USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot 37:sc= 1.11 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -4.4! C(o=-3.3!,f=-7.6!) USER MOD Set 2.1: A 19 CYS SG : rot 178:sc= -1.04 USER MOD Set 2.2: A 76 MET CE :methyl 150:sc= -3.51! (180deg=-6.25!) USER MOD Single : A 18 SER OG : rot 170:sc= -0.293 USER MOD Single : A 20 CYS SG : rot -70:sc= 0.826 USER MOD Single : A 23 SER OG : rot 88:sc= -1.52! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 40 THR OG1 : rot -25:sc= 0.0325 USER MOD Single : A 41 SER OG : rot -91:sc= 1.25 USER MOD Single : A 42 GLN : amide:sc= 1.02 K(o=1,f=-2.4!) USER MOD Single : A 44 HIS : no HD1:sc= 0.713 K(o=0.71,f=-4.2!) USER MOD Single : A 45 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-1.4) USER MOD Single : A 49 GLN : amide:sc= 0.587 K(o=0.59,f=0) USER MOD Single : A 51 THR OG1 : rot 140:sc= -1.02! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0263 USER MOD Single : A 58 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.035) USER MOD Single : A 68 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-0.5) USER MOD Single : A 77 SER OG : rot 73:sc= 0.801 USER MOD Single : A 78 HIS : no HD1:sc= -1.75! K(o=-1.8!,f=0.13) USER MOD Single : A 80 GLN : amide:sc= -7.64! K(o=-7.6!,f=-2) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 1.05 K(o=1,f=-0.1) USER MOD Single : A 95 SER OG : rot 23:sc= 0.152 USER MOD Single : A 98 LYS NZ :NH3+ 143:sc= 1.21 (180deg=0.371) USER MOD Single : A 105 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.37) USER MOD Single : A 106 MET CE :methyl -127:sc= -0.599 (180deg=-1.16) USER MOD Single : A 107 GLN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 7.359 18.665 -6.746 1.00 10.00 N ATOM 139 CA ASP A 15 7.472 18.170 -5.437 1.00 10.00 C ATOM 140 C ASP A 15 6.502 17.100 -5.111 1.00 10.00 C ATOM 141 O ASP A 15 5.923 17.060 -4.038 1.00 10.00 O ATOM 142 CB ASP A 15 7.489 19.271 -4.401 1.00 10.00 C ATOM 143 CG ASP A 15 6.298 20.212 -4.447 1.00 10.00 C ATOM 144 OD1 ASP A 15 6.295 21.140 -5.292 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.384 20.086 -3.618 1.00 10.00 O ATOM 0 HA ASP A 15 8.449 17.687 -5.401 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.537 18.817 -3.411 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.400 19.855 -4.528 1.00 10.00 H new ATOM 150 N LEU A 16 6.356 16.234 -6.008 1.00 10.00 N ATOM 151 CA LEU A 16 5.677 15.038 -5.799 1.00 10.00 C ATOM 152 C LEU A 16 6.605 13.913 -6.085 1.00 10.00 C ATOM 153 O LEU A 16 7.549 14.031 -6.878 1.00 10.00 O ATOM 154 CB LEU A 16 4.396 14.910 -6.592 1.00 10.00 C ATOM 155 CG LEU A 16 3.324 15.982 -6.431 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.028 16.389 -5.000 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.508 17.134 -7.373 1.00 10.00 C ATOM 0 H LEU A 16 6.722 16.340 -6.954 1.00 10.00 H new ATOM 0 HA LEU A 16 5.358 15.016 -4.757 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.664 14.867 -7.648 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.945 13.951 -6.338 1.00 10.00 H new ATOM 0 HG LEU A 16 2.399 15.493 -6.738 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.253 17.155 -4.993 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.685 15.520 -4.438 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.933 16.784 -4.539 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.716 17.865 -7.212 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.476 17.601 -7.191 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.466 16.774 -8.401 1.00 10.00 H new ATOM 169 N VAL A 17 6.355 12.844 -5.436 1.00 10.00 N ATOM 170 CA VAL A 17 7.102 11.676 -5.495 1.00 10.00 C ATOM 171 C VAL A 17 6.145 10.508 -5.222 1.00 10.00 C ATOM 172 O VAL A 17 5.162 10.665 -4.511 1.00 10.00 O ATOM 173 CB VAL A 17 8.268 11.676 -4.450 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.826 10.319 -4.297 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.393 12.640 -4.809 1.00 10.00 C ATOM 0 H VAL A 17 5.558 12.769 -4.804 1.00 10.00 H new ATOM 0 HA VAL A 17 7.564 11.587 -6.478 1.00 10.00 H new ATOM 0 HB VAL A 17 7.831 12.014 -3.510 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.635 10.338 -3.567 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.044 9.641 -3.955 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.211 9.974 -5.256 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.170 12.593 -4.046 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.816 12.363 -5.775 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.999 13.655 -4.863 1.00 10.00 H new ATOM 185 N SER A 18 6.394 9.406 -5.817 1.00 10.00 N ATOM 186 CA SER A 18 5.624 8.236 -5.570 1.00 10.00 C ATOM 187 C SER A 18 6.553 7.105 -5.282 1.00 10.00 C ATOM 188 O SER A 18 7.468 6.819 -6.081 1.00 10.00 O ATOM 189 CB SER A 18 4.694 7.886 -6.742 1.00 10.00 C ATOM 190 OG SER A 18 5.424 7.621 -7.924 1.00 10.00 O ATOM 0 H SER A 18 7.144 9.282 -6.497 1.00 10.00 H new ATOM 0 HA SER A 18 4.979 8.425 -4.712 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.092 7.015 -6.482 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.003 8.710 -6.918 1.00 10.00 H new ATOM 0 HG SER A 18 4.824 7.247 -8.603 1.00 10.00 H new ATOM 196 N CYS A 19 6.387 6.509 -4.159 1.00 10.00 N ATOM 197 CA CYS A 19 7.172 5.391 -3.814 