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 49 GLN : amide:sc= -0.457 X(o=-0.36,f=-0.32) USER MOD Set 1.2: A 140 SER OG : rot -171:sc= 0.0981 USER MOD Set 2.1: A 102 GLN :FLIP amide:sc= 0.538 F(o=0.087,f=1.1) USER MOD Set 2.2: A 125 THR OG1 : rot 41:sc= 0.599 USER MOD Set 3.1: A 73 GLN : amide:sc= -0.177 K(o=-1.5,f=-2.1) USER MOD Set 3.2: A 101 HIS : no HE2:sc= -1.34 X(o=-1.5,f=-1.5) USER MOD Set 4.1: A 63 HIS : no HD1:sc= -0.71 K(o=-0.96,f=-3.4!) USER MOD Set 4.2: A 83 ASN : amide:sc= -0.248 K(o=-0.96,f=-2.2) USER MOD Set 5.1: A 39 THR OG1 : rot -170:sc= -0.225 USER MOD Set 5.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 42:sc= 0.0907 USER MOD Single : A 19 CYS SG : rot 170:sc= -0.224 USER MOD Single : A 25 MET CE :methyl 152:sc= -1.57! (180deg=-2.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 168:sc= 0.0992 USER MOD Single : A 48 TYR OH : rot -167:sc= -0.167 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 22:sc= -0.627 USER MOD Single : A 58 MET CE :methyl 157:sc= -1.62 (180deg=-2.11) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.024) USER MOD Single : A 64 CYS SG : rot 177:sc= -0.446 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.358 K(o=0.36,f=-3!) USER MOD Single : A 69 ASN : amide:sc= -1.19! C(o=-1.2!,f=-9.6!) USER MOD Single : A 75 THR OG1 : rot 34:sc= 0.321 USER MOD Single : A 77 MET CE :methyl -155:sc= 0 (180deg=-0.27) USER MOD Single : A 79 ASN : amide:sc= -0.0317 K(o=-0.032,f=-0.77) USER MOD Single : A 80 LYS NZ :NH3+ -171:sc=-0.00799 (180deg=-0.129) USER MOD Single : A 81 SER OG : rot 180:sc= -0.442 USER MOD Single : A 88 ASN : amide:sc= -0.543 K(o=-0.54,f=-5.1!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.109 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.138 X(o=-0.14,f=0.076) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 122 TYR OH : rot -78:sc= -0.121 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 -156:sc= 0.00284 USER MOD Single : A 137 SER OG : rot -137:sc= 0.576 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.534 -17.935 -9.782 1.00 0.00 N ATOM 157 CA GLY A 15 7.188 -17.869 -10.320 1.00 0.00 C ATOM 158 C GLY A 15 6.617 -16.465 -10.283 1.00 0.00 C ATOM 159 O GLY A 15 7.343 -15.499 -10.047 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.193 -18.229 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.540 -18.537 -9.752 1.00 0.00 H new ATOM 163 N ARG A 16 5.314 -16.352 -10.518 1.00 0.00 N ATOM 164 CA ARG A 16 4.647 -15.055 -10.513 1.00 0.00 C ATOM 165 C ARG A 16 4.862 -14.338 -9.184 1.00 0.00 C ATOM 166 O ARG A 16 5.371 -14.922 -8.227 1.00 0.00 O ATOM 167 CB ARG A 16 3.150 -15.227 -10.776 1.00 0.00 C ATOM 168 CG ARG A 16 2.775 -15.142 -12.246 1.00 0.00 C ATOM 169 CD ARG A 16 1.794 -16.237 -12.636 1.00 0.00 C ATOM 170 NE ARG A 16 2.453 -17.339 -13.333 1.00 0.00 N ATOM 171 CZ ARG A 16 1.905 -18.538 -13.493 1.00 0.00 C ATOM 172 NH1 ARG A 16 0.696 -18.789 -13.009 1.00 0.00 N ATOM 173 NH2 ARG A 16 2.567 -19.490 -14.139 1.00 0.00 N ATOM 0 H ARG A 16 4.699 -17.142 -10.714 1.00 0.00 H new ATOM 0 HA ARG A 16 5.081 -14.448 -11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.830 -16.192 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.603 -14.462 -10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.335 -14.167 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.674 -15.223 -12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.301 -16.617 -11.742 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.017 -15.817 -13.275 1.00 0.00 H new ATOM 0 HE ARG A 16 3.384 -17.179 -13.717 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.184 -18.060 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.278 -19.711 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.497 -19.301 -14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.146 -20.411 -14.262 1.00 0.00 H new ATOM 187 N SER A 17 4.472 -13.069 -9.132 1.00 0.00 N ATOM 188 CA SER A 17 4.626 -12.270 -7.922 1.00 0.00 C ATOM 189 C SER A 17 3.658 -11.091 -7.922 1.00 0.00 C ATOM 190 O SER A 17 3.826 -10.136 -8.680 1.00 0.00 O ATOM 191 CB SER A 17 6.065 -11.764 -7.799 1.00 0.00 C ATOM 192 OG SER A 17 6.804 -12.547 -6.879 1.00 0.00 O ATOM 0 H SER A 17 4.047 -12.571 -9.914 1.00 0.00 H new ATOM 0 HA SER A 17 4.397 -12.905 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.548 -11.792 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.061 -10.723 -7.475 1.00 0.00 H new ATOM 0 HG SER A 17 6.591 -13.494 -7.010 1.00 0.00 H new ATOM 198 N TRP A 18 2.645 -11.166 -7.066 1.00 0.00 N ATOM 199 CA TRP A 18 1.649 -10.105 -6.967 1.00 0.00 C ATOM 200 C TRP A 18 2.316 -8.747 -6.779 1.00 0.00 C ATOM 201 O TRP A 18 3.454 -8.664 -6.314 1.00 0.00 O ATOM 202 CB TRP A 18 0.693 -10.382 -5.805 1.00 0.00 C ATOM 203 CG TRP A 18 -0.174 -11.585 -6.024 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.143 -12.885 -5.749 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.500 -11.599 -6.564 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.906 -13.706 -6.086 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.926 -12.942 -6.587 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.369 -10.609 -7.028 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.182 -13.316 -7.057 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.615 -10.982 -7.495 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.013 -12.325 -7.506 1.00 0.00 C ATOM 0 H TRP A 18 2.492 -11.949 -6.431 1.00 0.00 H new ATOM 0 HA TRP A 18 1.083 -10.085 -7.898 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.272 -10.522 -4.892 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.059 -9.509 -5.649 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.080 -13.218 -5.329 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.922 -14.720 -5.980 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.073 -9.571 -7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.490 -14.351 -7.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.294 -10.225 -7.858 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.994 -12.584 -7.876 1.00 0.00 H new ATOM 222 N CYS A 19 1.604 -7.687 -7.144 1.00 0.00 N ATOM 223 CA CYS A 19 2.129 -6.332 -7.016 1.00 0.00 C ATOM 224 C CYS A 19 1.017 -5.301 -7.180 1.00 0.00 C ATOM 225 O CYS A 19 -0.137 -5.650 -7.432 1.00 0.00 O ATOM 226 CB CYS A 19 3.226 -6.088 -8.053 1.00 0.00 C ATOM 227 SG CYS A 19 2.616 -5.925 -9.748 1.00 0.00 S ATOM 0 H CYS A 19 0.662 -7.739 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 19 2.554 -6.225 -6.018 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.769 -5.182 -7.785 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.939 -6.911 -8.012 1.00 0.00 H new ATOM 0 HG CYS A 19 3.579 -5.511 -10.518 1.00 0.00 H new ATOM 233 N LEU A 20 1.372 -4.029 -7.034 1.00 0.00 N ATOM 234 CA LEU A 20 0.404 -2.945 -7.165 1.00 0.00 C ATOM 235 C LEU A 20 0.670 -2.126 -8.423 1.00 0.00 C ATOM 236 O LEU A 20 1.123 -0.984 -8.348 1.00 0.00 O ATOM 237 CB LEU A 20 0.453 -2.040 -5.933 1.00 0.00 C ATOM 238 CG LEU A 20 0.036 -2.683 -4.610 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.189 -1.694 -3.464 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.396 -3.190 -4.691 1.00 0.00 C ATOM 0 H LEU A 20 2.322 -3.723 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.590 -3.386 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.470 -1.662 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.190 -1.179 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 20 0.691 -3.533 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.112 -2.169 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.230 -1.379 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.441 -0.824 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.675 -3.644 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.065 -2.357 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.475 -3.932 -5.485 1.00 0.00 H new ATOM 252 N ARG A 21 0.384 -2.716 -9.579 1.00 0.00 N ATOM 253 CA ARG A 21 0.592 -2.040 -10.854 1.00 0.00 C ATOM 254 C ARG A 21 -0.066 -0.664 -10.853 1.00 0.00 C ATOM 255 O ARG A 21 -1.292 -0.550 -10.876 1.00 0.00 O ATOM 256 CB ARG A 21 0.031 -2.884 -12.000 1.00 0.00 C ATOM 257 CG ARG A 21 0.702 -2.617 -13.338 1.00 0.00 C ATOM 258 CD ARG A 21 -0.135 -3.140 -14.495 1.00 0.00 C ATOM 259 NE ARG A 21 -1.277 -2.274 -14.779 1.00 0.00 N ATOM 260 CZ ARG A 21 -2.083 -2.439 -15.822 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.874 -3.433 -16.675 1.00 0.00 N ATOM 262 NH2 ARG A 21 -3.101 -1.610 -16.013 1.00 0.00 N ATOM 0 H ARG A 21 0.008 -3.661 -9.659 1.00 0.00 H new ATOM 0 HA ARG A 21 1.665 -1.911 -10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.143 -3.939 -11.751 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.037 -2.690 -12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.862 -1.546 -13.459 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.684 -3.090 -13.355 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.488 -3.222 -15.385 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.490 -4.144 -14.261 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.466 -1.500 -14.142 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.093 -4.073 -16.531 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.494 -3.557 -17.475 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.265 -0.845 -15.359 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.719 -1.738 -16.814 1.00 0.00 H new ATOM 276 N ARG A 22 0.757 0.380 -10.826 1.00 0.00 N ATOM 277 CA ARG A 22 0.256 1.749 -10.820 1.00 0.00 C ATOM 278 C ARG A 22 -0.667 1.994 -12.011 1.00 0.00 C ATOM 279 O ARG A 22 -0.297 1.747 -13.158 1.00 0.00 O ATOM 280 CB ARG A 22 1.419 2.741 -10.850 1.00 0.00 C ATOM 281 CG ARG A 22 0.985 4.193 -10.740 1.00 0.00 C ATOM 282 CD ARG A 22 0.876 4.634 -9.289 1.00 0.00 C ATOM 283 NE ARG A 22 1.525 5.922 -9.058 1.00 0.00 N ATOM 284 CZ ARG A 22 1.046 7.077 -9.504 1.00 0.00 C ATOM 285 NH1 ARG A 22 -0.082 7.106 -10.200 1.00 0.00 N ATOM 286 NH2 ARG A 22 1.694 8.207 -9.253 1.00 0.00 N ATOM 0 H ARG A 22 1.774 0.303 -10.808 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.314 1.897 -9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.102 2.512 -10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.976 2.607 -11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.701 4.828 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.023 4.325 -11.235 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.175 4.702 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.329 3.879 -8.646 1.00 0.00 H new ATOM 0 HE ARG A 22 2.394 5.935 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.584 6.240 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.448 7.995 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.561 8.189 -8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.325 9.094 -9.596 1.00 0.00 H new ATOM 300 N VAL A 23 -1.871 2.483 -11.729 1.00 0.00 N ATOM 301 CA VAL A 23 -2.847 2.763 -12.775 1.00 0.00 C ATOM 302 C VAL A 23 -2.463 4.009 -13.566 1.00 0.00 C ATOM 303 O VAL A 23 -2.239 5.075 -12.994 1.00 0.00 O ATOM 304 CB VAL A 23 -4.258 2.955 -12.190 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.252 3.294 -13.291 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.694 1.710 -11.432 1.00 0.00 C ATOM 0 H VAL A 23 -2.193 2.693 -10.784 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.852 1.900 -13.441 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.231 3.789 -11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.244 3.426 -12.858 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.946 4.216 -13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.279 2.483 -14.019 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.694 1.863 -11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.705 0.857 -12.110 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.996 1.517 -10.617 1.00 0.00 H new ATOM 316 N GLY A 24 -2.388 3.866 -14.886 1.00 0.00 N ATOM 317 CA GLY A 24 -2.031 4.988 -15.734 1.00 0.00 C ATOM 318 C GLY A 24 -0.544 5.047 -16.022 1.00 0.00 C ATOM 319 O GLY A 24 -0.132 5.413 -17.122 1.00 0.00 O ATOM 0 H GLY A 24 -2.568 2.993 -15.383 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.578 4.917 -16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.342 5.916 -15.254 1.00 0.00 H new ATOM 323 N MET A 25 0.264 4.688 -15.030 1.00 0.00 N ATOM 324 CA MET A 25 1.714 4.702 -15.182 1.00 0.00 C ATOM 325 C MET A 25 2.267 3.283 -15.259 1.00 0.00 C ATOM 326 O MET A 25 1.778 2.379 -14.581 1.00 0.00 O ATOM 327 CB MET A 25 2.363 5.453 -14.018 1.00 0.00 C ATOM 328 CG MET A 25 2.610 6.925 -14.306 1.00 0.00 C ATOM 329 SD MET A 25 2.664 7.926 -12.807 1.00 0.00 S ATOM 330 CE MET A 25 3.682 6.899 -11.751 1.00 0.00 C ATOM 0 H MET A 25 -0.061 4.384 -14.112 1.00 0.00 H new ATOM 0 HA MET A 25 1.951 5.216 -16.114 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.724 5.365 -13.139 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.311 4.975 -13.772 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.552 7.033 -14.845 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.823 7.300 -14.961 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.212 7.527 -11.035 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.051 6.190 -11.215 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.403 6.354 -12.360 1.00 0.00 H new ATOM 340 N SER A 26 3.288 3.094 -16.089 1.00 0.00 N ATOM 341 CA SER A 26 3.904 1.783 -16.256 1.00 0.00 C ATOM 342 C SER A 26 5.094 1.617 -15.316 1.00 0.00 C ATOM 343 O SER A 26 5.926 0.729 -15.500 1.00 0.00 O ATOM 344 CB SER A 26 4.355 1.590 -17.706 1.00 0.00 C ATOM 345 OG SER A 26 3.243 1.418 -18.567 1.00 0.00 O ATOM 0 H SER A 26 3.706 3.832 -16.656 1.00 0.00 H new ATOM 0 HA SER A 26 3.160 1.025 -16.009 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.937 2.454 -18.027 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.010 0.721 -17.774 1.00 0.00 H new ATOM 0 HG SER A 26 3.557 1.298 -19.487 1.00 0.00 H new ATOM 351 N ALA A 27 5.166 2.479 -14.307 1.00 0.00 N ATOM 352 CA ALA A 27 6.252 2.429 -13.335 1.00 0.00 C ATOM 353 C ALA A 27 5.719 2.534 -11.910 1.00 0.00 C ATOM 354 O ALA A 27 4.518 2.696 -11.697 1.00 0.00 O ATOM 355 CB ALA A 27 7.257 3.538 -13.608 1.00 0.00 C ATOM 0 H ALA A 27 4.485 3.220 -14.141 1.00 0.00 H new ATOM 0 HA ALA A 27 6.753 1.467 -13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.062 3.488 -12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.670 3.416 -14.609 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.760 4.505 -13.536 1.00 0.00 H new ATOM 361 N GLY A 28 6.620 2.439 -10.937 1.00 0.00 N ATOM 362 CA GLY A 28 6.221 2.526 -9.545 1.00 0.00 C ATOM 363 C GLY A 28 5.394 1.334 -9.104 1.00 0.00 C ATOM 364 O GLY A 28 4.417 1.485 -8.371 1.00 0.00 O ATOM 0 H GLY A 28 7.620 2.303 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.110 2.599 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.647 3.440 -9.391 1.00 0.00 H new ATOM 368 N TRP A 29 5.785 0.147 -9.553 1.00 0.00 N ATOM 369 CA TRP A 29 5.072 -1.076 -9.202 1.00 0.00 C ATOM 370 C TRP A 29 5.584 -1.645 -7.884 1.00 0.00 C ATOM 371 O TRP A 29 6.758 -1.999 -7.763 1.00 0.00 O ATOM 372 CB TRP A 29 5.222 -2.116 -10.314 1.00 0.00 C ATOM 373 CG TRP A 29 4.577 -1.705 -11.603 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.926 -0.531 -11.855 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.520 -2.466 -12.813 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.468 -0.517 -13.151 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.820 -1.692 -13.760 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.994 -3.725 -13.191 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.583 -2.139 -15.057 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.758 -4.167 -14.479 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.058 -3.376 -15.400 1.00 0.00 C ATOM 0 H TRP A 29 6.592 0.005 -10.161 1.00 0.00 H new ATOM 0 HA TRP A 29 4.017 -0.831 -9.084 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.282 -2.300 -10.489 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.786 -3.058 -9.982 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.791 0.268 -11.141 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.950 0.245 -13.588 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.535 -4.342 -12.