -5.850 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.027 -7.258 -11.379 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.153 -10.121 -10.771 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.079 -11.100 -10.655 1.00 0.00 C ATOM 1929 C GLU A 126 0.779 -11.119 -11.917 1.00 0.00 C ATOM 1930 O GLU A 126 0.268 -11.284 -13.024 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.655 -12.494 -10.396 1.00 0.00 C ATOM 1932 CG GLU A 126 0.300 -13.421 -9.664 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.089 -14.881 -9.795 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.099 -15.167 -10.471 1.00 0.00 O ATOM 1935 OE2 GLU A 126 0.616 -15.737 -9.221 1.00 0.00 O ATOM 0 H GLU A 126 -1.873 -10.362 -11.453 1.00 0.00 H new ATOM 0 HA GLU A 126 0.550 -10.812 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.571 -12.397 -9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.929 -12.947 -11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.308 -13.281 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.327 -13.149 -8.609 1.00 0.00 H new ATOM 1942 N GLU A 127 2.085 -10.949 -11.740 1.00 0.00 N ATOM 1943 CA GLU A 127 3.014 -10.944 -12.864 1.00 0.00 C ATOM 1944 C GLU A 127 4.372 -11.503 -12.450 1.00 0.00 C ATOM 1945 O GLU A 127 4.745 -11.453 -11.278 1.00 0.00 O ATOM 1946 CB GLU A 127 3.179 -9.526 -13.413 1.00 0.00 C ATOM 1947 CG GLU A 127 1.955 -9.013 -14.153 1.00 0.00 C ATOM 1948 CD GLU A 127 1.501 -9.955 -15.251 1.00 0.00 C ATOM 1949 OE1 GLU A 127 2.366 -10.625 -15.853 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.281 -10.022 -15.509 1.00 0.00 O ATOM 0 H GLU A 127 2.524 -10.813 -10.829 1.00 0.00 H new ATOM 0 HA GLU A 127 2.601 -11.582 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.404 -8.850 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.036 -9.504 -14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.140 -8.868 -13.444 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.178 -8.038 -14.585 1.00 0.00 H new ATOM 1957 N ASP A 128 5.107 -12.034 -13.421 1.00 0.00 N ATOM 1958 CA ASP A 128 6.425 -12.602 -13.158 1.00 0.00 C ATOM 1959 C ASP A 128 7.415 -11.514 -12.754 1.00 0.00 C ATOM 1960 O ASP A 128 7.279 -10.358 -13.154 1.00 0.00 O ATOM 1961 CB ASP A 128 6.939 -13.343 -14.393 1.00 0.00 C ATOM 1962 CG ASP A 128 6.110 -14.569 -14.720 1.00 0.00 C ATOM 1963 OD1 ASP A 128 4.915 -14.408 -15.047 1.00 0.00 O ATOM 1964 OD2 ASP A 128 6.656 -15.690 -14.650 1.00 0.00 O ATOM 0 H ASP A 128 4.813 -12.083 -14.397 1.00 0.00 H new ATOM 0 HA ASP A 128 6.332 -13.308 -12.332 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.934 -12.666 -15.247 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.974 -13.641 -14.229 1.00 0.00 H new ATOM 1969 N TRP A 129 8.408 -11.892 -11.958 1.00 0.00 N ATOM 1970 CA TRP A 129 9.420 -10.947 -11.498 1.00 0.00 C ATOM 1971 C TRP A 129 10.128 -10.291 -12.677 1.00 0.00 C ATOM 1972 O TRP A 129 10.522 -9.127 -12.606 1.00 0.00 O ATOM 1973 CB TRP A 129 10.440 -11.656 -10.605 1.00 0.00 C ATOM 1974 CG TRP A 129 11.699 -10.869 -10.400 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.907 -11.085 -10.998 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.873 -9.740 -9.536 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.822 -10.159 -10.558 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.212 -9.322 -9.662 1.00 0.00 C ATOM 1979 CE3 TRP A 129 11.027 -9.040 -8.671 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.723 -8.238 -8.953 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.535 -7.965 -7.968 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.873 -7.572 -8.113 1.00 0.00 C ATOM 0 H TRP A 129 8.535 -12.845 -11.618 1.00 0.00 H new ATOM 0 HA TRP A 129 8.920 -10.169 -10.921 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.985 -11.858 -9.636 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.691 -12.620 -11.047 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.113 -11.869 -11.712 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.797 -10.104 -10.851 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.994 -9.334 -8.