1.00 10.00 C ATOM 198 C CYS A 19 6.328 4.169 -4.136 1.00 10.00 C ATOM 199 O CYS A 19 5.144 4.124 -3.792 1.00 10.00 O ATOM 200 CB CYS A 19 7.579 5.476 -2.338 1.00 10.00 C ATOM 201 SG CYS A 19 6.248 5.281 -1.160 1.00 10.00 S ATOM 0 H CYS A 19 5.702 6.785 -3.455 1.00 10.00 H new ATOM 0 HA CYS A 19 8.107 5.342 -4.372 1.00 10.00 H new ATOM 0 HB2 CYS A 19 8.330 4.711 -2.142 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.055 6.441 -2.165 1.00 10.00 H new ATOM 0 HG CYS A 19 6.726 5.337 0.048 1.00 10.00 H new ATOM 207 N CYS A 20 6.885 3.239 -4.854 1.00 10.00 N ATOM 208 CA CYS A 20 6.151 2.087 -5.306 1.00 10.00 C ATOM 209 C CYS A 20 6.748 0.889 -4.666 1.00 10.00 C ATOM 210 O CYS A 20 7.849 0.513 -5.015 1.00 10.00 O ATOM 211 CB CYS A 20 6.249 1.983 -6.831 1.00 10.00 C ATOM 212 SG CYS A 20 5.816 3.506 -7.701 1.00 10.00 S ATOM 0 H CYS A 20 7.862 3.255 -5.145 1.00 10.00 H new ATOM 0 HA CYS A 20 5.098 2.168 -5.036 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.266 1.699 -7.101 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.593 1.182 -7.173 1.00 10.00 H new ATOM 0 HG CYS A 20 4.538 3.720 -7.591 1.00 10.00 H new ATOM 218 N TYR A 21 6.055 0.282 -3.735 1.00 10.00 N ATOM 219 CA TYR A 21 6.669 -0.757 -3.002 1.00 10.00 C ATOM 220 C TYR A 21 5.988 -2.094 -3.173 1.00 10.00 C ATOM 221 O TYR A 21 4.764 -2.181 -3.376 1.00 10.00 O ATOM 222 CB TYR A 21 6.804 -0.377 -1.540 1.00 10.00 C ATOM 223 CG TYR A 21 5.625 -0.397 -0.620 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.092 -1.579 -0.149 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.118 0.783 -0.135 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.096 -1.579 0.775 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.114 0.788 0.778 1.00 10.00 C ATOM 228 CZ TYR A 21 3.608 -0.397 1.234 1.00 10.00 C ATOM 229 OH TYR A 21 2.640 -0.407 2.180 1.00 10.00 O ATOM 0 H TYR A 21 5.090 0.494 -3.483 1.00 10.00 H new ATOM 0 HA TYR A 21 7.668 -0.884 -3.418 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.555 -1.038 -1.108 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.213 0.633 -1.511 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.472 -2.519 -0.521 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.524 1.721 -0.485 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.695 -2.512 1.142 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.717 1.724 1.143 1.00 10.00 H new ATOM 0 HH TYR A 21 2.803 -1.142 2.807 1.00 10.00 H new ATOM 239 N ARG A 22 6.771 -3.119 -3.047 1.00 10.00 N ATOM 240 CA ARG A 22 6.340 -4.463 -3.213 1.00 10.00 C ATOM 241 C ARG A 22 6.555 -5.204 -1.890 1.00 10.00 C ATOM 242 O ARG A 22 7.674 -5.336 -1.403 1.00 10.00 O ATOM 243 CB ARG A 22 7.168 -5.091 -4.361 1.00 10.00 C ATOM 244 CG ARG A 22 6.711 -6.457 -4.905 1.00 10.00 C ATOM 245 CD ARG A 22 6.864 -7.604 -3.912 1.00 10.00 C ATOM 246 NE ARG A 22 8.239 -7.740 -3.395 1.00 10.00 N ATOM 247 CZ ARG A 22 9.129 -8.652 -3.836 1.00 10.00 C ATOM 248 NH1 ARG A 22 8.869 -9.373 -4.926 1.00 10.00 N ATOM 249 NH2 ARG A 22 10.276 -8.828 -3.194 1.00 10.00 N ATOM 0 H ARG A 22 7.761 -3.035 -2.818 1.00 10.00 H new ATOM 0 HA ARG A 22 5.283 -4.524 -3.472 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.180 -4.385 -5.192 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.197 -5.194 -4.016 1.00 10.00 H new ATOM 0 HG2 ARG A 22 5.665 -6.386 -5.204 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.284 -6.689 -5.803 1.00 10.00 H new ATOM 0 HD2 ARG A 22 6.182 -7.447 -3.077 1.00 10.00 H new ATOM 0 HD3 ARG A 22 6.569 -8.536 -4.394 1.00 10.00 H new ATOM 0 HE ARG A 22 8.536 -7.103 -2.656 1.00 10.00 H new ATOM 0 HH11 ARG A 22 7.993 -9.236 -5.431 1.00 10.00 H new ATOM 0 HH12 ARG A 22 9.546 -10.062 -5.255 1.00 10.00 H new ATOM 0 HH21 ARG A 22 10.487 -8.273 -2.365 1.00 10.00 H new ATOM 0 HH22 ARG A 22 10.948 -9.519 -3.530 1.00 10.00 H new ATOM 263 N SER A 23 5.501 -5.666 -1.317 1.00 10.00 N ATOM 264 CA SER A 23 5.555 -6.434 -0.113 1.00 10.00 C ATOM 265 C SER A 23 5.004 -7.816 -0.385 1.00 10.00 C ATOM 266 O SER A 23 4.464 -8.064 -1.444 1.00 10.00 O ATOM 267 CB SER A 23 4.741 -5.751 0.965 1.00 10.00 C ATOM 268 OG SER A 23 5.216 -4.464 1.172 1.00 10.00 O ATOM 0 H SER A 23 4.557 -5.521 -1.674 1.00 10.00 H new ATOM 0 HA SER A 23 6.587 -6.516 0.228 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.691 -5.718 0.674 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.797 -6.322 1.892 1.00 10.00 H new ATOM 0 HG SER A 23 4.771 -3.848 0.554 1.00 10.00 H new ATOM 274 N LEU A 24 5.145 -8.704 0.550 1.00 10.00 N ATOM 275 CA LEU A 24 4.613 -10.066 0.381 1.00 10.00 C ATOM 276 C LEU A 24 3.665 -10.417 1.498 1.00 10.00 C ATOM 277 O LEU A 24 3.818 -11.472 2.084 1.00 10.00 O ATOM 278 CB LEU A 24 5.721 -11.157 0.272 1.00 10.00 C ATOM 279 CG LEU A 24 6.595 -11.215 -0.997 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.749 -11.298 -2.257 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.570 -10.069 -1.067 1.00 10.00 C ATOM 0 H LEU A 24 5.616 -8.535 1.439 1.00 10.00 H new ATOM 0 HA LEU A 24 4.078 -10.057 -0.569 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.388 -11.034 1.125 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.238 -12.128 0.383 1.00 10.00 H new ATOM 0 HG LEU A 24 7.182 -12.131 -0.932 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.400 -11.337 -3.130 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.133 -12.197 -2.223 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.107 -10.420 -2.322 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.164 -10.152 -1.977 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.023 -9.126 -1.075 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.229 -10.099 -0.200 1.00 10.00 H new ATOM 293 N ALA A 25 2.702 -9.478 1.768 1.00 10.00 N ATOM 294 CA ALA A 25 1.655 -9.549 2.852 1.00 10.00 C ATOM 295 C ALA A 25 1.858 -10.697 3.809 1.00 10.00 C ATOM 296 O ALA A 25 1.562 -11.850 3.475 1.00 10.00 O ATOM 297 CB ALA A 25 0.250 -9.570 2.265 1.00 10.00 C ATOM 0 H ALA A 25 2.628 -8.621 1.220 1.00 10.00 H new ATOM 0 HA ALA A 25 1.773 -8.638 3.439 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.481 -9.621 3.072 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.085 -8.663 1.683 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.139 -10.441 1.619 1.00 10.00 H new ATOM 303 N ALA A 26 2.336 -10.376 5.005 1.00 10.00 N ATOM 304 CA ALA A 26 2.762 -11.367 5.927 1.00 10.00 C ATOM 305 C ALA A 26 1.639 -12.337 6.287 1.00 10.00 C ATOM 306 O ALA A 26 0.490 -11.942 6.430 1.00 10.00 O ATOM 307 CB ALA A 26 3.264 -10.684 7.147 1.00 10.00 C ATOM 0 H ALA A 26 2.431 -9.418 5.342 1.00 10.00 H new ATOM 0 HA ALA A 26 3.552 -11.959 5.466 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.597 -11.429 7.870 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.099 -10.035 6.883 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.464 -10.086 7.584 1.00 10.00 H new ATOM 313 N PRO A 27 1.974 -13.619 6.456 1.00 10.00 N ATOM 314 CA PRO A 27 1.015 -14.710 6.821 1.00 10.00 C ATOM 315 C PRO A 27 0.290 -14.479 8.148 1.00 10.00 C ATOM 316 O PRO A 27 -0.662 -15.173 8.492 1.00 10.00 O ATOM 317 CB PRO A 27 1.943 -15.917 6.955 1.00 10.00 C ATOM 318 CG PRO A 27 3.260 -15.279 7.231 1.00 10.00 C ATOM 319 CD PRO A 27 3.324 -14.170 6.282 1.00 10.00 C ATOM 0 HA PRO A 27 0.216 -14.803 6.086 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.635 -16.579 7.764 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.965 -16.516 6.045 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.325 -14.927 8.261 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.082 -15.980 7.082 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.104 -13.451 6.531 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.511 -14.503 5.261 1.00 10.00 H new ATOM 327 N ASP A 28 0.737 -13.510 8.852 1.00 10.00 N ATOM 328 CA ASP A 28 0.206 -13.179 10.157 1.00 10.00 C ATOM 329 C ASP A 28 -0.745 -11.994 10.084 1.00 10.00 C ATOM 330 O ASP A 28 -1.103 -11.375 11.095 1.00 10.00 O ATOM 331 CB ASP A 28 1.326 -12.965 11.181 1.00 10.00 C ATOM 332 CG ASP A 28 2.330 -11.903 10.809 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.303 -12.215 10.081 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.230 -10.780 11.302 1.00 10.00 O ATOM 0 H ASP A 28 1.497 -12.901 8.549 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.378 -14.031 10.505 1.00 10.00 H new ATOM 0 HB2 ASP A 28 0.878 -12.701 12.139 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.853 -13.908 11.325 1.00 10.00 H new ATOM 339 N LEU A 29 -1.174 -11.708 8.891 1.00 10.00 N ATOM 340 CA LEU A 29 -2.166 -10.696 8.645 1.00 10.00 C ATOM 341 C LEU A 29 -3.558 -11.235 8.845 1.00 10.00 C ATOM 342 O LEU A 29 -3.818 -12.428 8.668 1.00 10.00 O ATOM 343 CB LEU A 29 -2.053 -10.179 7.229 1.00 10.00 C ATOM 344 CG LEU A 29 -1.021 -9.115 6.970 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.906 -8.905 5.493 1.00 10.00 C ATOM 346 CD2 LEU A 29 -1.440 -7.820 7.627 1.00 10.00 C ATOM 0 H LEU A 29 -0.842 -12.176 8.047 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.987 -9.889 9.355 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.839 -11.025 6.576 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -3.026 -9.786 6.933 1.00 10.00 H new ATOM 0 HG LEU A 29 -0.062 -9.429 7.382 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.161 -8.136 5.292 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.604 -9.837 5.015 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.870 -8.589 5.094 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.688 -7.055 7.435 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.398 -7.498 7.218 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.537 -7.972 8.702 1.00 10.00 H new ATOM 358 N THR A 30 -4.432 -10.375 9.235 1.00 10.00 N ATOM 359 CA THR A 30 -5.810 -10.686 9.324 1.00 10.00 C ATOM 360 C THR A 30 -6.545 -9.793 8.417 1.00 10.00 C ATOM 361 O THR A 30 -6.021 -8.753 8.018 1.00 10.00 O ATOM 362 CB THR A 30 -6.362 -10.431 10.708 1.00 10.00 C ATOM 363 OG1 THR A 30 -5.943 -9.161 11.205 1.00 10.00 O ATOM 364 CG2 THR A 30 -6.012 -11.497 11.649 1.00 10.00 C ATOM 0 H THR A 30 -4.202 -9.419 9.505 1.00 10.00 H new ATOM 0 HA THR A 30 -5.925 -11.741 9.075 1.00 10.00 H new ATOM 0 HB THR A 30 -7.448 -10.423 10.617 1.00 10.00 H new ATOM 0 HG1 THR A 30 -6.316 -9.021 12.101 1.00 10.00 H new ATOM 0 HG21 THR A 30 -6.431 -11.269 12.629 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.417 -12.444 11.293 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.927 -11.572 11.726 1.00 10.00 H new ATOM 372 N LEU