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.043 -1.531 -15.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.119 -5.139 -14.781 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.890 -3.750 -16.399 1.00 0.00 H new ATOM 392 N LEU A 30 4.698 -1.733 -6.898 1.00 0.00 N ATOM 393 CA LEU A 30 5.062 -2.260 -5.587 1.00 0.00 C ATOM 394 C LEU A 30 4.968 -3.783 -5.568 1.00 0.00 C ATOM 395 O LEU A 30 3.878 -4.349 -5.667 1.00 0.00 O ATOM 396 CB LEU A 30 4.154 -1.668 -4.507 1.00 0.00 C ATOM 397 CG LEU A 30 4.218 -0.150 -4.336 1.00 0.00 C ATOM 398 CD1 LEU A 30 3.390 0.543 -5.407 1.00 0.00 C ATOM 399 CD2 LEU A 30 3.741 0.251 -2.948 1.00 0.00 C ATOM 0 H LEU A 30 3.723 -1.446 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 30 6.094 -1.975 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.125 -1.945 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.406 -2.132 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 30 5.255 0.165 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.447 1.623 -5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.777 0.282 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.351 0.222 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.793 1.335 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.711 -0.077 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.376 -0.217 -2.196 1.00 0.00 H new ATOM 411 N LEU A 31 6.115 -4.439 -5.437 1.00 0.00 N ATOM 412 CA LEU A 31 6.162 -5.897 -5.402 1.00 0.00 C ATOM 413 C LEU A 31 5.568 -6.430 -4.102 1.00 0.00 C ATOM 414 O LEU A 31 5.801 -5.876 -3.027 1.00 0.00 O ATOM 415 CB LEU A 31 7.604 -6.384 -5.554 1.00 0.00 C ATOM 416 CG LEU A 31 7.823 -7.890 -5.411 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.501 -8.602 -6.716 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.253 -8.184 -4.981 1.00 0.00 C ATOM 0 H LEU A 31 7.025 -3.985 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 31 5.567 -6.275 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.969 -6.076 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.218 -5.876 -4.811 1.00 0.00 H new ATOM 0 HG LEU A 31 7.149 -8.263 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.663 -9.673 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.460 -8.420 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.149 -8.224 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.390 -9.261 -4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.945 -7.796 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.450 -7.706 -4.022 1.00 0.00 H new ATOM 430 N LEU A 32 4.801 -7.509 -4.208 1.00 0.00 N ATOM 431 CA LEU A 32 4.174 -8.120 -3.041 1.00 0.00 C ATOM 432 C LEU A 32 4.655 -9.555 -2.852 1.00 0.00 C ATOM 433 O LEU A 32 3.900 -10.504 -3.056 1.00 0.00 O ATOM 434 CB LEU A 32 2.651 -8.095 -3.184 1.00 0.00 C ATOM 435 CG LEU A 32 1.996 -6.714 -3.150 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.570 -6.787 -3.675 1.00 0.00 C ATOM 437 CD2 LEU A 32 2.018 -6.147 -1.738 1.00 0.00 C ATOM 0 H LEU A 32 4.598 -7.979 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 32 4.460 -7.542 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.387 -8.577 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.221 -8.699 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 32 2.566 -6.047 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.119 -5.795 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.579 -7.149 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.011 -7.469 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.548 -5.164 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.473 -6.813 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.050 -6.057 -1.398 1.00 0.00 H new ATOM 449 N GLU A 33 5.917 -9.703 -2.459 1.00 0.00 N ATOM 450 CA GLU A 33 6.498 -11.023 -2.242 1.00 0.00 C ATOM 451 C GLU A 33 5.667 -11.826 -1.245 1.00 0.00 C ATOM 452 O GLU A 33 5.150 -11.280 -0.270 1.00 0.00 O ATOM 453 CB GLU A 33 7.936 -10.894 -1.736 1.00 0.00 C ATOM 454 CG GLU A 33 8.970 -11.477 -2.685 1.00 0.00 C ATOM 455 CD GLU A 33 10.328 -11.652 -2.034 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.756 -10.737 -1.300 1.00 0.00 O ATOM 457 OE2 GLU A 33 10.961 -12.704 -2.258 1.00 0.00 O ATOM 0 H GLU A 33 6.555 -8.927 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 33 6.501 -11.552 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.161 -9.840 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.019 -11.393 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.619 -12.442 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.069 -10.825 -3.553 1.00 0.00 H new ATOM 464 N ASP A 34 5.542 -13.124 -1.498 1.00 0.00 N ATOM 465 CA ASP A 34 4.775 -14.003 -0.623 1.00 0.00 C ATOM 466 C ASP A 34 5.376 -14.035 0.778 1.00 0.00 C ATOM 467 O ASP A 34 6.554 -14.343 0.953 1.00 0.00 O ATOM 468 CB ASP A 34 4.726 -15.418 -1.203 1.00 0.00 C ATOM 469 CG ASP A 34 4.302 -16.450 -0.176 1.00 0.00 C ATOM 470 OD1 ASP A 34 5.141 -16.822 0.671 1.00 0.00 O ATOM 471 OD2 ASP A 34 3.133 -16.886 -0.220 1.00 0.00 O ATOM 0 H ASP A 34 5.962 -13.591 -2.302 1.00 0.00 H new ATOM 0 HA ASP A 34 3.760 -13.611 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.032 -15.439 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.709 -15.681 -1.594 1.00 0.00 H new ATOM 476 N GLY A 35 4.557 -13.713 1.775 1.00 0.00 N ATOM 477 CA GLY A 35 5.026 -13.710 3.149 1.00 0.00 C ATOM 478 C GLY A 35 5.925 -12.528 3.451 1.00 0.00 C ATOM 479 O GLY A 35 6.730 -12.574 4.382 1.00 0.00 O ATOM 0 H GLY A 35 3.578 -13.454 1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.169 -13.692 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.568 -14.635 3.347 1.00 0.00 H new ATOM 483 N CYS A 36 5.790 -11.467 2.664 1.00 0.00 N ATOM 484 CA CYS A 36 6.600 -10.268 2.851 1.00 0.00 C ATOM 485 C CYS A 36 5.716 -9.046 3.077 1.00 0.00 C ATOM 486 O CYS A 36 4.948 -8.653 2.200 1.00 0.00 O ATOM 487 CB CYS A 36 7.502 -10.042 1.637 1.00 0.00 C ATOM 488 SG CYS A 36 9.170 -10.716 1.821 1.00 0.00 S ATOM 0 H CYS A 36 5.128 -11.412 1.890 1.00 0.00 H new ATOM 0 HA CYS A 36 7.222 -10.413 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.034 -10.492 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.573 -8.971 1.445 1.00 0.00 H new ATOM 0 HG CYS A 36 9.771 -10.709 0.668 1.00 0.00 H new ATOM 494 N GLU A 37 5.831 -8.451 4.260 1.00 0.00 N ATOM 495 CA GLU A 37 5.040 -7.274 4.603 1.00 0.00 C ATOM 496 C GLU A 37 5.382 -6.103 3.686 1.00 0.00 C ATOM 497 O GLU A 37 6.553 -5.783 3.479 1.00 0.00 O ATOM 498 CB GLU A 37 5.277 -6.880 6.062 1.00 0.00 C ATOM 499 CG GLU A 37 4.030 -6.369 6.764 1.00 0.00 C ATOM 500 CD GLU A 37 4.351 -5.482 7.952 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.331 -4.712 7.870 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.622 -5.558 8.963 1.00 0.00 O ATOM 0 H GLU A 37 6.463 -8.764 4.997 1.00 0.00 H new ATOM 0 HA GLU A 37 3.987 -7.523 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.662 -7.743 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.047 -6.110 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.420 -5.811 6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.433 -7.217 7.099 1.00 0.00 H new ATOM 509 N VAL A 38 4.351 -5.467 3.138 1.00 0.00 N ATOM 510 CA VAL A 38 4.541 -4.332 2.244 1.00 0.00 C ATOM 511 C VAL A 38 3.827 -3.092 2.771 1.00 0.00 C ATOM 512 O VAL A 38 2.606 -2.973 2.666 1.00 0.00 O ATOM 513 CB VAL A 38 4.028 -4.642 0.825 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.210 -3.437 -0.084 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.738 -5.861 0.257 1.00 0.00 C ATOM 0 H VAL A 38 3.376 -5.719 3.298 1.00 0.00 H new ATOM 0 HA VAL A 38 5.613 -4.140 2.200 1.00 0.00 H new ATOM 0 HB VAL A 38 2.963 -4.865 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.842 -3.675 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.651 -2.591 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.268 -3.179 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.363 -6.066 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.810 -5.669 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.550 -6.723 0.897 1.00 0.00 H new ATOM 525 N THR A 39 4.597 -2.168 3.338 1.00 0.00 N ATOM 526 CA THR A 39 4.039 -0.937 3.883 1.00 0.00 C ATOM 527 C THR A 39 4.304 0.244 2.955 1.00 0.00 C ATOM 528 O THR A 39 5.390 0.371 2.390 1.00 0.00 O ATOM 529 CB THR A 39 4.621 -0.623 5.274 1.00 0.00 C ATOM 530 OG1 THR A 39 5.984 -0.204 5.151 1.00 0.00 O ATOM 531 CG2 THR A 39 4.539 -1.841 6.182 1.00 0.00 C ATOM 0 H THR A 39 5.609 -2.249 3.432 1.00 0.00 H new ATOM 0 HA THR A 39 2.964 -1.091 3.974 1.00 0.00 H new ATOM 0 HB THR A 39 4.033 0.181 5.717 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.394 -0.158 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.956 -1.595 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.497 -2.140 6.297 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.105 -2.662 5.742 1.00 0.00 H new ATOM 539 N VAL A 40 3.304 1.107 2.803 1.00 0.00 N ATOM 540 CA VAL A 40 3.430 2.279 1.946 1.00 0.00 C ATOM 541 C VAL A 40 3.204 3.564 2.734 1.00 0.00 C ATOM 542 O VAL A 40 2.426 3.591 3.687 1.00 0.00 O ATOM 543 CB VAL A 40 2.433 2.227 0.773 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.706 3.353 -0.212 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.497 0.874 0.080 1.00 0.00 C ATOM 0 H VAL A 40 2.398 1.016 3.262 1.00 0.00 H new ATOM 0 HA VAL A 40 4.446 2.273 1.550 1.00 0.00 H new ATOM 0 HB VAL A 40 1.426 2.360 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.991 3.299 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.604 4.313 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.718 3.255 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.786 0.854 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.504 0.709 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.247 0.088 0.793 1.00 0.00 H new ATOM 555 N GLY A 41 3.889 4.629 2.329 1.00 0.00 N ATOM 556 CA GLY A 41 3.748 5.904 3.009 1.00 0.00 C ATOM 557 C GLY A 41 4.672 6.966 2.446 1.00 0.00 C ATOM 558 O GLY A 41 5.379 6.727 1.467 1.00 0.00 O ATOM 0 H GLY A 41 4.539 4.632 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.716 6.244 2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.956 5.771 4.071 1.00 0.00 H new ATOM 562 N ARG A 42 4.666 8.142 3.066 1.00 0.00 N ATOM 563 CA ARG A 42 5.507 9.245 2.619 1.00 0.00 C ATOM 564 C ARG A 42 6.693 9.440 3.560 1.00 0.00 C ATOM 565 O ARG A 42 7.234 10.539 3.673 1.00 0.00 O ATOM 566 CB ARG A 42 4.691 10.536 2.535 1.00 0.00 C ATOM 567 CG ARG A 42 4.093 10.965 3.865 1.00 0.00 C ATOM 568 CD ARG A 42 3.930 12.476 3.940 1.00 0.00 C ATOM 569 NE ARG A 42 3.610 12.924 5.293 1.00 0.00 N ATOM 570 CZ ARG A 42 3.755 14.179 5.704 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.211 15.105 4.872 1.00 0.00 N ATOM 572 NH2 ARG A 42 3.442 14.510 6.950 1.00 0.00 N ATOM 0 H ARG A 42 4.088 8.355 3.879 1.00 0.00 H new ATOM 0 HA ARG A 42 5.888 9.000 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.329 11.335 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.887 10.402 1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.123 10.486 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.733 10.626 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.849 12.957 3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.140 12.790 3.258 1.00 0.00 H new ATOM 0 HE ARG A 42 3.256 12.236 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.452 14.855 3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.321 16.068 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.090 13.801 7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.554 15.474 7.265 1.00 0.00 H new ATOM 586 N GLY A 43 7.090 8.365 4.234 1.00 0.00 N ATOM 587 CA GLY A 43 8.207 8.440 5.157 1.00 0.00 C ATOM 588 C GLY A 43 9.407 7.645 4.680 1.00 0.00 C ATOM 589 O GLY A 43 9.344 6.967 3.655 1.00 0.00 O ATOM 0 H GLY A 43 6.658 7.444 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.495 9.483 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.894 8.069 6.133 1.00 0.00 H new ATOM 593 N PHE A 44 10.505 7.730 5.425 1.00 0.00 N ATOM 594 CA PHE A 44 11.725 7.015 5.071 1.00 0.00 C ATOM 595 C PHE A 44 11.825 5.697 5.834 1.00 0.00 C ATOM 596 O PHE A 44 12.918 5.245 6.172 1.00 0.00 O ATOM 597 CB PHE A 44 12.952 7.881 5.364 1.00 0.00 C ATOM 598 CG PHE A 44 13.087 9.061 4.444 1.00 0.00 C ATOM 599 CD1 PHE A 44 13.518 8.893 3.138 1.00 0.00 C ATOM 600 CD2 PHE A 44 12.781 10.339 4.885 1.00 0.00 C ATOM 601 CE1 PHE A 44 13.643 9.977 2.290 1.00 0.00 C ATOM 602 CE2 PHE A 44 12.904 11.427 4.042 1.00 0.00 C ATOM 603 CZ PHE A 44 13.335 11.245 2.742 1.00 0.00 C ATOM 0 H PHE A 44 10.574 8.287 6.277 1.00 0.00 H new ATOM 0 HA PHE A 44 11.690 6.795 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.898 8.237 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.848 7.265 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.759 7.904 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.442 10.486 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.981 9.833 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 44 12.664 12.418 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.431 12.093 2.080 1.00 0.00 H new ATOM 613 N GLY A 45 10.675 5.087 6.102 1.00 0.00 N ATOM 614 CA GLY A 45 10.653 3.828 6.823 1.00 0.00 C ATOM 615 C GLY A 45 9.857 2.759 6.101 1.00 0.00 C ATOM 616 O GLY A 45 10.193 1.576 6.163 1.00 0.00 O ATOM 0 H GLY A 45 9.758 5.442 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.675 3.479 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.226 3.988 7.813 1.00 0.00 H new ATOM 620 N VAL A 46 8.797 3.175 5.415 1.00 0.00 N ATOM 621 CA VAL A 46 7.950 2.245 4.678 1.00 0.00 C ATOM 622 C VAL A 46 8.720 1.584 3.540 1.00 0.00 C ATOM 623 O VAL A 46 9.673 2.153 3.007 1.00 0.00 O ATOM 624 CB VAL A 46 6.709 2.951 4.102 1.00 0.00 C ATOM 625 CG1 VAL A 46 5.770 3.377 5.220 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.122 4.147 3.257 1.00 0.00 C ATOM 0 H VAL A 46 8.505 4.150 5.354 1.00 0.00 H new ATOM 0 HA VAL A 46 7.628 1.482 5.386 1.00 0.00 H new ATOM 0 HB VAL A 46 6.177 2.248 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.899 3.874 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.449 2.499 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.289 4.064 5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.233 