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.754 -7.934 -9.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.891 -7.418 -7.295 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.240 -6.726 -7.550 1.00 0.00 H new ATOM 1993 N GLU A 130 10.287 -11.045 -13.761 1.00 0.00 N ATOM 1994 CA GLU A 130 10.949 -10.534 -14.956 1.00 0.00 C ATOM 1995 C GLU A 130 10.050 -9.548 -15.696 1.00 0.00 C ATOM 1996 O GLU A 130 10.470 -8.912 -16.664 1.00 0.00 O ATOM 1997 CB GLU A 130 11.334 -11.687 -15.885 1.00 0.00 C ATOM 1998 CG GLU A 130 12.009 -12.845 -15.169 1.00 0.00 C ATOM 1999 CD GLU A 130 13.274 -13.305 -15.868 1.00 0.00 C ATOM 2000 OE1 GLU A 130 14.054 -12.436 -16.313 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.485 -14.531 -15.969 1.00 0.00 O ATOM 0 H GLU A 130 9.967 -12.011 -13.836 1.00 0.00 H new ATOM 0 HA GLU A 130 11.853 -10.011 -14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.438 -12.053 -16.386 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.002 -11.311 -16.660 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.250 -12.546 -14.149 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.312 -13.680 -15.100 1.00 0.00 H new ATOM 2008 N THR A 131 8.809 -9.427 -15.236 1.00 0.00 N ATOM 2009 CA THR A 131 7.849 -8.521 -15.854 1.00 0.00 C ATOM 2010 C THR A 131 7.744 -7.215 -15.075 1.00 0.00 C ATOM 2011 O THR A 131 7.519 -6.152 -15.654 1.00 0.00 O ATOM 2012 CB THR A 131 6.452 -9.162 -15.949 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.512 -10.352 -16.743 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.451 -8.191 -16.558 1.00 0.00 C ATOM 0 H THR A 131 8.445 -9.946 -14.437 1.00 0.00 H new ATOM 0 HA THR A 131 8.214 -8.313 -16.860 1.00 0.00 H new ATOM 0 HB THR A 131 6.123 -9.414 -14.941 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.620 -10.754 -16.797 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.472 -8.666 -16.615 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.386 -7.298 -15.936 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.778 -7.912 -17.560 1.00 0.00 H new ATOM 2022 N ILE A 132 7.910 -7.302 -13.759 1.00 0.00 N ATOM 2023 CA ILE A 132 7.836 -6.126 -12.902 1.00 0.00 C ATOM 2024 C ILE A 132 9.226 -5.570 -12.609 1.00 0.00 C ATOM 2025 O ILE A 132 9.371 -4.421 -12.191 1.00 0.00 O ATOM 2026 CB ILE A 132 7.132 -6.444 -11.570 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.795 -7.143 -11.829 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.922 -5.171 -10.764 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.310 -7.971 -10.659 1.00 0.00 C ATOM 0 H ILE A 132 8.096 -8.174 -13.264 1.00 0.00 H new ATOM 0 HA ILE A 132 7.255 -5.379 -13.442 1.00 0.00 H new ATOM 0 HB ILE A 132 7.767 -7.116 -10.992 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.042 -6.392 -12.069 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.894 -7.787 -12.703 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.423 -5.413 -9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.887 -4.710 -10.554 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.305 -4.477 -11.334 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.358 -8.437 -10.913 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.044 -8.745 -10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.179 -7.329 -9.788 1.00 0.00 H new ATOM 2041 N TYR A 133 10.244 -6.393 -12.833 1.00 0.00 N ATOM 2042 CA TYR A 133 11.623 -5.984 -12.592 