A 31 -7.760 -10.148 8.124 1.00 10.00 N ATOM 373 CA LEU A 31 -8.636 -9.292 7.370 1.00 10.00 C ATOM 374 C LEU A 31 -8.825 -8.023 8.128 1.00 10.00 C ATOM 375 O LEU A 31 -8.831 -6.954 7.537 1.00 10.00 O ATOM 376 CB LEU A 31 -9.966 -9.937 7.227 1.00 10.00 C ATOM 377 CG LEU A 31 -11.052 -9.138 6.508 1.00 10.00 C ATOM 378 CD1 LEU A 31 -10.734 -8.945 5.036 1.00 10.00 C ATOM 379 CD2 LEU A 31 -12.393 -9.795 6.703 1.00 10.00 C ATOM 0 H LEU A 31 -8.175 -11.038 8.399 1.00 10.00 H new ATOM 0 HA LEU A 31 -8.202 -9.105 6.388 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -9.830 -10.879 6.695 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -10.331 -10.184 8.224 1.00 10.00 H new ATOM 0 HG LEU A 31 -11.088 -8.142 6.950 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -11.532 -8.372 4.563 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.792 -8.406 4.935 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -10.650 -9.918 4.551 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -13.160 -9.217 6.187 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -12.365 -10.806 6.297 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -12.626 -9.838 7.767 1.00 10.00 H new ATOM 391 N ARG A 32 -8.911 -8.112 9.457 1.00 10.00 N ATOM 392 CA ARG A 32 -9.168 -6.905 10.185 1.00 10.00 C ATOM 393 C ARG A 32 -7.959 -6.012 10.127 1.00 10.00 C ATOM 394 O ARG A 32 -8.080 -4.805 10.184 1.00 10.00 O ATOM 395 CB ARG A 32 -9.628 -7.113 11.620 1.00 10.00 C ATOM 396 CG ARG A 32 -10.208 -5.834 12.215 1.00 10.00 C ATOM 397 CD ARG A 32 -11.512 -5.477 11.506 1.00 10.00 C ATOM 398 NE ARG A 32 -12.042 -4.167 11.867 1.00 10.00 N ATOM 399 CZ ARG A 32 -13.187 -3.668 11.384 1.00 10.00 C ATOM 400 NH1 ARG A 32 -13.976 -4.413 10.605 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.551 -2.445 11.694 1.00 10.00 N ATOM 0 H ARG A 32 -8.811 -8.963 10.010 1.00 10.00 H new ATOM 0 HA ARG A 32 -10.014 -6.426 9.692 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -10.379 -7.902 11.651 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.787 -7.449 12.227 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.388 -5.968 13.282 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -9.493 -5.018 12.113 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -11.348 -5.508 10.429 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -12.259 -6.236 11.737 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.510 -3.598 12.525 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -13.708 -5.370 10.374 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -14.846 -4.025 10.241 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -12.962 -1.876 12.302 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -14.423 -2.064 11.327 1.00 10.00 H new ATOM 415 N ASP A 33 -6.797 -6.608 9.959 1.00 10.00 N ATOM 416 CA ASP A 33 -5.605 -5.832 9.823 1.00 10.00 C ATOM 417 C ASP A 33 -5.584 -5.168 8.447 1.00 10.00 C ATOM 418 O ASP A 33 -5.144 -4.059 8.337 1.00 10.00 O ATOM 419 CB ASP A 33 -4.341 -6.659 10.069 1.00 10.00 C ATOM 420 CG ASP A 33 -3.104 -5.808 10.335 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.191 -4.561 10.410 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.015 -6.382 10.534 1.00 10.00 O ATOM 0 H ASP A 33 -6.663 -7.618 9.915 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.611 -5.059 10.591 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.508 -7.320 10.919 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -4.157 -7.294 9.203 1.00 10.00 H new ATOM 427 N LEU A 34 -6.146 -5.821 7.383 1.00 10.00 N ATOM 428 CA LEU A 34 -6.204 -5.117 6.051 1.00 10.00 C ATOM 429 C LEU A 34 -7.124 -3.950 6.145 1.00 10.00 C ATOM 430 O LEU A 34 -6.867 -2.865 5.603 1.00 10.00 O ATOM 431 CB LEU A 34 -6.696 -5.976 4.859 1.00 10.00 C ATOM 432 CG LEU A 34 -5.751 -6.996 4.242 1.00 10.00 C ATOM 433 CD1 LEU A 34 -4.419 -6.368 3.877 1.00 10.00 C ATOM 434 CD2 LEU A 34 -5.583 -8.166 5.136 1.00 10.00 C ATOM 0 H LEU A 34 -6.539 -6.762 7.406 1.00 10.00 H new ATOM 0 HA LEU A 34 -5.169 -4.843 5.846 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -7.588 -6.510 5.185 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -7.005 -5.293 4.067 1.00 10.00 H new ATOM 0 HG LEU A 34 -6.198 -7.352 3.314 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.768 -7.124 3.439 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -4.580 -5.566 3.156 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.951 -5.961 4.773 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.903 -8.882 4.674 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -5.171 -7.838 6.091 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -6.551 -8.639 5.302 1.00 10.00 H new ATOM 446 N LEU A 35 -8.192 -4.173 6.838 1.00 10.00 N ATOM 447 CA LEU A 35 -9.223 -3.176 7.012 1.00 10.00 C ATOM 448 C LEU A 35 -8.791 -2.107 8.014 1.00 10.00 C ATOM 449 O LEU A 35 -9.368 -1.022 8.093 1.00 10.00 O ATOM 450 CB LEU A 35 -10.577 -3.852 7.342 1.00 10.00 C ATOM 451 CG LEU A 35 -11.301 -4.572 6.146 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.847 -3.553 5.164 1.00 10.00 C ATOM 453 CD2 LEU A 35 -10.350 -5.509 5.398 1.00 10.00 C ATOM 0 H LEU A 35 -8.385 -5.057 7.308 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.376 -2.642 6.074 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -10.411 -4.583 8.133 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -11.250 -3.094 7.744 1.00 10.00 H new ATOM 0 HG LEU A 35 -12.117 -5.157 6.571 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.345 -4.069 4.343 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.562 -2.905 5.672 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.028 -2.951 4.771 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.883 -5.990 4.578 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.513 -4.936 5.000 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.975 -6.270 6.083 1.00 10.00 H new ATOM 465 N ASP A 36 -7.784 -2.432 8.781 1.00 10.00 N ATOM 466 CA ASP A 36 -7.112 -1.446 9.650 1.00 10.00 C ATOM 467 C ASP A 36 -6.110 -0.656 8.794 1.00 10.00 C ATOM 468 O ASP A 36 -6.056 0.570 8.850 1.00 10.00 O ATOM 469 CB ASP A 36 -6.364 -2.140 10.797 1.00 10.00 C ATOM 470 CG ASP A 36 -5.879 -1.184 11.879 1.00 10.00 C ATOM 471 OD1 ASP A 36 -4.980 -0.354 11.635 1.00 10.00 O ATOM 472 OD2 ASP A 36 -6.396 -1.253 13.013 1.00 10.00 O ATOM 0 H ASP A 36 -7.394 -3.373 8.836 1.00 10.00 H new ATOM 0 HA ASP A 36 -7.860 -0.784 10.086 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.020 -2.884 11.249 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.508 -2.677 10.388 1.00 10.00 H new ATOM 477 N ILE A 37 -5.335 -1.402 7.992 1.00 10.00 N ATOM 478 CA ILE A 37 -4.348 -0.875 7.039 1.00 10.00 C ATOM 479 C ILE A 37 -4.936 0.213 6.171 1.00 10.00 C ATOM 480 O ILE A 37 -4.366 1.304 6.070 1.00 10.00 O ATOM 481 CB ILE A 37 -3.780 -2.021 6.134 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.781 -2.867 6.911 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.131 -1.478 4.853 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.530 -4.227 6.310 1.00 10.00 C ATOM 0 H ILE A 37 -5.380 -2.421 7.989 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.536 -0.445 7.625 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.623 -2.644 5.836 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.835 -2.329 6.973 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.143 -2.993 7.931 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.752 -2.308 4.257 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.872 -0.926 4.275 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.308 -0.814 5.116 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.807 -4.767 6.922 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.465 -4.787 6.273 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -2.136 -4.111 5.300 1.00 10.00 H new ATOM 496 N VAL A 38 -6.071 -0.078 5.555 1.00 10.00 N ATOM 497 CA VAL A 38 -6.733 0.887 4.683 1.00 10.00 C ATOM 498 C VAL A 38 -7.052 2.198 5.428 1.00 10.00 C ATOM 499 O VAL A 38 -6.860 3.265 4.895 1.00 10.00 O ATOM 500 CB VAL A 38 -7.999 0.303 3.973 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.087 -0.082 4.955 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.536 1.270 2.923 1.00 10.00 C ATOM 0 H VAL A 38 -6.554 -0.972 5.641 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.022 1.119 3.890 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.682 -0.611 3.471 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.943 -0.482 4.411 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.707 -0.839 5.641 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.395 0.798 5.520 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.416 0.838 2.446 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -8.808 2.211 3.401 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -7.769 1.453 2.171 1.00 10.00 H new ATOM 512 N GLU A 39 -7.438 2.093 6.684 1.00 10.00 N ATOM 513 CA GLU A 39 -7.755 3.263 7.477 1.00 10.00 C ATOM 514 C GLU A 39 -6.507 4.018 7.935 1.00 10.00 C ATOM 515 O GLU A 39 -6.417 5.234 7.739 1.00 10.00 O ATOM 516 CB GLU A 39 -8.673 2.901 8.641 1.00 10.00 C ATOM 517 CG GLU A 39 -10.133 2.758 8.239 1.00 10.00 C ATOM 518 CD GLU A 39 -10.723 4.076 7.758 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.041 4.940 8.611 1.00 10.00 O ATOM 520 OE2 GLU A 39 -10.874 4.285 6.540 1.00 10.00 O ATOM 0 H GLU A 39 -7.540 1.207 7.178 1.00 10.00 H new ATOM 0 HA GLU A 39 -8.298 3.953 6.832 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.333 1.965 9.084 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -8.590 3.668 9.411 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.220 2.012 7.449 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.709 2.391 9.089 1.00 10.00 H new ATOM 527 N THR A 40 -5.519 3.305 8.490 1.00 10.00 N ATOM 528 CA THR A 40 -4.297 3.954 8.973 1.00 10.00 C ATOM 529 C THR A 40 -3.500 4.602 7.825 1.00 10.00 C ATOM 530 O THR A 40 -2.706 5.521 8.053 1.00 10.00 O ATOM 531 CB THR A 40 -3.372 2.997 9.801 1.00 10.00 C ATOM 532 OG1 THR A 40 -2.232 3.720 10.309 1.00 10.00 O ATOM 533 CG2 THR A 40 -2.870 1.843 8.952 1.00 10.00 C ATOM 0 H THR A 40 -5.541 2.293 8.614 1.00 10.00 H new ATOM 0 HA THR A 40 -4.636 4.738 9.650 1.00 10.00 H new ATOM 0 HB THR A 40 -3.967 2.603 10.625 1.00 10.00 H new ATOM 0 HG1 THR A 40 -2.056 4.497 9.738 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.231 1.198 9.556 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.719 1.268 8.581 1.00 10.00 H new ATOM 0 HG23 THR A 40 -2.299 2.233 8.109 1.00 