4.635 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.677 4.854 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.752 3.811 2.434 1.00 0.00 H new ATOM 636 N THR A 47 8.300 0.378 3.170 1.00 0.00 N ATOM 637 CA THR A 47 8.949 -0.361 2.095 1.00 0.00 C ATOM 638 C THR A 47 8.983 0.455 0.808 1.00 0.00 C ATOM 639 O THR A 47 10.026 0.578 0.166 1.00 0.00 O ATOM 640 CB THR A 47 8.236 -1.699 1.823 1.00 0.00 C ATOM 641 OG1 THR A 47 8.243 -2.507 3.005 1.00 0.00 O ATOM 642 CG2 THR A 47 8.911 -2.450 0.685 1.00 0.00 C ATOM 0 H THR A 47 7.513 -0.108 3.600 1.00 0.00 H new ATOM 0 HA THR A 47 9.970 -0.561 2.421 1.00 0.00 H new ATOM 0 HB THR A 47 7.206 -1.485 1.536 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.786 -3.355 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.390 -3.392 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.878 -1.844 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.949 -2.653 0.948 1.00 0.00 H new ATOM 650 N TYR A 48 7.835 1.013 0.437 1.00 0.00 N ATOM 651 CA TYR A 48 7.733 1.817 -0.774 1.00 0.00 C ATOM 652 C TYR A 48 7.328 3.250 -0.445 1.00 0.00 C ATOM 653 O TYR A 48 6.146 3.549 -0.278 1.00 0.00 O ATOM 654 CB TYR A 48 6.720 1.198 -1.739 1.00 0.00 C ATOM 655 CG TYR A 48 7.096 -0.192 -2.201 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.177 -0.396 -3.049 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.369 -1.303 -1.787 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.522 -1.663 -3.475 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.709 -2.575 -2.206 1.00 0.00 C ATOM 660 CZ TYR A 48 7.786 -2.750 -3.050 1.00 0.00 C ATOM 661 OH TYR A 48 8.128 -4.015 -3.470 1.00 0.00 O ATOM 0 H TYR A 48 6.963 0.923 0.958 1.00 0.00 H new ATOM 0 HA TYR A 48 8.714 1.836 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.745 1.159 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.617 1.846 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.758 0.452 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.525 -1.169 -1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.364 -1.803 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.135 -3.428 -1.875 1.00 0.00 H new ATOM 0 HH TYR A 48 7.404 -4.639 -3.253 1.00 0.00 H new ATOM 671 N GLN A 49 8.318 4.132 -0.354 1.00 0.00 N ATOM 672 CA GLN A 49 8.065 5.535 -0.044 1.00 0.00 C ATOM 673 C GLN A 49 7.537 6.276 -1.268 1.00 0.00 C ATOM 674 O GLN A 49 7.905 5.965 -2.402 1.00 0.00 O ATOM 675 CB GLN A 49 9.343 6.206 0.461 1.00 0.00 C ATOM 676 CG GLN A 49 9.173 7.685 0.767 1.00 0.00 C ATOM 677 CD GLN A 49 10.437 8.316 1.319 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.548 7.927 0.956 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.274 9.295 2.201 1.00 0.00 N ATOM 0 H GLN A 49 9.302 3.901 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 49 7.307 5.577 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.681 5.694 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.127 6.086 -0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.877 8.209 -0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.364 7.813 1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.335 9.585 2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.088 9.757 2.606 1.00 0.00 H new ATOM 688 N LEU A 50 6.672 7.256 -1.032 1.00 0.00 N ATOM 689 CA LEU A 50 6.092 8.042 -2.116 1.00 0.00 C ATOM 690 C LEU A 50 6.084 9.527 -1.768 1.00 0.00 C ATOM 691 O LEU A 50 5.654 9.918 -0.682 1.00 0.00 O ATOM 692 CB LEU A 50 4.668 7.568 -2.411 1.00 0.00 C ATOM 693 CG LEU A 50 4.468 6.054 -2.492 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.989 5.706 -2.417 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.084 5.502 -3.769 1.00 0.00 C ATOM 0 H LEU A 50 6.357 7.526 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 50 6.707 7.899 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.008 7.961 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.348 8.008 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 50 4.972 5.594 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.866 4.625 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.578 6.067 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.462 6.177 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.932 4.423 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.610 5.968 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.152 5.719 -3.781 1.00 0.00 H new ATOM 707 N VAL A 51 6.560 10.350 -2.696 1.00 0.00 N ATOM 708 CA VAL A 51 6.604 11.793 -2.489 1.00 0.00 C ATOM 709 C VAL A 51 6.421 12.543 -3.804 1.00 0.00 C ATOM 710 O VAL A 51 7.036 12.203 -4.815 1.00 0.00 O ATOM 711 CB VAL A 51 7.934 12.226 -1.845 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.972 13.736 -1.662 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.139 11.515 -0.516 1.00 0.00 C ATOM 0 H VAL A 51 6.921 10.042 -3.599 1.00 0.00 H new ATOM 0 HA VAL A 51 5.784 12.042 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 51 8.749 11.944 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.919 14.023 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.874 14.223 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.150 14.045 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.084 11.833 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.321 11.764 0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.159 10.437 -0.679 1.00 0.00 H new ATOM 723 N SER A 52 5.571 13.564 -3.782 1.00 0.00 N ATOM 724 CA SER A 52 5.304 14.362 -4.973 1.00 0.00 C ATOM 725 C SER A 52 5.482 15.849 -4.683 1.00 0.00 C ATOM 726 O SER A 52 5.789 16.242 -3.558 1.00 0.00 O ATOM 727 CB SER A 52 3.886 14.096 -5.483 1.00 0.00 C ATOM 728 OG SER A 52 3.771 14.413 -6.859 1.00 0.00 O ATOM 0 H SER A 52 5.055 13.858 -2.953 1.00 0.00 H new ATOM 0 HA SER A 52 6.020 14.072 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.630 13.048 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.173 14.688 -4.909 1.00 0.00 H new ATOM 0 HG SER A 52 2.856 14.233 -7.161 1.00 0.00 H new ATOM 734 N LYS A 53 5.286 16.672 -5.707 1.00 0.00 N ATOM 735 CA LYS A 53 5.423 18.117 -5.565 1.00 0.00 C ATOM 736 C LYS A 53 4.057 18.794 -5.548 1.00 0.00 C ATOM 737 O LYS A 53 3.897 19.876 -4.982 1.00 0.00 O ATOM 738 CB LYS A 53 6.271 18.684 -6.706 1.00 0.00 C ATOM 739 CG LYS A 53 7.728 18.256 -6.652 1.00 0.00 C ATOM 740 CD LYS A 53 8.400 18.725 -5.373 1.00 0.00 C ATOM 741 CE LYS A 53 8.633 17.571 -4.410 1.00 0.00 C ATOM 742 NZ LYS A 53 8.677 18.031 -2.994 1.00 0.00 N ATOM 0 H LYS A 53 5.032 16.363 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 53 5.920 18.318 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.843 18.368 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.220 19.772 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.792 17.170 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.259 18.661 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.352 19.198 -5.613 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.781 19.482 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.839 16.834 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.570 17.073 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.837 17.215 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.451 18.716 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.774 18.483 -2.748 1.00 0.00 H new ATOM 756 N ILE A 54 3.075 18.151 -6.170 1.00 0.00 N ATOM 757 CA ILE A 54 1.722 18.690 -6.224 1.00 0.00 C ATOM 758 C ILE A 54 1.070 18.676 -4.845 1.00 0.00 C ATOM 759 O ILE A 54 0.836 19.727 -4.247 1.00 0.00 O ATOM 760 CB ILE A 54 0.838 17.898 -7.205 1.00 0.00 C ATOM 761 CG1 ILE A 54 1.450 17.920 -8.608 1.00 0.00 C ATOM 762 CG2 ILE A 54 -0.572 18.469 -7.228 1.00 0.00 C ATOM 763 CD1 ILE A 54 2.289 16.701 -8.920 1.00 0.00 C ATOM 0 H ILE A 54 3.191 17.255 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 54 1.806 19.719 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 54 0.784 16.863 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.649 17.998 -9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.067 18.812 -8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.184 17.898 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.006 18.407 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.537 19.512 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.691 16.784 -9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.111 16.633 -8.207 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.671 15.806 -8.848 1.00 0.00 H new ATOM 775 N CYS A 55 0.779 17.480 -4.347 1.00 0.00 N ATOM 776 CA CYS A 55 0.155 17.328 -3.037 1.00 0.00 C ATOM 777 C CYS A 55 0.716 16.114 -2.304 1.00 0.00 C ATOM 778 O CYS A 55 0.060 15.081 -2.171 1.00 0.00 O ATOM 779 CB CYS A 55 -1.361 17.194 -3.185 1.00 0.00 C ATOM 780 SG CYS A 55 -2.237 18.773 -3.283 1.00 0.00 S ATOM 0 H CYS A 55 0.965 16.601 -4.830 1.00 0.00 H new ATOM 0 HA CYS A 55 0.379 18.219 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.578 16.615 -4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.749 16.628 -2.338 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.415 19.702 -3.674 1.00 0.00 H new ATOM 786 N PRO A 56 1.960 16.239 -1.818 1.00 0.00 N ATOM 787 CA PRO A 56 2.638 15.162 -1.091 1.00 0.00 C ATOM 788 C PRO A 56 2.022 14.911 0.281 1.00 0.00 C ATOM 789 O PRO A 56 2.248 13.866 0.893 1.00 0.00 O ATOM 790 CB PRO A 56 4.072 15.678 -0.947 1.00 0.00 C ATOM 791 CG PRO A 56 3.948 17.162 -1.010 1.00 0.00 C ATOM 792 CD PRO A 56 2.800 17.442 -1.940 1.00 0.00 C ATOM 0 HA PRO A 56 2.564 14.209 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.515 15.357 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.711 15.300 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.760 17.580 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.868 17.615 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.258 18.342 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.140 17.592 -2.965 1.00 0.00 H new ATOM 800 N LEU A 57 1.242 15.874 0.759 1.00 0.00 N ATOM 801 CA LEU A 57 0.592 15.757 2.060 1.00 0.00 C ATOM 802 C LEU A 57 -0.538 14.734 2.014 1.00 0.00 C ATOM 803 O LEU A 57 -0.911 14.161 3.037 1.00 0.00 O ATOM 804 CB LEU A 57 0.047 17.116 2.503 1.00 0.00 C ATOM 805 CG LEU A 57 1.084 18.221 2.709 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.413 19.585 2.736 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.868 17.984 3.992 1.00 0.00 C ATOM 0 H LEU A 57 1.044 16.744 0.266 1.00 0.00 H new ATOM 0 HA LEU A 57 1.335 15.417 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.674 17.456 1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.499 16.979 3.436 1.00 0.00 H new ATOM 0 HG LEU A 57 1.781 18.199 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.167 20.358 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.102 19.756 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.307 19.620 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.601 18.780 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.184 17.978 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.381 17.024 3.933 1.00 0.00 H new ATOM 819 N MET A 58 -1.077 14.508 0.820 1.00 0.00 N ATOM 820 CA MET A 58 -2.162 13.550 0.641 1.00 0.00 C ATOM 821 C MET A 58 -1.801 12.200 1.252 1.00 0.00 C ATOM 822 O MET A 58 -2.656 11.515 1.815 1.00 0.00 O ATOM 823 CB MET A 58 -2.482 13.382 -0.846 1.00 0.00 C ATOM 824 CG MET A 58 -3.783 12.642 -1.107 1.00 0.00 C ATOM 825 SD MET A 58 -5.235 13.599 -0.631 1.00 0.00 S ATOM 826 CE MET A 58 -5.198 14.902 -1.860 1.00 0.00 C ATOM 0 H MET A 58 -0.780 14.975 -0.037 1.00 0.00 H new ATOM 0 HA MET A 58 -3.043 13.936 1.153 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.533 14.366 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.665 12.844 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.848 12.393 -2.166 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.777 11.701 -0.558 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.197 15.322 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.510 15.684 -1.540 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.865 14.493 -2.814 1.00 0.00 H new ATOM 836 N ILE A 59 -0.533 11.823 1.136 1.00 0.00 N ATOM 837 CA ILE A 59 -0.061 10.554 1.677 1.00 0.00 C ATOM 838 C ILE A 59 0.444 10.721 3.107 1.00 0.00 C ATOM 839 O ILE A 59 1.080 11.721 3.439 1.00 0.00 O ATOM 840 CB ILE A 59 1.066 9.958 0.813 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.580 9.747 -0.622 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.554 8.646 1.411 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.558 8.758 -0.736 1.00 0.00 C ATOM 0 H ILE A 59 0.186 12.378 0.672 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.911 9.872 1.671 1.00 0.00 H new ATOM 0 HB ILE A 59 1.900 10.659 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.261 10.705 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.414 9.400 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.350 8.237 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.934 8.824 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.728 7.937 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.850 8.659 -1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.237 7.788 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.408 9.113 -0.154 1.00 0.00 H new ATOM 855 N SER A 60 0.157 9.733 3.948 1.00 0.00 N ATOM 856 CA SER A 60 0.580 9.770 5.343 1.00 0.00 C ATOM 857 C SER A 60 1.453 8.565 5.679 1.00 0.00 C ATOM 858 O SER A 60 1.375 7.526 5.022 1.00 0.00 O ATOM 859 CB SER A 60 -0.639 9.804 6.267 1.00 0.00 C ATOM 860 OG SER A 60 -0.965 11.134 6.632 1.00 0.00 O ATOM 0 H SER A 60 -0.367 8.897 3.688 1.00 0.00 H new ATOM 0 HA SER A 60 1.168 10.676 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.491 9.341 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.437 9.217 7.163 1.00 0.00 H new ATOM 0 HG SER A 60 -1.748 11.129 7.221 1.00 0.00 H new ATOM 866 N ARG A 61 2.284 8.711 6.706 1.00 0.00 N ATOM 867 CA ARG A 61 3.173 7.636 7.129 1.00 0.00 C ATOM 868 C ARG A 61 2.394 6.342 7.350 1.00 0.00 C ATOM 869 O ARG A 61 1.452 6.301 8.139 1.00 0.00 O ATOM 870 CB ARG A 61 3.907 8.028 8.413 1.00 0.00 C ATOM 871 CG ARG A 61 4.885 9.176 8.229 1.00 0.00 C ATOM 872 CD ARG A 61 5.447 9.648 9.560 1.00 0.00 C ATOM 873 NE ARG A 61 4.495 10.477 10.294 1.00 0.00 N ATOM 874 CZ ARG A 61 4.800 11.142 11.402 1.00 0.00 C ATOM 875 NH1 ARG A 61 6.027 11.077 11.902 1.00 0.00 N ATOM 876 NH2 ARG A 61 3.879 11.876 12.013 1.00 0.00 N ATOM 0 H ARG A 61 2.360 9.564 7.261 1.00 0.00 H new ATOM 0 HA ARG A 61 3.904 7.469 6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.174 8.304 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.446 7.160 8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.701 8.859 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.384 10.005 7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.717 8.783 10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.362 10.214 9.387 1.00 0.00 H new ATOM 0 HE ARG A 61 3.543 10.549 9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.739 10.515 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.259 11.589 12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.935 11.930 11.