1.00 0.00 C ATOM 2043 C TYR A 133 11.940 -4.680 -13.318 1.00 0.00 C ATOM 2044 O TYR A 133 12.359 -3.691 -12.716 1.00 0.00 O ATOM 2045 CB TYR A 133 12.589 -7.080 -13.047 1.00 0.00 C ATOM 2046 CG TYR A 133 13.940 -6.557 -13.476 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.656 -5.680 -12.670 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.502 -6.938 -14.689 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.891 -5.198 -13.058 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.737 -6.463 -15.085 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.428 -5.593 -14.266 1.00 0.00 C ATOM 2052 OH TYR A 133 17.658 -5.116 -14.658 1.00 0.00 O ATOM 0 H TYR A 133 10.141 -7.346 -13.181 1.00 0.00 H new ATOM 0 HA TYR A 133 11.745 -5.822 -11.521 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.726 -7.792 -12.233 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.140 -7.626 -13.877 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.239 -5.370 -11.723 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.963 -7.617 -15.333 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.433 -4.516 -12.420 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.160 -6.771 -16.030 1.00 0.00 H new ATOM 0 HH TYR A 133 17.891 -5.492 -15.532 1.00 0.00 H new ATOM 2062 N PRO A 134 11.733 -4.676 -14.643 1.00 0.00 N ATOM 2063 CA PRO A 134 11.988 -3.500 -15.480 1.00 0.00 C ATOM 2064 C PRO A 134 11.303 -2.248 -14.945 1.00 0.00 C ATOM 2065 O PRO A 134 11.921 -1.187 -14.840 1.00 0.00 O ATOM 2066 CB PRO A 134 11.396 -3.895 -16.836 1.00 0.00 C ATOM 2067 CG PRO A 134 11.464 -5.383 -16.859 1.00 0.00 C ATOM 2068 CD PRO A 134 11.234 -5.819 -15.426 1.00 0.00 C ATOM 0 HA PRO A 134 13.048 -3.249 -15.518 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.369 -3.544 -16.937 1.00 0.00 H new ATOM 0 HB3 PRO A 134 11.964 -3.460 -17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.707 -5.801 -17.523 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.432 -5.726 -17.223 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.180 -6.013 -15.228 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.776 -6.735 -15.192 1.00 0.00 H new ATOM 2076 N CYS A 135 10.024 -2.377 -14.608 1.00 0.00 N ATOM 2077 CA CYS A 135 9.255 -1.254 -14.084 1.00 0.00 C ATOM 2078 C CYS A 135 8.911 -1.470 -12.613 1.00 0.00 C ATOM 2079 O CYS A 135 7.739 -1.531 -12.241 1.00 0.00 O ATOM 2080 CB CYS A 135 7.973 -1.063 -14.896 1.00 0.00 C ATOM 2081 SG CYS A 135 8.244 -0.921 -16.678 1.00 0.00 S ATOM 0 H CYS A 135 9.498 -3.247 -14.688 1.00 0.00 H new ATOM 0 HA CYS A 135 9.867 -0.356 -14.168 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.307 -1.904 -14.706 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.463 -0.166 -14.544 1.00 0.00 H new ATOM 0 HG CYS A 135 7.397 -0.072 -17.179 1.00 0.00 H new ATOM 2087 N LEU A 136 9.941 -1.586 -11.782 1.00 0.00 N ATOM 2088 CA LEU A 136 9.749 -1.797 -10.351 1.00 0.00 C ATOM 2089 C LEU A 136 9.584 -0.468 -9.622 1.00 0.00 C ATOM 2090 O LEU A 136 9.845 0.596 -10.184 1.00 0.00 O ATOM 2091 CB LEU A 136 10.933 -2.569 -9.766 1.00 0.00 C ATOM 2092 CG LEU A 136 10.636 -3.991 -9.287 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.863 -4.597 -8.623 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.453 -3.994 -8.330 1.00 0.00 C ATOM 0 H LEU A 136 10.917 -1.538 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 136 8.839 -2.381 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.718 -2.618 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.333 -2.000 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 136 10.379 -4.600 -10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.633 -5.609 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.685 -4.629 -9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.151 -3.988 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.255 -5.014 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.682 -3.370 -7.466 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.573 -3.601 -8.838 1.00 0.00 H new ATOM 2106 N SER A 137 9.151 -0.536 -8.367 1.00 0.00 N ATOM 2107 CA SER A 137 8.950 0.662 -7.561 1.00 0.00 C ATOM 2108 C SER A 137 10.176 0.949 -6.699 1.00 0.00 C ATOM 2109 O SER A 137 11.007 0.076 -6.447 1.00 0.00 O ATOM 2110 CB SER A 137 7.714 0.504 -6.674 1.00 0.00 C ATOM 2111 OG SER A 137 7.987 0.906 -5.343 1.00 0.00 O ATOM 0 H SER A 137 8.933 -1.409 -7.886 1.00 0.00 H new ATOM 0 HA SER A 137 8.798 1.504 -8.237 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.895 1.100 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.386 -0.536 -6.683 1.00 0.00 H new ATOM 0 HG SER A 137 7.949 0.126 -4.751 1.00 0.00 H new ATOM 2117 N PRO A 138 10.292 2.202 -6.235 1.00 0.00 N ATOM 2118 CA PRO A 138 11.411 2.634 -5.394 1.00 0.00 C ATOM 2119 C PRO A 138 11.361 2.019 -4.000 1.00 0.00 C ATOM 2120 O PRO A 138 10.634 2.493 -3.126 1.00 0.00 O ATOM 2121 CB PRO A 138 11.230 4.152 -5.315 1.00 0.00 C ATOM 2122 CG PRO A 138 9.775 4.373 -5.544 1.00 0.00 C ATOM 2123 CD PRO A 138 9.338 3.293 -6.496 1.00 0.00 C ATOM 0 HA PRO A 138 12.372 2.326 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.541 4.538 -4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.831 4.662 -6.068 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.219 4.317 -4.608 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.592 5.362 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.311 2.982 -6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.384 3.628 -7.532 1.00 0.00 H new ATOM 2131 N LYS A 139 12.136 0.959 -3.797 1.00 0.00 N ATOM 2132 CA LYS A 139 12.182 0.278 -2.508 1.00 0.00 C ATOM 2133 C LYS A 139 12.981 1.089 -1.493 1.00 0.00 C ATOM 2134 O LYS A 139 13.871 1.856 -1.859 1.00 0.00 O ATOM 2135 CB LYS A 139 12.798 -1.113 -2.665 1.00 0.00 C ATOM 2136 CG LYS A 139 11.797 -2.180 -3.073 1.00 0.00 C ATOM 2137 CD LYS A 139 12.464 -3.535 -3.242 1.00 0.00 C ATOM 2138 CE LYS A 139 11.478 -4.583 -3.735 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.019 -4.303 -5.124 1.00 0.00 N ATOM 0 H LYS A 139 12.742 0.552 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 139 11.160 0.176 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.592 -1.067 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.262 -1.404 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.012 -2.251 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.316 -1.891 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 139 13.290 -3.450 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.890 -3.853 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 139 11.945 -5.567 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.617 -4.614 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 10.796 -5.199 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 10.169 -3.705 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.772 -3.810 -5.646 1.00 0.00 H new ATOM 2153 N SER A 140 12.658 0.912 -0.216 1.00 0.00 N ATOM 2154 CA SER A 140 13.344 1.629 0.853 1.00 0.00 C ATOM 2155 C SER A 140 13.609 0.709 2.041 1.00 0.00 C ATOM 2156 O SER A 140 12.707 0.027 2.525 1.00 0.00 O ATOM 2157 CB SER A 140 12.516 2.835 1.301 1.00 0.00 C ATOM 2158 OG SER A 140 12.750 3.135 2.666 1.00 0.00 O ATOM 0 H SER A 140 11.926 0.278 0.104 1.00 0.00 H new ATOM 0 HA SER A 140 14.301 1.979 0.466 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.766 3.700 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.457 2.630 1.147 1.00 0.00 H new ATOM 0 HG SER A 140 12.003 2.804 3.207 1.00 0.00 H new