10.00 H new ATOM 541 N SER A 41 -3.704 4.127 6.618 1.00 10.00 N ATOM 542 CA SER A 41 -3.033 4.681 5.496 1.00 10.00 C ATOM 543 C SER A 41 -3.753 5.921 5.007 1.00 10.00 C ATOM 544 O SER A 41 -3.217 7.029 5.092 1.00 10.00 O ATOM 545 CB SER A 41 -2.879 3.632 4.378 1.00 10.00 C ATOM 546 OG SER A 41 -4.111 3.022 4.067 1.00 10.00 O ATOM 0 H SER A 41 -4.334 3.355 6.402 1.00 10.00 H new ATOM 0 HA SER A 41 -2.030 4.980 5.801 1.00 10.00 H new ATOM 0 HB2 SER A 41 -2.472 4.107 3.486 1.00 10.00 H new ATOM 0 HB3 SER A 41 -2.163 2.871 4.688 1.00 10.00 H new ATOM 0 HG SER A 41 -4.226 2.219 4.617 1.00 10.00 H new ATOM 552 N GLN A 42 -4.994 5.737 4.594 1.00 10.00 N ATOM 553 CA GLN A 42 -5.785 6.770 3.972 1.00 10.00 C ATOM 554 C GLN A 42 -5.934 8.006 4.853 1.00 10.00 C ATOM 555 O GLN A 42 -5.805 9.108 4.374 1.00 10.00 O ATOM 556 CB GLN A 42 -7.156 6.206 3.547 1.00 10.00 C ATOM 557 CG GLN A 42 -8.150 5.949 4.678 1.00 10.00 C ATOM 558 CD GLN A 42 -9.162 7.058 4.820 1.00 10.00 C ATOM 559 OE1 GLN A 42 -8.908 8.211 4.480 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.278 6.750 5.363 1.00 10.00 N ATOM 0 H GLN A 42 -5.484 4.847 4.686 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.252 7.100 3.080 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.610 6.901 2.841 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -6.993 5.270 3.013 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.670 5.009 4.494 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.607 5.835 5.616 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.463 5.785 5.636 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.983 7.470 5.523 1.00 10.00 H new ATOM 569 N ALA A 43 -6.132 7.805 6.153 1.00 10.00 N ATOM 570 CA ALA A 43 -6.387 8.906 7.062 1.00 10.00 C ATOM 571 C ALA A 43 -5.190 9.834 7.184 1.00 10.00 C ATOM 572 O ALA A 43 -5.341 11.063 7.242 1.00 10.00 O ATOM 573 CB ALA A 43 -6.822 8.385 8.413 1.00 10.00 C ATOM 0 H ALA A 43 -6.120 6.886 6.596 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.200 9.499 6.644 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.009 9.224 9.083 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -7.735 7.800 8.301 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.036 7.755 8.830 1.00 10.00 H new ATOM 579 N HIS A 44 -4.005 9.276 7.180 1.00 10.00 N ATOM 580 CA HIS A 44 -2.812 10.097 7.287 1.00 10.00 C ATOM 581 C HIS A 44 -2.451 10.627 5.922 1.00 10.00 C ATOM 582 O HIS A 44 -1.971 11.742 5.789 1.00 10.00 O ATOM 583 CB HIS A 44 -1.643 9.305 7.856 1.00 10.00 C ATOM 584 CG HIS A 44 -0.421 10.134 8.170 1.00 10.00 C ATOM 585 ND1 HIS A 44 -0.331 10.958 9.263 1.00 10.00 N ATOM 586 CD2 HIS A 44 0.754 10.265 7.514 1.00 10.00 C ATOM 587 CE1 HIS A 44 0.839 11.558 9.261 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.513 11.150 8.215 1.00 10.00 N ATOM 0 H HIS A 44 -3.835 8.273 7.105 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.021 10.923 7.967 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -1.970 8.802 8.766 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -1.366 8.527 7.144 1.00 10.00 H new ATOM 0 HD2 HIS A 44 1.038 9.760 6.602 1.00 10.00 H new ATOM 0 HE1 HIS A 44 1.186 12.268 9.998 1.00 10.00 H new ATOM 0 HE2 HIS A 44 2.456 11.448 7.966 1.00 10.00 H new ATOM 597 N ASN A 45 -2.701 9.828 4.919 1.00 10.00 N ATOM 598 CA ASN A 45 -2.392 10.189 3.552 1.00 10.00 C ATOM 599 C ASN A 45 -3.262 11.301 3.060 1.00 10.00 C ATOM 600 O ASN A 45 -2.770 12.221 2.464 1.00 10.00 O ATOM 601 CB ASN A 45 -2.426 8.981 2.617 1.00 10.00 C ATOM 602 CG ASN A 45 -1.220 8.078 2.810 1.00 10.00 C ATOM 603 OD1 ASN A 45 -0.614 8.037 3.895 1.00 10.00 O ATOM 604 ND2 ASN A 45 -0.861 7.345 1.786 1.00 10.00 N ATOM 0 H ASN A 45 -3.125 8.906 5.022 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.367 10.560 3.548 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.338 8.411 2.794 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -2.460 9.324 1.583 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.062 6.716 1.864 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -1.380 7.403 0.910 1.00 10.00 H new ATOM 611 N ALA A 46 -4.547 11.237 3.365 1.00 10.00 N ATOM 612 CA ALA A 46 -5.494 12.295 3.015 1.00 10.00 C ATOM 613 C ALA A 46 -5.038 13.598 3.635 1.00 10.00 C ATOM 614 O ALA A 46 -5.015 14.651 2.977 1.00 10.00 O ATOM 615 CB ALA A 46 -6.879 11.947 3.531 1.00 10.00 C ATOM 0 H ALA A 46 -4.968 10.452 3.862 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.534 12.395 1.930 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.577 12.741 3.265 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.209 11.009 3.084 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -6.847 11.840 4.615 1.00 10.00 H new ATOM 621 N ARG A 47 -4.624 13.497 4.895 1.00 10.00 N ATOM 622 CA ARG A 47 -4.119 14.623 5.649 1.00 10.00 C ATOM 623 C ARG A 47 -2.855 15.146 4.997 1.00 10.00 C ATOM 624 O ARG A 47 -2.666 16.354 4.847 1.00 10.00 O ATOM 625 CB ARG A 47 -3.795 14.179 7.063 1.00 10.00 C ATOM 626 CG ARG A 47 -3.508 15.321 8.020 1.00 10.00 C ATOM 627 CD ARG A 47 -3.280 14.829 9.441 1.00 10.00 C ATOM 628 NE ARG A 47 -3.054 15.942 10.366 1.00 10.00 N ATOM 629 CZ ARG A 47 -3.340 15.933 11.684 1.00 10.00 C ATOM 630 NH1 ARG A 47 -3.875 14.849 12.262 1.00 10.00 N ATOM 631 NH2 ARG A 47 -3.102 