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.115 12.386 12.864 1.00 0.00 H new ATOM 890 N ASN A 62 2.795 5.289 6.646 1.00 0.00 N ATOM 891 CA ASN A 62 2.135 3.994 6.764 1.00 0.00 C ATOM 892 C ASN A 62 0.670 4.091 6.351 1.00 0.00 C ATOM 893 O ASN A 62 -0.219 3.609 7.055 1.00 0.00 O ATOM 894 CB ASN A 62 2.238 3.475 8.199 1.00 0.00 C ATOM 895 CG ASN A 62 3.640 3.610 8.764 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.926 4.529 9.531 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.521 2.692 8.384 1.00 0.00 N ATOM 0 H ASN A 62 3.574 5.307 5.988 1.00 0.00 H new ATOM 0 HA ASN A 62 2.638 3.296 6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.540 4.023 8.832 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.938 2.428 8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.480 2.731 8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.239 1.948 7.746 1.00 0.00 H new ATOM 904 N HIS A 63 0.424 4.717 5.204 1.00 0.00 N ATOM 905 CA HIS A 63 -0.934 4.876 4.696 1.00 0.00 C ATOM 906 C HIS A 63 -1.657 3.533 4.647 1.00 0.00 C ATOM 907 O HIS A 63 -2.878 3.470 4.789 1.00 0.00 O ATOM 908 CB HIS A 63 -0.909 5.506 3.303 1.00 0.00 C ATOM 909 CG HIS A 63 -2.169 6.237 2.953 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.277 7.611 2.992 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.378 5.777 2.555 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.499 7.965 2.634 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.187 6.870 2.364 1.00 0.00 N ATOM 0 H HIS A 63 1.147 5.122 4.609 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.475 5.535 5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.069 6.197 3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.734 4.725 2.563 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.655 4.743 2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.872 8.977 2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.161 6.841 2.063 1.00 0.00 H new ATOM 921 N CYS A 64 -0.895 2.464 4.444 1.00 0.00 N ATOM 922 CA CYS A 64 -1.463 1.122 4.374 1.00 0.00 C ATOM 923 C CYS A 64 -0.382 0.063 4.563 1.00 0.00 C ATOM 924 O CYS A 64 0.809 0.351 4.449 1.00 0.00 O ATOM 925 CB CYS A 64 -2.170 0.914 3.034 1.00 0.00 C ATOM 926 SG CYS A 64 -1.051 0.807 1.618 1.00 0.00 S ATOM 0 H CYS A 64 0.117 2.500 4.325 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.190 1.020 5.179 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.762 0.000 3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.867 1.736 2.872 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.737 0.566 0.540 1.00 0.00 H new ATOM 932 N VAL A 65 -0.806 -1.162 4.854 1.00 0.00 N ATOM 933 CA VAL A 65 0.126 -2.265 5.059 1.00 0.00 C ATOM 934 C VAL A 65 -0.446 -3.574 4.528 1.00 0.00 C ATOM 935 O VAL A 65 -1.413 -4.109 5.072 1.00 0.00 O ATOM 936 CB VAL A 65 0.472 -2.437 6.550 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.437 -3.596 6.744 1.00 0.00 C ATOM 938 CG2 VAL A 65 1.053 -1.148 7.114 1.00 0.00 C ATOM 0 H VAL A 65 -1.789 -1.416 4.953 1.00 0.00 H new ATOM 0 HA VAL A 65 1.034 -2.019 4.508 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.445 -2.664 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.670 -3.702 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.979 -4.516 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.355 -3.402 6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.292 -1.287 8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.960 -0.888 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.324 -0.344 7.010 1.00 0.00 H new ATOM 948 N LEU A 66 0.157 -4.086 3.461 1.00 0.00 N ATOM 949 CA LEU A 66 -0.292 -5.335 2.854 1.00 0.00 C ATOM 950 C LEU A 66 0.401 -6.533 3.497 1.00 0.00 C ATOM 951 O LEU A 66 1.564 -6.453 3.891 1.00 0.00 O ATOM 952 CB LEU A 66 -0.018 -5.321 1.349 1.00 0.00 C ATOM 953 CG LEU A 66 -0.950 -4.451 0.506 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.253 -3.163 0.096 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.428 -5.215 -0.721 1.00 0.00 C ATOM 0 H LEU A 66 0.958 -3.656 2.998 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.365 -5.426 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.006 -4.982 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.076 -6.345 0.980 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.820 -4.193 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.932 -2.557 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.039 -2.607 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.635 -3.400 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.091 -4.580 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.569 -5.504 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.967 -6.109 -0.406 1.00 0.00 H new ATOM 967 N LYS A 67 -0.322 -7.643 3.599 1.00 0.00 N ATOM 968 CA LYS A 67 0.222 -8.859 4.191 1.00 0.00 C ATOM 969 C LYS A 67 -0.735 -10.032 4.002 1.00 0.00 C ATOM 970 O LYS A 67 -1.941 -9.841 3.847 1.00 0.00 O ATOM 971 CB LYS A 67 0.497 -8.647 5.681 1.00 0.00 C ATOM 972 CG LYS A 67 -0.746 -8.316 6.488 1.00 0.00 C ATOM 973 CD LYS A 67 -0.529 -7.100 7.374 1.00 0.00 C ATOM 974 CE LYS A 67 -0.026 -7.498 8.753 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.993 -7.129 9.824 1.00 0.00 N ATOM 0 H LYS A 67 -1.287 -7.725 3.279 1.00 0.00 H new ATOM 0 HA LYS A 67 1.159 -9.092 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.956 -9.548 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.221 -7.840 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.581 -8.130 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.019 -9.172 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.189 -6.429 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.464 -6.548 7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.151 -8.573 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.931 -7.012 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.614 -7.417 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.143 -6.100 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.898 -7.612 9.656 1.00 0.00 H new ATOM 989 N GLN A 68 -0.189 -11.243 4.017 1.00 0.00 N ATOM 990 CA GLN A 68 -0.996 -12.446 3.848 1.00 0.00 C ATOM 991 C GLN A 68 -1.419 -13.012 5.199 1.00 0.00 C ATOM 992 O GLN A 68 -0.583 -13.436 5.995 1.00 0.00 O ATOM 993 CB GLN A 68 -0.217 -13.502 3.061 1.00 0.00 C ATOM 994 CG GLN A 68 0.127 -13.073 1.643 1.00 0.00 C ATOM 995 CD GLN A 68 0.850 -14.155 0.866 1.00 0.00 C ATOM 996 OE1 GLN A 68 1.941 -14.583 1.243 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.244 -14.604 -0.227 1.00 0.00 N ATOM 0 H GLN A 68 0.808 -11.418 4.144 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.893 -12.176 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.704 -13.735 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.803 -14.420 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.789 -12.803 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.749 -12.179 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.660 -14.221 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.683 -15.332 -0.791 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.724 -13.014 5.451 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.259 -13.528 6.708 1.00 0.00 C ATOM 1008 C ASN A 69 -2.726 -14.928 6.994 1.00 0.00 C ATOM 1009 O ASN A 69 -2.251 -15.633 6.103 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.788 -13.551 6.664 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.320 -14.203 5.403 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.804 -15.227 4.955 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.359 -13.612 4.823 1.00 0.00 N ATOM 0 H ASN A 69 -3.430 -12.666 4.803 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.935 -12.865 7.510 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.166 -14.088 7.534 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.166 -12.531 6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.760 -14.006 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.755 -12.764 5.229 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.806 -15.343 8.267 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.338 -16.663 8.700 1.00 0.00 C ATOM 1022 C PRO A 70 -2.862 -17.785 7.810 1.00 0.00 C ATOM 1023 O PRO A 70 -2.233 -18.835 7.686 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.906 -16.794 10.115 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.049 -15.391 10.598 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.360 -14.556 9.381 1.00 0.00 C ATOM 0 HA PRO A 70 -1.252 -16.746 8.652 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.866 -17.311 10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.239 -17.368 10.758 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.846 -15.313 11.337 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.133 -15.050 11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.433 -14.399 9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.899 -13.570 9.443 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.017 -17.554 7.193 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.625 -18.547 6.315 1.00 0.00 C ATOM 1036 C GLU A 71 -3.775 -18.761 5.065 1.00 0.00 C ATOM 1037 O GLU A 71 -3.618 -19.886 4.593 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.037 -18.112 5.917 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.865 -17.594 7.080 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.354 -17.625 6.795 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.818 -18.597 6.166 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.055 -16.674 7.203 1.00 0.00 O ATOM 0 H GLU A 71 -4.550 -16.689 7.285 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.683 -19.489 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.968 -17.334 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.554 -18.957 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.656 -18.194 7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.564 -16.572 7.309 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.229 -17.671 4.534 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.403 -17.759 3.345 1.00 0.00 C ATOM 1051 C GLY A 72 -2.953 -16.939 2.195 1.00 0.00 C ATOM 1052 O GLY A 72 -2.655 -17.212 1.032 1.00 0.00 O ATOM 0 H GLY A 72 -3.344 -16.729 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.395 -17.418 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.323 -18.802 3.038 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.757 -15.932 2.520 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.352 -15.071 1.504 1.00 0.00 C ATOM 1058 C GLN A 73 -3.996 -13.609 1.754 1.00 0.00 C ATOM 1059 O GLN A 73 -3.917 -13.167 2.900 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.871 -15.243 1.485 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.588 -14.226 0.611 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.206 -14.342 -0.852 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.788 -15.403 -1.314 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.349 -13.247 -1.589 1.00 0.00 N ATOM 0 H GLN A 73 -4.011 -15.692 3.478 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.949 -15.363 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.110 -16.246 1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.250 -15.165 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.665 -14.360 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.357 -13.221 0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.699 -12.388 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.109 -13.264 -2.580 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.783 -12.865 0.675 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.435 -11.452 0.778 1.00 0.00 C ATOM 1075 C TRP A 74 -4.603 -10.643 1.333 1.00 0.00 C ATOM 1076 O TRP A 74 -5.764 -10.918 1.026 1.00 0.00 O ATOM 1077 CB TRP A 74 -3.025 -10.906 -0.591 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.603 -11.213 -0.951 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -1.170 -12.092 -1.902 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.428 -10.644 -0.363 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.203 -12.104 -1.941 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.682 -11.223 -1.008 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.206 -9.700 0.642 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 1.993 -10.889 -0.677 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.095 -9.369 0.970 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.181 -9.962 0.312 1.00 0.00 C ATOM 0 H TRP A 74 -3.845 -13.216 -0.281 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.594 -11.359 1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.683 -11.323 -1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.170 -9.826 -0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.813 -12.690 -2.531 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.773 -12.676 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.037 -9.237 1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.831 -11.345 -1.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.278 -8.641 1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.186 -9.682 0.591 1.00 0.00 H new ATOM 1097 N THR A 75 -4.289 -9.644 2.151 1.00 0.00 N ATOM 1098 CA THR A 75 -5.312 -8.796 2.750 1.00 0.00 C ATOM 1099 C THR A 75 -4.775 -7.396 3.023 1.00 0.00 C ATOM 1100 O THR A 75 -3.782 -7.230 3.732 1.00 0.00 O ATOM 1101 CB THR A 75 -5.841 -9.397 4.066 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.754 -9.638 4.966 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.588 -10.696 3.806 1.00 0.00 C ATOM 0 H THR A 75 -3.334 -9.402 2.414 1.00 0.00 H new ATOM 0 HA THR A 75 -6.131 -8.735 2.033 1.00 0.00 H new ATOM 0 HB THR A 75 -6.532 -8.683 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.072 -8.944 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.952 -11.102 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.432 -10.504 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.916 -11.415 3.338 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.437 -6.392 2.457 1.00 0.00 N ATOM 1112 CA ILE A 76 -5.027 -5.006 2.643 1.00 0.00 C ATOM 1113 C ILE A 76 -5.543 -4.452 3.966 1.00 0.00 C ATOM 1114 O ILE A 76 -6.736 -4.529 4.259 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.528 -4.112 1.493 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -5.059 -2.670 1.698 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -7.046 -4.172 1.399 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.992 -1.869 0.416 1.00 0.00 C ATOM 0 H ILE A 76 -6.259 -6.513 1.866 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.937 -4.998 2.650 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.110 -4.481 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.735 -2.172 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.073 -2.680 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.385 -3.535 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.359 -5.199 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.483 -3.824 2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.652 -0.857 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.294 -2.344 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.981 -1.828 -0.040 1.00 0.00 H new ATOM 1130 N MET A 77 -4.637 -3.892 4.761 1.00 0.00 N ATOM 1131 CA MET A 77 -5.002 -3.321 6.052 1.00 0.00 C ATOM 1132 C MET A 77 -4.491 -1.889 6.178 1.00 0.00 C ATOM 1133 O MET A 77 -3.368 -1.583 5.777 1.00 0.00 O ATOM 1134 CB MET A 77 -4.440 -4.177 7.189 1.00 0.00 C ATOM 1135 CG MET A 77 -4.899 -3.732 8.568 1.00 0.00 C ATOM 1136 SD MET A 77 -3.610 -3.903 9.817 1.00 0.00 S ATOM 1137 CE MET A 77 -2.587 -2.481 9.445 1.00 0.00 C ATOM 0 H MET A 77 -3.645 -3.822 4.534 1.00 0.00 H new ATOM 0 HA MET A 77 -6.090 -3.307 6.120 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.737 -5.214 7.033 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.351 -4.148 7.151 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.219 -2.691 8.522 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.768 -4.320 8.865 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.569 -2.665 9.789 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.581 -2.309 8.369 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.987 -1.602 9.951 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.323 -1.016 6.736 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.954 0.383 6.915 1.00 0.00 C ATOM 1149 C ASP A 78 -4.328 0.609 8.287 1.00 0.00 C ATOM 1150 O ASP A 78 -4.896 0.230 9.310 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.181 1.281 6.747 1.00 0.00 C ATOM 1152 CG ASP A 78 -5.885 2.733 7.067 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.705 3.132 6.974 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -6.832 3.470 7.413 1.00 0.00 O ATOM 0 H ASP A 78 -6.257 -1.253 7.072 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.218 0.639 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.546 1.205 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.980 0.924 7.397 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.152 1.229 8.300 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.447 1.504 9.547 1.00 0.00 C ATOM 1161 C ASN A 79 -2.952 2.794 10.185 1.00 0.00 C ATOM 1162 O ASN A 79 -2.175 3.706 10.468 1.00 0.00 O ATOM 1163 CB ASN A 79 -0.941 1.603 9.294 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.123 1.133 10.482 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -0.583 1.180 11.623 1.00 0.00 O ATOM 1166 ND2 ASN A 79 1.096 0.678 10.218 1.00 0.00 N ATOM 0 H ASN A 79 -2.668 1.550 7.462 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.641 0.680 10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.682 1.006 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.681 2.636 9.063 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.693 0.349 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.436 0.658 9.256 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.260 2.864 10.409 1.00 0.00 N ATOM 1174 CA LYS A 80 -4.871 4.040 11.016 1.00 0.00 C ATOM 1175 C LYS A 80 -4.462 5.309 10.274 1.00 0.00 C ATOM 1176 O LYS A 80 -3.791 6.177 10.833 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.471 4.147 12.489 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.299 3.266 13.409 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.331 3.815 14.826 1.00 0.00 C ATOM 1180 CE LYS A 80 -6.036 2.861 15.777 1.00 0.00 C ATOM 1181 NZ LYS A 80 -7.435 2.583 15.348 1.00 0.00 N ATOM 0 H LYS A 80 -4.918 2.119 10.179 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.953 3.932 10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.420 3.879 12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.568 5.185 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.316 3.190 13.024 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.886 2.257 13.418 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.313 3.990 15.173 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.840 4.779 14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.480 1.925 15.831 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.042 3.287 16.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.929 2.055 16.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.930 3.481 15.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.425 2.018 14.475 1.00 0.00 H new ATOM 1195 N SER A 81 -4.872 5.411 9.014 1.00 0.00 N ATOM 1196 CA SER A 81 -4.546 6.572 8.195 1.00 0.00 C ATOM 1197 C SER A 81 -5.484 7.736 8.505 1.00 0.00 C ATOM 1198 O SER A 81 -6.338 7.642 9.387 1.00 0.00 O ATOM 1199 CB SER A 81 -4.630 6.216 6.710 1.00 0.00 C ATOM 1200 OG SER A 81 -5.899 5.672 6.387 1.00 0.00 O ATOM 0 H SER A 81 -5.431 4.703 8.538 1.00 0.00 H new ATOM 0 HA SER A 81 -3.526 6.877 8.430 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.449 7.107 6.108 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.849 5.498 6.460 1.00 0.00 H new ATOM 0 HG SER A 81 -5.928 5.454 5.432 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.318 8.832 7.773 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.149 10.015 7.968 1.00 0.00 C ATOM 1208 C LEU A 82 -7.168 10.156 6.842 1.00 0.00 C ATOM 1209 O LEU A 82 -8.374 10.075 7.070 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.276 11.269 8.042 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.020 12.598 8.170 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.261 12.936 9.633 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.243 13.713 7.484 1.00 0.00 C ATOM 0 H LEU A 82 -4.616 8.926 7.039 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.688 9.899 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.603 11.169 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.655 11.308 7.147 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.987 12.500 7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.792 13.885 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.859 12.150 10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.305 13.015 10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.788 14.652 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.262 13.811 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.123 13.476 6.427 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.673 10.367 5.626 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.541 10.517 4.464 1.00 0.00 C ATOM 1227 C ASN A 83 -8.446 9.300 4.299 1.00 0.00 C ATOM 1228 O ASN A 83 -9.607 9.425 3.913 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.704 10.720 3.199 1.00 0.00 C ATOM 1230 CG ASN A 83 -5.559 11.690 3.413 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -4.451 11.291 3.774 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -5.821 12.973 3.191 1.00 0.00 N ATOM 0 H ASN A 83 -5.676 10.438 5.420 1.00 0.00 H new ATOM 0 HA ASN A 83 -8.168 11.394 4.622 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.306 9.759 2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.345 11.089 2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.090 13.672 3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.754 13.259 2.893 1.00 0.00 H new ATOM 1239 N GLY A 84 -7.904 8.122 4.595 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.676 6.899 4.474 1.00 0.00 C ATOM 1241 C GLY A 84 -8.219 6.037 3.314 1.00 0.00 C ATOM 1242 O GLY A 84 -7.572 6.524 2.387 1.00 0.00 O ATOM 0 H GLY A 84 -6.945 7.993 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.596 6.329 5.400 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.729 7.149 4.344 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.553 4.752 3.366 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.172 3.819 2.312 1.00 0.00 C ATOM 1248 C VAL A 85 -9.388 3.366 1.513 1.00 0.00 C ATOM 1249 O VAL A 85 -10.439 3.065 2.079 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.460 2.581 2.889 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -6.917 1.707 1.769 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.347 3.000 3.837 1.00 0.00 C ATOM 0 H VAL A 85 -9.087 4.333 4.127 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.485 4.350 1.653 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.186 1.996 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.417 0.837 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.739 1.378 1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.205 2.279 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.855 2.113 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.620 3.607 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.768 3.581 4.658 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.239 3.321 0.194 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.326 2.904 -0.685 1.00 0.00 C ATOM 1264 C TRP A 86 -9.994 1.584 -1.372 1.00 0.00 C ATOM 1265 O TRP A 86 -8.834 1.309 -1.683 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.605 3.983 -1.732 1.00 0.00 C ATOM 1267 CG TRP A 86 -10.872 5.333 -1.138 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -9.944 6.272 -0.787 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.151 5.893 -0.824 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.570 7.382 -0.273 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -11.924 7.175 -0.286 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.467 5.438 -0.946 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -12.964 8.003 0.129 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.498 6.261 -0.534 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.242 7.532 -0.002 1.00 0.00 C ATOM 0 H TRP A 86 -8.376 3.568 -0.291 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.218 2.760 -0.076 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.752 4.053 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.463 3.682 -2.333 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.876 6.159 -0.897 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.102 8.224 0.064 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.675 4.460 -1.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.769 8.983 0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.518 5.919 -0.624 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.069 8.152 0.311 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.018 0.771 -1.608 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.835 -0.521 -2.260 1.00 0.00 C ATOM 1288 C LEU A 87 -12.022 -0.850 -3.159 1.00 0.00 C ATOM 1289 O LEU A 87 -13.092 -1.221 -2.680 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.653 -1.621 -1.213 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.407 -3.029 -1.756 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.169 -3.053 -2.638 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.268 -4.024 -0.613 1.00 0.00 C ATOM 0 H LEU A 87 -11.984 0.984 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.939 -0.465 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.815 -1.349 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.542 -1.646 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.265 -3.319 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.010 -4.063 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.306 -2.370 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.301 -2.743 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.093 -5.021 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.428 -3.737 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.183 -4.028 -0.021 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.823 -0.713 -4.466 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.877 -0.998 -5.433 1.00 0.00 C ATOM 1307 C ASN A 88 -14.103 -0.127 -5.175 1.00 0.00 C ATOM 1308 O ASN A 88 -15.224 -0.627 -5.084 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.267 -2.476 -5.374 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.304 -3.359 -6.144 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.656 -2.913 -7.090 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.206 -4.621 -5.740 1.00 0.00 N ATOM 0 H ASN A 88 -10.942 -0.407 -4.880 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.494 -0.770 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.299 -2.799 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.272 -2.600 -5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.574 -5.262 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.763 -4.948 -4.950 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.880 1.178 -5.057 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.966 2.119 -4.809 1.00 0.00 C ATOM 1321 C ARG A 89 -15.645 1.825 -3.474 1.00 0.00 C ATOM 1322 O ARG A 89 -16.871 1.850 -3.371 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.993 2.056 -5.940 1.00 0.00 C ATOM 1324 CG ARG A 89 -15.376 2.118 -7.328 1.00 0.00 C ATOM 1325 CD ARG A 89 -14.589 3.404 -7.530 1.00 0.00 C ATOM 1326 NE ARG A 89 -15.119 4.201 -8.634 1.00 0.00 N ATOM 1327 CZ ARG A 89 -15.036 3.838 -9.909 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -14.448 2.697 -10.240 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -15.542 4.617 -10.856 1.00 0.00 N ATOM 0 H ARG A 89 -12.958 1.608 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.542 3.122 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.566 1.134 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.696 2.881 -5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.719 1.261 -7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.162 2.049 -8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.614 3.993 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.544 3.163 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.578 5.085 -8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.058 2.095 -9.515 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.386 2.421 -11.220 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -15.995 5.496 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.478 4.337 -11.835 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.838 1.547 -2.455 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.361 1.251 -1.127 1.00 0.00 C ATOM 1345 C ALA A 90 -14.432 1.781 -0.040 1.00 0.00 C ATOM 1346 O ALA A 90 -13.225 1.540 -0.070 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.566 -0.248 -0.963 1.00 0.00 C ATOM 0 H ALA A 90 -13.821 1.521 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.323 1.753 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.957 -0.455 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.275 -0.602 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.614 -0.762 -1.093 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.002 2.505 0.918 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.224 3.072 2.013 1.00 0.00 C ATOM 1355 C ARG A 91 -13.872 2.000 3.041 1.00 0.00 C ATOM 1356 O ARG A 91 -14.751 1.318 3.569 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.001 4.204 2.687 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.224 4.904 3.789 1.00 0.00 C ATOM 1359 CD ARG A 91 -13.447 6.096 3.252 1.00 0.00 C ATOM 1360 NE ARG A 91 -13.105 7.047 4.306 1.00 0.00 N ATOM 1361 CZ ARG A 91 -12.197 6.808 5.246 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -11.543 5.655 5.261 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -11.941 7.723 6.172 1.00 0.00 N ATOM 0 H ARG A 91 -16.000 2.713 0.958 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.299 3.473 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.285 4.937 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -15.924 3.801 3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.912 5.237 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.535 4.199 4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.534 5.746 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.039 