17.014 12.416 1.00 10.00 N ATOM 0 H ARG A 47 -4.633 12.622 5.419 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.875 15.408 5.670 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.631 13.596 7.450 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -2.930 13.516 7.035 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.628 15.867 7.680 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.342 16.022 8.008 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -4.144 14.251 9.770 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.421 14.158 9.461 1.00 10.00 H new ATOM 0 HE ARG A 47 -2.647 16.794 9.982 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -4.071 14.018 11.704 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -4.087 14.855 13.260 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -2.704 17.847 11.981 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -3.317 17.012 13.413 1.00 10.00 H new ATOM 645 N ALA A 48 -1.979 14.234 4.607 1.00 10.00 N ATOM 646 CA ALA A 48 -0.742 14.614 3.977 1.00 10.00 C ATOM 647 C ALA A 48 -0.919 14.989 2.482 1.00 10.00 C ATOM 648 O ALA A 48 0.039 15.426 1.827 1.00 10.00 O ATOM 649 CB ALA A 48 0.311 13.542 4.152 1.00 10.00 C ATOM 0 H ALA A 48 -2.109 13.229 4.719 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.399 15.516 4.483 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.235 13.856 3.666 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.496 13.384 5.214 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.038 12.613 3.702 1.00 10.00 H new ATOM 655 N GLN A 49 -2.159 14.834 1.965 1.00 10.00 N ATOM 656 CA GLN A 49 -2.553 15.174 0.566 1.00 10.00 C ATOM 657 C GLN A 49 -1.997 14.161 -0.438 1.00 10.00 C ATOM 658 O GLN A 49 -1.817 14.444 -1.639 1.00 10.00 O ATOM 659 CB GLN A 49 -2.161 16.610 0.229 1.00 10.00 C ATOM 660 CG GLN A 49 -2.794 17.587 1.146 1.00 10.00 C ATOM 661 CD GLN A 49 -1.783 18.481 1.845 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.405 19.541 1.329 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.390 18.104 3.043 1.00 10.00 N ATOM 0 H GLN A 49 -2.934 14.462 2.514 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.639 15.111 0.492 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.077 16.712 0.282 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.452 16.834 -0.797 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.492 18.207 0.583 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.376 17.051 1.895 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.723 17.223 3.435 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.752 18.692 3.579 1.00 10.00 H new ATOM 672 N LEU A 50 -1.786 12.991 0.081 1.00 10.00 N ATOM 673 CA LEU A 50 -1.290 11.824 -0.611 1.00 10.00 C ATOM 674 C LEU A 50 -2.410 10.994 -1.201 1.00 10.00 C ATOM 675 O LEU A 50 -3.467 10.818 -0.595 1.00 10.00 O ATOM 676 CB LEU A 50 -0.497 10.970 0.371 1.00 10.00 C ATOM 677 CG LEU A 50 0.977 11.292 0.523 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.232 12.762 0.701 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.583 10.514 1.665 1.00 10.00 C ATOM 0 H LEU A 50 -1.966 12.805 1.068 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.659 12.161 -1.433 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.966 11.056 1.351 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.587 9.928 0.064 1.00 10.00 H new ATOM 0 HG LEU A 50 1.458 10.991 -0.408 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.303 12.936 0.805 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.859 13.304 -0.168 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.719 13.115 1.596 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.641 10.762 1.754 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.071 10.771 2.592 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.476 9.446 1.475 1.00 10.00 H new ATOM 691 N THR A 51 -2.162 10.494 -2.370 1.00 10.00 N ATOM 692 CA THR A 51 -3.060 9.681 -3.112 1.00 10.00 C ATOM 693 C THR A 51 -2.392 8.336 -3.387 1.00 10.00 C ATOM 694 O THR A 51 -1.179 8.249 -3.340 1.00 10.00 O ATOM 695 CB THR A 51 -3.525 10.482 -4.335 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.417 11.050 -5.016 1.00 10.00 O ATOM 697 CG2 THR A 51 -4.335 11.623 -3.804 1.00 10.00 C ATOM 0 H THR A 51 -1.279 10.653 -2.854 1.00 10.00 H new ATOM 0 HA THR A 51 -3.972 9.427 -2.571 1.00 10.00 H new ATOM 0 HB THR A 51 -4.075 9.833 -5.016 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.557 10.980 -5.983 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.695 12.231 -4.634 1.00 10.00 H new ATOM 0 HG22 THR A 51 -5.185 11.235 -3.243 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.716 12.234 -3.148 1.00 10.00 H new ATOM 705 N GLY A 52 -3.150 7.282 -3.583 1.00 10.00 N ATOM 706 CA GLY A 52 -2.529 5.974 -3.561 1.00 10.00 C ATOM 707 C GLY A 52 -3.374 4.901 -4.102 1.00 10.00 C ATOM 708 O GLY A 52 -4.479 5.146 -4.542 1.00 10.00 O ATOM 0 H GLY A 52 -4.156 7.296 -3.753 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.601 6.014 -4.132 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.261 5.728 -2.534 1.00 10.00 H new ATOM 712 N ALA A 53 -2.823 3.728 -4.148 1.00 10.00 N ATOM 713 CA ALA A 53 -3.511 2.543 -4.576 1.00 10.00 C ATOM 714 C ALA A 53 -2.714 1.324 -4.161 1.00 10.00 C