6.600 2.488 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.590 7.944 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.737 4.950 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.846 5.473 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.442 8.612 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.244 7.538 6.893 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.581 1.857 3.319 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.112 0.868 4.283 1.00 0.00 C ATOM 1379 C LEU A 92 -11.970 1.485 5.671 1.00 0.00 C ATOM 1380 O LEU A 92 -12.008 2.705 5.824 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.772 0.283 3.833 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.733 -0.293 2.418 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.300 -0.585 1.999 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.582 -1.553 2.331 1.00 0.00 C ATOM 0 H LEU A 92 -11.841 2.413 2.891 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.851 0.069 4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.014 1.063 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.489 -0.504 4.532 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.146 0.448 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.293 -0.994 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.719 0.337 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.860 -1.307 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.542 -1.949 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.198 -2.299 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.614 -1.315 2.587 1.00 0.00 H new ATOM 1396 N GLU A 93 -11.804 0.633 6.678 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.655 1.096 8.053 1.00 0.00 C ATOM 1398 C GLU A 93 -10.232 0.865 8.553 1.00 0.00 C ATOM 1399 O GLU A 93 -9.479 0.057 8.009 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.651 0.380 8.967 1.00 0.00 C ATOM 1401 CG GLU A 93 -13.988 1.092 9.086 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.119 0.151 9.455 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.268 -0.889 8.781 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -15.854 0.456 10.417 1.00 0.00 O ATOM 0 H GLU A 93 -11.769 -0.380 6.568 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.860 2.166 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.818 -0.628 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.213 0.279 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.912 1.876 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.221 1.581 8.140 1.00 0.00 H new ATOM 1411 N PRO A 94 -9.853 1.590 9.616 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.519 1.483 10.214 1.00 0.00 C ATOM 1413 C PRO A 94 -8.309 0.150 10.926 1.00 0.00 C ATOM 1414 O PRO A 94 -9.135 -0.268 11.738 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.487 2.637 11.219 1.00 0.00 C ATOM 1416 CG PRO A 94 -9.916 2.881 11.562 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.699 2.572 10.316 1.00 0.00 C ATOM 0 HA PRO A 94 -7.730 1.532 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.907 2.375 12.104 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.026 3.525 10.787 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.233 2.246 12.389 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.072 3.914 11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.681 2.162 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.862 3.465 9.712 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.199 -0.511 10.617 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.880 -1.797 11.228 1.00 0.00 C ATOM 1427 C LEU A 95 -7.934 -2.842 10.879 1.00 0.00 C ATOM 1428 O LEU A 95 -8.433 -3.551 11.754 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.774 -1.649 12.747 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.029 -0.412 13.251 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -5.943 -0.423 14.769 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.639 -0.339 12.636 1.00 0.00 C ATOM 0 H LEU A 95 -6.505 -0.178 9.948 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.920 -2.131 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.782 -1.635 13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.278 -2.534 13.144 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.586 0.474 12.946 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.410 0.465 15.110 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.948 -0.426 15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.409 -1.315 15.097 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.124 0.547 13.006 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.073 -1.229 12.910 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.724 -0.283 11.551 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.268 -2.934 9.596 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.262 -3.894 9.132 1.00 0.00 C ATOM 1446 C ARG A 96 -8.658 -4.852 8.110 1.00 0.00 C ATOM 1447 O ARG A 96 -7.640 -4.550 7.486 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.459 -3.164 8.518 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.778 -3.897 8.700 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.472 -3.481 9.988 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.510 -4.431 10.381 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.067 -4.453 11.587 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -13.688 -3.581 12.512 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -15.005 -5.348 11.870 1.00 0.00 N ATOM 0 H ARG A 96 -7.865 -2.355 8.859 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.600 -4.473 9.991 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.539 -2.174 8.966 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.278 -3.018 7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.430 -3.692 7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.600 -4.972 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.735 -3.398 10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.914 -2.493 9.859 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.824 -5.114 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.967 -2.892 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.117 -3.600 13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.299 -6.020 11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.432 -5.364 12.796 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.290 -6.009 7.945 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.816 -7.012 6.998 1.00 0.00 C ATOM 1470 C VAL A 97 -9.734 -7.100 5.784 1.00 0.00 C ATOM 1471 O VAL A 97 -10.943 -7.285 5.919 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.717 -8.401 7.655 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.076 -9.398 6.702 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.937 -8.320 8.958 1.00 0.00 C ATOM 0 H VAL A 97 -10.132 -6.276 8.455 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.823 -6.699 6.676 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.725 -8.748 7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.014 -10.374 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.680 -9.477 5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.074 -9.059 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.877 -9.311 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.931 -7.951 8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.443 -7.640 9.643 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.151 -6.965 4.598 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.917 -7.028 3.359 1.00 0.00 C ATOM 1486 C TYR A 98 -9.185 -7.857 2.308 1.00 0.00 C ATOM 1487 O TYR A 98 -8.108 -7.483 1.844 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.175 -5.619 2.823 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.182 -4.837 3.637 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.542 -5.102 3.536 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.773 -3.832 4.505 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.465 -4.390 4.276 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.689 -3.116 5.250 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.034 -3.398 5.133 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.950 -2.686 5.872 1.00 0.00 O ATOM 0 H TYR A 98 -8.151 -6.811 4.469 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.871 -7.508 3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.234 -5.070 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.528 -5.690 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.883 -5.878 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.721 -3.607 4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.519 -4.608 4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.354 -2.339 5.921 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.482 -2.026 6.425 1.00 0.00 H new ATOM 1505 N SER A 99 -9.780 -8.987 1.937 1.00 0.00 N ATOM 1506 CA SER A 99 -9.185 -9.873 0.942 1.00 0.00 C ATOM 1507 C SER A 99 -9.140 -9.201 -0.426 1.00 0.00 C ATOM 1508 O SER A 99 -10.161 -8.739 -0.937 1.00 0.00 O ATOM 1509 CB SER A 99 -9.975 -11.180 0.856 1.00 0.00 C ATOM 1510 OG SER A 99 -11.313 -10.996 1.283 1.00 0.00 O ATOM 0 H SER A 99 -10.673 -9.310 2.310 1.00 0.00 H new ATOM 0 HA SER A 99 -8.164 -10.094 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.965 -11.548 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.495 -11.940 1.472 1.00 0.00 H new ATOM 0 HG SER A 99 -11.797 -11.845 1.217 1.00 0.00 H new ATOM 1516 N ILE A 100 -7.949 -9.150 -1.014 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.770 -8.535 -2.324 1.00 0.00 C ATOM 1518 C ILE A 100 -7.438 -9.583 -3.382 1.00 0.00 C ATOM 1519 O ILE A 100 -6.813 -10.602 -3.086 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.655 -7.474 -2.300 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.308 -8.125 -1.980 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.979 -6.388 -1.286 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.153 -7.148 -1.965 1.00 0.00 C ATOM 0 H ILE A 100 -7.094 -9.527 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.714 -8.052 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.590 -7.015 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.372 -8.614 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.106 -8.903 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.181 -5.645 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.920 -5.908 -1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.068 -6.831 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.230 -7.679 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.063 -6.677 -2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.333 -6.383 -1.209 1.00 0.00 H new ATOM 1535 N HIS A 101 -7.857 -9.323 -4.616 1.00 0.00 N ATOM 1536 CA HIS A 101 -7.602 -10.243 -5.719 1.00 0.00 C ATOM 1537 C HIS A 101 -7.411 -9.481 -7.028 1.00 0.00 C ATOM 1538 O HIS A 101 -7.648 -8.275 -7.094 1.00 0.00 O ATOM 1539 CB HIS A 101 -8.754 -11.239 -5.858 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.102 -11.934 -4.578 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -8.620 -13.182 -4.244 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -9.889 -11.547 -3.547 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.097 -13.534 -3.063 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -9.869 -12.559 -2.618 1.00 0.00 N ATOM 0 H HIS A 101 -8.374 -8.484 -4.877 1.00 0.00 H new ATOM 0 HA HIS A 101 -6.685 -10.790 -5.499 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.635 -10.714 -6.228 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.490 -11.985 -6.607 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -7.993 -13.745 -4.819 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.431 -10.616 -3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.891 -14.461 -2.549 1.00 0.00 H new ATOM 1552 N GLN A 102 -6.982 -10.194 -8.064 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.758 -9.584 -9.370 1.00 0.00 C ATOM 1554 C GLN A 102 -7.988 -8.804 -9.824 1.00 0.00 C ATOM 1555 O GLN A 102 -9.061 -9.374 -10.013 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.409 -10.656 -10.403 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.316 -10.123 -11.824 1.00 0.00 C ATOM 1558 CD GLN A 102 -5.239 -10.814 -12.637 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.119 -10.130 -12.840 1.00 0.00 O flip ATOM 1560 NE2 GLN A 102 -5.411 -11.951 -13.079 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.783 -11.194 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 102 -5.922 -8.890 -9.281 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.458 -11.114 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.163 -11.443 -10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.278 -10.251 -12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.113 -9.053 -11.794 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.287 -12.441 -12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -4.677 -12.403 -13.625 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.823 -7.496 -9.996 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.927 -6.659 -10.427 1.00 0.00 C ATOM 1571 C GLY A 103 -9.369 -5.685 -9.353 1.00 0.00 C ATOM 1572 O GLY A 103 -10.486 -5.169 -9.395 1.00 0.00 O ATOM 0 H GLY A 103 -6.944 -7.001 -9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.632 -6.104 -11.318 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.769 -7.291 -10.709 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.492 -5.434 -8.387 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.798 -4.515 -7.297 1.00 0.00 C ATOM 1578 C ASP A 104 -8.193 -3.140 -7.559 1.00 0.00 C ATOM 1579 O ASP A 104 -7.316 -2.988 -8.410 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.275 -5.072 -5.971 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.319 -5.886 -5.233 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -10.054 -6.649 -5.895 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.400 -5.762 -3.993 1.00 0.00 O ATOM 0 H ASP A 104 -7.564 -5.854 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.881 -4.409 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.401 -5.695 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.947 -4.247 -5.338 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.668 -2.140 -6.824 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.177 -0.776 -6.980 1.00 0.00 C ATOM 1590 C TYR A 105 -7.971 -0.113 -5.622 1.00 0.00 C ATOM 1591 O TYR A 105 -8.929 0.142 -4.892 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.155 0.047 -7.819 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.725 0.216 -9.259 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.613 -0.880 -10.105 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.431 1.473 -9.774 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.219 -0.731 -11.420 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -8.038 1.632 -11.089 1.00 0.00 C ATOM 1598 CZ TYR A 105 -7.933 0.527 -11.908 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.542 0.681 -13.218 1.00 0.00 O ATOM 0 H TYR A 105 -9.393 -2.249 -6.114 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.216 -0.819 -7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.134 -0.432 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.271 1.031 -7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.838 -1.866 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.511 2.340 -9.135 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.135 -1.595 -12.063 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.814 2.616 -11.474 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.380 1.630 -13.402 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.714 0.164 -5.291 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.382 0.799 -4.022 1.00 0.00 C ATOM 1611 C ILE A 106 -6.101 2.286 -4.208 1.00 0.00 C ATOM 1612 O ILE A 106 -5.289 2.673 -5.049 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.157 0.136 -3.364 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.423 -1.352 -3.126 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.815 0.834 -2.056 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -5.008 -2.233 -4.284 1.00 0.00 C ATOM 0 H ILE A 106 -5.910 -0.041 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.247 0.673 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.305 0.231 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.890 -1.669 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.486 -1.496 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.947 0.354 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.589 1.882 -2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.663 0.767 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.226 -3.274 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.560 -1.943 -5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.939 -2.118 -4.464 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.776 3.114 -3.418 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.597 4.560 -3.496 1.00 0.00 C ATOM 1630 C GLN A 107 -6.062 5.113 -2.179 1.00 0.00 C ATOM 1631 O GLN A 107 -6.793 5.214 -1.193 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.921 5.240 -3.848 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.756 6.490 -4.697 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.082 7.072 -5.144 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.528 6.840 -6.268 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.722 7.833 -4.263 1.00 0.00 N ATOM 0 H GLN A 107 -7.451 2.809 -2.717 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.869 4.770 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.554 4.530 -4.380 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.441 5.503 -2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.207 7.241 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.154 6.252 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.316 7.999 -3.342 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.620 8.251 -4.507 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.783 5.471 -2.171 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.149 6.016 -0.975 1.00 0.00 C ATOM 1647 C LEU A 108 -4.472 7.497 -0.813 1.00 0.00 C ATOM 1648 O LEU A 108 -3.624 8.358 -1.044 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.633 5.817 -1.042 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.149 4.370 -1.127 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.630 4.311 -1.077 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.753 3.539 -0.005 1.00 0.00 C ATOM 0 H LEU A 108 -4.165 5.394 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.542 5.481 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.254 6.357 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.187 6.277 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.477 3.953 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.304 3.273 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.216 4.872 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.280 4.746 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.397 2.511 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.455 3.956 0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.840 3.554 -0.086 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.707 7.788 -0.413 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.120 9.166 -0.224 1.00 0.00 C ATOM 1666 C GLY A 109 -7.410 9.489 -0.953 1.00 0.00 C ATOM 1667 O GLY A 109 -8.262 8.620 -1.136 1.00 0.00 O ATOM 0 H GLY A 109 -6.428 7.094 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.249 9.361 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.331 9.830 -0.576 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.555 10.743 -1.369 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.750 11.180 -2.081 1.00 0.00 C ATOM 1673 C VAL A 110 -8.407 12.211 -3.150 1.00 0.00 C ATOM 1674 O VAL A 110 -7.392 12.904 -3.076 1.00 0.00 O ATOM 1675 CB VAL A 110 -9.789 11.782 -1.116 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.513 10.682 -0.356 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.122 12.755 -0.156 1.00 0.00 C ATOM 0 H VAL A 110 -6.859 11.475 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.176 10.297 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.527 12.332 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.243 11.127 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.024 10.028 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.792 10.102 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.870 13.171 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.362 12.231 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.655 13.561 -0.721 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.272 12.316 -4.169 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.083 13.261 -5.274 1.00 0.00 C ATOM 1689 C PRO A 111 -9.271 14.710 -4.836 1.00 0.00 C ATOM 1690 O PRO A 111 -10.174 15.022 -4.057 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.170 12.860 -6.274 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.224 12.209 -5.447 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.502 11.521 -4.322 1.00 0.00 C ATOM 0 HA PRO A 111 -8.073 13.215 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.562 13.729 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.781 12.177 -7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.930 12.946 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.797 11.494 -6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.094 11.517 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.281 10.481 -4.563 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.415 15.591 -5.340 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.488 17.008 -5.001 1.00 0.00 C ATOM 1703 C LEU A 112 -9.598 17.700 -5.786 1.00 0.00 C ATOM 1704 O LEU A 112 -10.324 17.060 -6.546 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.147 17.689 -5.284 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.945 17.154 -4.506 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -4.654 17.429 -5.262 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -5.892 17.769 -3.115 1.00 0.00 C ATOM 0 H LEU A 112 -7.662 15.350 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.715 17.091 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.934 17.599 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.250 18.753 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.057 16.075 -4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.809 17.041 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.691 16.940 -6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.535 18.504 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.030 17.376 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.805 18.852 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.804 17.520 -2.572 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.827 10.292 -7.796 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.648 10.372 -6.941 1.00 0.00 C ATOM 1802 C ALA A 118 -5.367 10.261 -7.761 1.00 0.00 C ATOM 1803 O ALA A 118 -5.259 9.415 -8.647 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.693 9.284 -5.878 1.00 0.00 C ATOM 0 HA ALA A 118 -6.650 11.345 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.807 9.355 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.586 9.410 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.718 8.306 -6.359 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.401 11.122 -7.458 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.128 11.121 -8.169 1.00 0.00 C ATOM 1812 C GLU A 119 -2.413 9.783 -8.004 1.00 0.00 C ATOM 1813 O GLU A 119 -1.697 9.334 -8.899 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.234 12.255 -7.662 1.00 0.00 C ATOM 1815 CG GLU A 119 -1.758 12.062 -6.232 1.00 0.00 C ATOM 1816 CD GLU A 119 -1.147 13.320 -5.646 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -0.089 13.754 -6.147 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -1.727 13.869 -4.686 1.00 0.00 O ATOM 0 H GLU A 119 -4.475 11.828 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.333 11.275 -9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.366 12.342 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.781 13.196 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.598 11.748 -5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.023 11.258 -6.203 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.613 9.151 -6.853 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.986 7.866 -6.567 1.00 0.00 C ATOM 1827 C TYR A 120 -3.008 6.734 -6.637 1.00 0.00 C ATOM 1828 O TYR A 120 -3.908 6.645 -5.803 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.329 7.890 -5.187 1.00 0.00 C ATOM 1830 CG TYR A 120 0.129 8.291 -5.217 1.00 0.00 C ATOM 1831 CD1 TYR A 120 1.104 7.404 -5.656 1.00 0.00 C ATOM 1832 CD2 TYR A 120 0.530 9.557 -4.809 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.437 7.766 -5.685 1.00 0.00 C ATOM 1834 CE2 TYR A 120 1.861 9.927 -4.835 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.811 9.028 -5.274 1.00 0.00 C ATOM 1836 OH TYR A 120 4.137 9.393 -5.302 1.00 0.00 O ATOM 0 H TYR A 120 -3.205 9.508 -6.103 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.221 7.688 -7.322 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.875 8.583 -4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.416 6.902 -4.735 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.815 6.415 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.211 10.264 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.183 7.064 -6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 120 2.156 10.915 -4.513 1.00 0.00 H new ATOM 0 HH TYR A 120 4.229 10.314 -4.981 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.859 5.872 -7.637 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.768 4.746 -7.816 1.00 0.00 C ATOM 1848 C GLU A 121 -3.028 3.531 -8.368 1.00 0.00 C ATOM 1849 O GLU A 121 -2.193 3.654 -9.265 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.913 5.130 -8.756 1.00 0.00 C ATOM 1851 CG GLU A 121 -6.087 5.787 -8.048 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.871 6.713 -8.957 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.264 7.286 -9.886 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -8.091 6.865 -8.740 1.00 0.00 O ATOM 0 H GLU A 121 -2.118 5.931 -8.335 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.180 4.487 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.533 5.809 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.264 4.236 -9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.752 5.015 -7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.720 6.351 -7.190 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.340 2.359 -7.827 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.703 1.122 -8.262 1.00 0.00 C ATOM 1863 C TYR A 122 -3.744 0.102 -8.711 1.00 0.00 C ATOM 1864 O TYR A 122 -4.930 0.415 -8.817 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.852 0.537 -7.134 1.00 0.00 C ATOM 1866 CG TYR A 122 -0.995 1.563 -6.427 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.509 2.329 -5.388 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.329 1.765 -6.797 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.730 3.268 -4.740 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.115 2.701 -6.154 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.581 3.450 -5.127 1.00 0.00 C ATOM 1872 OH TYR A 122 1.361 4.383 -4.483 1.00 0.00 O ATOM 0 H TYR A 122 -4.031 2.240 -7.086 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.059 1.354 -9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.508 0.060 -6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.208 -0.242 -7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.535 2.188 -5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.751 1.180 -7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.145 3.856 -3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.142 2.845 -6.454 1.00 0.00 H new ATOM 0 HH TYR A 122 1.134 5.279 -4.807 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.292 -1.121 -8.971 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.184 -2.188 -9.409 1.00 0.00 C ATOM 1884 C GLU A 123 -3.608 -3.557 -9.058 1.00 0.00 C ATOM 1885 O GLU A 123 -2.584 -3.970 -9.604 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.426 -2.095 -10.917 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.403 -3.134 -11.441 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.237 -3.393 -12.926 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -4.136 -3.821 -13.334 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.206 -3.169 -13.680 1.00 0.00 O ATOM 0 H GLU A 123 -2.314 -1.397 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.134 -2.069 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.803 -1.101 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.475 -2.208 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.263 -4.067 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.422 -2.800 -11.246 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.272 -4.256 -8.144 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.828 -5.578 -7.720 1.00 0.00 C ATOM 1899 C VAL A 124 -3.752 -6.538 -8.903 1.00 0.00 C ATOM 1900 O VAL A 124 -4.774 -6.906 -9.484 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.765 -6.171 -6.652 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.228 -7.501 -6.147 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.950 -5.190 -5.503 1.00 0.00 C ATOM 0 H VAL A 124 -5.120 -3.928 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.834 -5.454 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.739 -6.351 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.904 -7.904 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.152 -8.202 -6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.242 -7.352 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.615 -5.625 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.983 -4.977 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.385 -4.265 -5.881 1.00 0.00 H new ATOM 1913 N THR A 125 -2.535 -6.940 -9.255 1.00 0.00 N ATOM 1914 CA THR A 125 -2.326 -7.857 -10.369 1.00 0.00 C ATOM 1915 C THR A 125 -1.148 -8.786 -10.102 1.00 0.00 C ATOM 1916 O THR A 125 -0.253 -8.460 -9.322 1.00 0.00 O ATOM 1917 CB THR A 125 -2.076 -7.095 -11.684 1.00 0.00 C ATOM 1918 OG1 THR A 125 -2.090 -8.006 -12.788 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.742 -6.363 -11.640 1.00 0.00 C ATOM 0 H THR A 125 -1.679 -6.645 -8.785 1.00 0.00 H new ATOM 0 HA THR A 125 -3.237 -8.448 -10.467 1.00 0.00 H new ATOM 0 HB THR A 125 -2.871 -6.360 -11.810 1.00 0.00 H new ATOM 0 HG1 THR A 125 -2.815 -8.655 -12.668 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.587 -5.832 -12.579 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.746 -5.649 -10.816 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.063 -7.083 -11.493 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.154 -9.945 -10.754 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.085 -10.922 -10.585 1.00 0.00 C ATOM 1929 C GLU A 126 0.774 -11.010 -11.843 1.00 0.00 C ATOM 1930 O GLU A 126 0.288 -11.372 -12.914 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.668 -12.297 -10.254 1.00 0.00 C ATOM 1932 CG GLU A 126 0.219 -13.131 -9.344 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.234 -14.575 -9.252 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.266 -14.914 -9.867 1.00 0.00 O ATOM 1935 OE2 GLU A 126 0.444 -15.366 -8.563 1.00 0.00 O ATOM 0 H GLU A 126 -1.887 -10.230 -11.404 1.00 0.00 H new ATOM 0 HA GLU A 126 0.545 -10.595 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.640 -12.165 -9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.838 -12.843 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.244 -13.099 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.225 -12.692 -8.346 1.00 0.00 H new ATOM 1942 N GLU A 127 2.054 -10.677 -11.704 1.00 0.00 N ATOM 1943 CA GLU A 127 2.980 -10.718 -12.829 1.00 0.00 C ATOM 1944 C GLU A 127 4.318 -11.322 -12.412 1.00 0.00 C ATOM 1945 O GLU A 127 4.676 -11.309 -11.234 1.00 0.00 O ATOM 1946 CB GLU A 127 3.197 -9.312 -13.391 1.00 0.00 C ATOM 1947 CG GLU A 127 1.915 -8.635 -13.848 1.00 0.00 C ATOM 1948 CD GLU A 127 1.952 -8.242 -15.312 1.00 0.00 C ATOM 1949 OE1 GLU A 127 1.959 -9.151 -16.169 1.00 0.00 O ATOM 1950 OE2 GLU A 127 1.975 -7.028 -15.601 1.00 0.00 O ATOM 0 H GLU A 127 2.472 -10.376 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 127 2.542 -11.348 -13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.672 -8.694 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.888 -9.369 -14.232 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.073 -9.306 -13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.742 -7.746 -13.241 1.00 0.00 H new ATOM 1957 N ASP A 128 5.050 -11.852 -13.385 1.00 0.00 N ATOM 1958 CA ASP A 128 6.349 -12.461 -13.120 1.00 0.00 C ATOM 1959 C ASP A 128 7.356 -11.413 -12.656 1.00 0.00 C ATOM 1960 O ASP A 128 7.265 -10.243 -13.029 1.00 0.00 O ATOM 1961 CB ASP A 128 6.870 -13.168 -14.372 1.00 0.00 C ATOM 1962 CG ASP A 128 5.982 -14.321 -14.797 1.00 0.00 C ATOM 1963 OD1 ASP A 128 6.066 -15.397 -14.170 1.00 0.00 O ATOM 1964 OD2 ASP A 128 5.203 -14.147 -15.759 1.00 0.00 O ATOM 0 H ASP A 128 4.767 -11.873 -14.365 1.00 0.00 H new ATOM 0 HA ASP A 128 6.223 -13.195 -12.324 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.943 -12.449 -15.188 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.877 -13.539 -14.184 1.00 0.00 H new ATOM 1969 N TRP A 129 8.313 -11.840 -11.841 1.00 0.00 N ATOM 1970 CA TRP A 129 9.337 -10.938 -11.326 1.00 0.00 C ATOM 1971 C TRP A 129 10.105 -10.278 -12.466 1.00 0.00 C ATOM 1972 O TRP A 129 10.547 -9.136 -12.347 1.00 0.00 O ATOM 1973 CB TRP A 129 10.304 -11.698 -10.416 1.00 0.00 C ATOM 1974 CG TRP A 129 11.583 -10.959 -10.160 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.797 -11.197 -10.739 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.774 -9.865 -9.258 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.731 -10.316 -10.251 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.129 -9.488 -9.341 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.933 -9.165 -8.389 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.659 -8.444 -8.587 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.460 -8.129 -7.641 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.812 -7.776 -7.745 1.00 0.00 C ATOM 0 H TRP A 129 8.402 -12.805 -11.522 1.00 0.00 H new ATOM 0 HA TRP A 129 8.841 -10.158 -10.748 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.813 -11.901 -9.464 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.534 -12.663 -10.868 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.994 -11.965 -11.473 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.714 -10.284 -10.522 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.889 -9.429 -8.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.701 -8.171 -8.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.819 -7.582 -6.965 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.193 -6.960 -7.149 1.00 0.00 H new ATOM 1993 N GLU A 130 10.258 -11.003 -13.569 1.00 0.00 N ATOM 1994 CA GLU A 130 10.974 -10.486 -14.729 1.00 0.00 C ATOM 1995 C GLU A 130 10.129 -9.455 -15.474 1.00 0.00 C ATOM 1996 O GLU A 130 10.595 -8.820 -16.421 1.00 0.00 O ATOM 1997 CB GLU A 130 11.353 -11.628 -15.674 1.00 0.00 C ATOM 1998 CG GLU A 130 11.937 -12.837 -14.963 1.00 0.00 C ATOM 1999 CD GLU A 130 13.198 -13.353 -15.629 1.00 0.00 C ATOM 2000 OE1 GLU A 130 14.255 -12.707 -15.481 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.126 -14.405 -16.299 1.00 0.00 O ATOM 0 H GLU A 130 9.896 -11.950 -13.684 1.00 0.00 H new ATOM 0 HA GLU A 130 11.883 -10.000 -14.375 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.468 -11.937 -16.231 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.076 -11.261 -16.402 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.159 -12.574 -13.929 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.193 -13.633 -14.937 1.00 0.00 H new ATOM 2008 N THR A 131 8.883 -9.294 -15.039 1.00 0.00 N ATOM 2009 CA THR A 131 7.972 -8.343 -15.664 1.00 0.00 C ATOM 2010 C THR A 131 7.889 -7.052 -14.858 1.00 0.00 C ATOM 2011 O THR A 131 7.710 -5.970 -15.419 1.00 0.00 O ATOM 2012 CB THR A 131 6.558 -8.935 -15.813 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.602 -10.108 -16.633 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.608 -7.917 -16.425 1.00 0.00 C ATOM 0 H THR A 131 8.482 -9.810 -14.256 1.00 0.00 H new ATOM 0 HA THR A 131 8.372 -8.125 -16.654 1.00 0.00 H new ATOM 0 HB THR A 131 6.192 -9.200 -14.821 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.699 -10.479 -16.721 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.615 -8.357 -16.521 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.555 -7.037 -15.783 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.972 -7.626 -17.410 1.00 0.00 H new ATOM 2022 N ILE A 132 8.019 -7.172 -13.541 1.00 0.00 N ATOM 2023 CA ILE A 132 7.959 -6.013 -12.659 1.00 0.00 C ATOM 2024 C ILE A 132 9.357 -5.507 -12.322 1.00 0.00 C ATOM 2025 O ILE A 132 9.530 -4.362 -11.901 1.00 0.00 O ATOM 2026 CB ILE A 132 7.214 -6.339 -11.351 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.859 -6.980 -11.657 1.00 0.00 C ATOM 2028 CG2 ILE A 132 7.034 -5.079 -10.517 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.320 -7.823 -10.522 1.00 0.00 C ATOM 0 H ILE A 132 8.167 -8.060 -13.061 1.00 0.00 H new ATOM 0 HA ILE A 132 7.413 -5.236 -13.194 1.00 0.00 H new ATOM 0 HB ILE A 132 7.809 -7.049 -10.777 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.139 -6.195 -11.890 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.953 -7.601 -12.548 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.506 -5.325 -9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.011 -4.660 -10.275 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.456 -4.348 -11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.357 -8.246 -10.808 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.020 -8.629 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.194 -7.202 -9.635 1.00 0.00 H new ATOM 2041 N TYR A 133 10.353 -6.365 -12.511 1.00 0.00 N ATOM 2042 CA TYR A 133 11.737 -6.005 -12.227 1.00 0.00 C ATOM 2043 C TYR A 133 12.113 -4.698 -12.918 1.00 0.00 C ATOM 2044 O TYR A 133 12.546 -3.734 -12.286 1.00 0.00 O ATOM 2045 CB TYR A 133 12.679 -7.123 -12.677 1.00 0.00 C ATOM 2046 CG TYR A 133 14.060 -6.635 -13.054 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.779 -5.801 -12.207 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.646 -7.010 -14.257 1.00 0.00 C ATOM 2049 CE1 TYR A 133 16.041 -5.353 -12.548 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.908 -6.568 -14.605 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.600 -5.739 -13.748 1.00 0.00 C ATOM 2052 OH TYR A 133 17.857 -5.296 -14.091 1.00 0.00 O ATOM 0 H TYR A 133 10.228 -7.315 -12.860 1.00 0.00 H new ATOM 0 HA TYR A 133 11.836 -5.867 -11.150 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.768 -7.856 -11.876 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.238 -7.636 -13.532 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.344 -5.498 -11.266 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.106 -7.658 -14.931 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.586 -4.704 -11.879 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.350 -6.870 -15.543 1.00 0.00 H new ATOM 0 HH TYR A 133 18.105 -5.660 -14.967 1.00 0.00 H new ATOM 2062 N PRO A 134 11.944 -4.664 -14.248 1.00 0.00 N ATOM 2063 CA PRO A 134 12.258 -3.481 -15.056 1.00 0.00 C ATOM 2064 C PRO A 134 11.607 -2.216 -14.508 1.00 0.00 C ATOM 2065 O PRO A 134 12.262 -1.183 -14.361 1.00 0.00 O ATOM 2066 CB PRO A 134 11.682 -3.828 -16.431 1.00 0.00 C ATOM 2067 CG PRO A 134 11.709 -5.316 -16.489 1.00 0.00 C ATOM 2068 CD PRO A 134 11.433 -5.776 -15.066 1.00 0.00 C ATOM 0 HA PRO A 134 13.327 -3.267 -15.069 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.667 -3.446 -16.543 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.278 -3.390 -17.232 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.956 -5.697 -17.179 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.675 -5.679 -16.840 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.370 -5.945 -14.897 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.945 -6.711 -14.839 1.00 0.00 H new ATOM 2076 N CYS A 135 10.316 -2.303 -14.208 1.00 0.00 N ATOM 2077 CA CYS A 135 9.576 -1.164 -13.677 1.00 0.00 C ATOM 2078 C CYS A 135 9.233 -1.376 -12.206 1.00 0.00 C ATOM 2079 O CYS A 135 8.061 -1.394 -11.827 1.00 0.00 O ATOM 2080 CB CYS A 135 8.296 -0.939 -14.485 1.00 0.00 C ATOM 2081 SG CYS A 135 8.541 -0.959 -16.276 1.00 0.00 S ATOM 0 H CYS A 135 9.760 -3.150 -14.323 1.00 0.00 H new ATOM 0 HA CYS A 135 10.209 -0.281 -13.760 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.571 -1.709 -14.220 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.862 0.019 -14.199 1.00 0.00 H new ATOM 0 HG CYS A 135 7.593 -0.281 -16.851 1.00 0.00 H new ATOM 2087 N LEU A 136 10.262 -1.539 -11.382 1.00 0.00 N ATOM 2088 CA LEU A 136 10.070 -1.753 -9.952 1.00 0.00 C ATOM 2089 C LEU A 136 10.049 -0.425 -9.201 1.00 0.00 C ATOM 2090 O LEU A 136 10.912 0.429 -9.406 1.00 0.00 O ATOM 2091 CB LEU A 136 11.178 -2.649 -9.397 1.00 0.00 C ATOM 2092 CG LEU A 136 10.751 -4.050 -8.956 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.913 -4.780 -8.301 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.564 -3.971 -8.007 1.00 0.00 C ATOM 0 H LEU A 136 11.238 -1.527 -11.679 1.00 0.00 H new ATOM 0 HA LEU A 136 9.108 -2.245 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.952 -2.750 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.633 -2.144 -8.545 1.00 0.00 H new ATOM 0 HG LEU A 136 10.447 -4.612 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.591 -5.775 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.735 -4.868 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.248 -4.221 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.273 -4.977 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.840 -3.392 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.727 -3.488 -8.511 1.00 0.00 H new ATOM 2106 N SER A 137 9.060 -0.259 -8.329 1.00 0.00 N ATOM 2107 CA SER A 137 8.927 0.965 -7.548 1.00 0.00 C ATOM 2108 C SER A 137 10.175 1.212 -6.707 1.00 0.00 C ATOM 2109 O SER A 137 10.957 0.302 -6.428 1.00 0.00 O ATOM 2110 CB SER A 137 7.695 0.887 -6.644 1.00 0.00 C ATOM 2111 OG SER A 137 7.987 1.367 -5.343 1.00 0.00 O ATOM 0 H SER A 137 8.339 -0.957 -8.146 1.00 0.00 H new ATOM 0 HA SER A 137 8.808 1.798 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.884 1.472 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.348 -0.145 -6.585 1.00 0.00 H new ATOM 0 HG SER A 137 7.585 0.771 -4.677 1.00 0.00 H new ATOM 2117 N PRO A 138 10.368 2.472 -6.291 1.00 0.00 N ATOM 2118 CA PRO A 138 11.519 2.869 -5.475 1.00 0.00 C ATOM 2119 C PRO A 138 11.446 2.309 -4.058 1.00 0.00 C ATOM 2120 O PRO A 138 10.669 2.786 -3.231 1.00 0.00 O ATOM 2121 CB PRO A 138 11.428 4.397 -5.451 1.00 0.00 C ATOM 2122 CG PRO A 138 9.986 4.693 -5.679 1.00 0.00 C ATOM 2123 CD PRO A 138 9.477 3.607 -6.585 1.00 0.00 C ATOM 0 HA PRO A 138 12.457 2.491 -5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.769 4.799 -4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.051 4.843 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.437 4.705 -4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.857 5.674 -6.136 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.435 3.365 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.532 3.900 -7.633 1.00 0.00 H new ATOM 2131 N LYS A 139 12.260 1.296 -3.785 1.00 0.00 N ATOM 2132 CA LYS A 139 12.290 0.672 -2.467 1.00 0.00 C ATOM 2133 C LYS A 139 13.138 1.488 -1.497 1.00 0.00 C ATOM 2134 O LYS A 139 14.343 1.645 -1.692 1.00 0.00 O ATOM 2135 CB LYS A 139 12.840 -0.753 -2.568 1.00 0.00 C ATOM 2136 CG LYS A 139 11.795 -1.782 -2.962 1.00 0.00 C ATOM 2137 CD LYS A 139 12.382 -3.183 -3.012 1.00 0.00 C ATOM 2138 CE LYS A 139 11.295 -4.245 -2.967 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.789 -5.520 -2.375 1.00 0.00 N ATOM 0 H LYS A 139 12.908 0.889 -4.459 1.00 0.00 H new ATOM 0 HA LYS A 139 11.269 0.636 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.648 -0.770 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.272 -1.036 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.971 -1.757 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.380 -1.526 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.969 -3.300 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.064 -3.323 -2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.451 -3.877 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.927 -4.432 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 11.018 -6.218 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.578 -5.885 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.116 -5.348 -1.403 1.00 0.00 H new ATOM 2153 N SER A 140 12.500 2.005 -0.451 1.00 0.00 N ATOM 2154 CA SER A 140 13.196 2.807 0.548 1.00 0.00 C ATOM 2155 C SER A 140 13.390 2.018 1.839 1.00 0.00 C ATOM 2156 O SER A 140 12.529 1.234 2.236 1.00 0.00 O ATOM 2157 CB SER A 140 12.416 4.091 0.835 1.00 0.00 C ATOM 2158 OG SER A 140 12.854 5.151 0.001 1.00 0.00 O ATOM 0 H SER A 140 11.503 1.883 -0.274 1.00 0.00 H new ATOM 0 HA SER A 140 14.177 3.067 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.352 3.916 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 140 12.542 4.371 1.881 1.00 0.00 H new ATOM 0 HG SER A 140 12.449 5.992 0.300 1.00 0.00 H new