ATOM 715 O ALA A 53 -1.516 1.439 -3.873 1.00 10.00 O ATOM 716 CB ALA A 53 -3.743 2.556 -6.077 1.00 10.00 C ATOM 0 H ALA A 53 -1.853 3.560 -3.881 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.490 2.510 -4.098 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.266 1.646 -6.372 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.346 3.424 -6.345 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -2.784 2.607 -6.593 1.00 10.00 H new ATOM 722 N LEU A 54 -3.359 0.181 -4.090 1.00 10.00 N ATOM 723 CA LEU A 54 -2.677 -1.038 -3.767 1.00 10.00 C ATOM 724 C LEU A 54 -3.396 -2.200 -4.377 1.00 10.00 C ATOM 725 O LEU A 54 -4.611 -2.149 -4.580 1.00 10.00 O ATOM 726 CB LEU A 54 -2.475 -1.211 -2.229 1.00 10.00 C ATOM 727 CG LEU A 54 -3.660 -1.604 -1.306 1.00 10.00 C ATOM 728 CD1 LEU A 54 -4.008 -3.102 -1.396 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.333 -1.228 0.133 1.00 10.00 C ATOM 0 H LEU A 54 -4.360 0.077 -4.254 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.675 -0.993 -4.194 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.700 -1.965 -2.092 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -2.075 -0.270 -1.852 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.537 -1.053 -1.646 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.843 -3.322 -0.731 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.285 -3.350 -2.421 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.143 -3.695 -1.100 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -4.166 -1.505 0.780 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.435 -1.757 0.452 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.164 -0.153 0.199 1.00 10.00 H new ATOM 741 N PHE A 55 -2.656 -3.224 -4.670 1.00 10.00 N ATOM 742 CA PHE A 55 -3.177 -4.430 -5.232 1.00 10.00 C ATOM 743 C PHE A 55 -2.636 -5.601 -4.449 1.00 10.00 C ATOM 744 O PHE A 55 -1.426 -5.898 -4.488 1.00 10.00 O ATOM 745 CB PHE A 55 -2.817 -4.561 -6.722 1.00 10.00 C ATOM 746 CG PHE A 55 -3.384 -3.463 -7.582 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.689 -3.527 -8.039 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.614 -2.359 -7.924 1.00 10.00 C ATOM 749 CE1 PHE A 55 -5.215 -2.516 -8.815 1.00 10.00 C ATOM 750 CE2 PHE A 55 -3.136 -1.348 -8.701 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.438 -1.424 -9.144 1.00 10.00 C ATOM 0 H PHE A 55 -1.647 -3.244 -4.521 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.265 -4.410 -5.168 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.732 -4.567 -6.825 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -3.178 -5.521 -7.090 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.302 -4.379 -7.785 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.594 -2.292 -7.577 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -6.235 -2.579 -9.165 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.525 -0.497 -8.962 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.850 -0.630 -9.748 1.00 10.00 H new ATOM 761 N TYR A 56 -3.497 -6.217 -3.692 1.00 10.00 N ATOM 762 CA TYR A 56 -3.144 -7.378 -2.923 1.00 10.00 C ATOM 763 C TYR A 56 -3.567 -8.582 -3.735 1.00 10.00 C ATOM 764 O TYR A 56 -4.770 -8.831 -3.919 1.00 10.00 O ATOM 765 CB TYR A 56 -3.879 -7.338 -1.554 1.00 10.00 C ATOM 766 CG TYR A 56 -3.584 -8.472 -0.545 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.363 -9.797 -0.939 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.579 -8.202 0.808 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.148 -10.800 -0.019 1.00 10.00 C ATOM 770 CE2 TYR A 56 -3.357 -9.205 1.742 1.00 10.00 C ATOM 771 CZ TYR A 56 -3.143 -10.500 1.318 1.00 10.00 C ATOM 772 OH TYR A 56 -2.943 -11.499 2.240 1.00 10.00 O ATOM 0 H TYR A 56 -4.470 -5.927 -3.589 1.00 10.00 H new ATOM 0 HA TYR A 56 -2.074 -7.419 -2.718 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.639 -6.390 -1.072 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.951 -7.334 -1.749 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.361 -10.039 -1.991 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.751 -7.191 1.147 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.985 -11.815 -0.349 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -3.352 -8.972 2.797 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.967 -11.120 3.143 1.00 10.00 H new ATOM 782 N SER A 57 -2.618 -9.304 -4.252 1.00 10.00 N ATOM 783 CA SER A 57 -2.939 -10.441 -5.042 1.00 10.00 C ATOM 784 C SER A 57 -2.286 -11.706 -4.494 1.00 10.00 C ATOM 785 O SER A 57 -1.075 -11.923 -4.662 1.00 10.00 O ATOM 786 CB SER A 57 -2.593 -10.188 -6.513 1.00 10.00 C ATOM 787 OG SER A 57 -1.226 -9.839 -6.686 1.00 10.00 O ATOM 0 H SER A 57 -1.621 -9.122 -4.138 1.00 10.00 H new ATOM 0 HA SER A 57 -4.015 -10.607 -4.987 1.00 10.00 H new ATOM 0 HB2 SER A 57 -2.816 -11.081 -7.097 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.223 -9.388 -6.901 1.00 10.00 H new ATOM 0 HG SER A 57 -1.045 -9.687 -7.637 1.00 10.00 H new ATOM 793 N GLN A 58 -3.086 -12.487 -3.762 1.00 10.00 N ATOM 794 CA GLN A 58 -2.709 -13.796 -3.200 1.00 10.00 C ATOM 795 C GLN A 58 -1.701 -13.654 -2.049 1.00 10.00 C ATOM 796 O GLN A 58 -2.012 -13.934 -0.890 1.00 10.00 O ATOM 797 CB GLN A 58 -2.160 -14.718 -4.305 1.00 10.00 C ATOM 798 CG GLN A 58 -1.930 -16.146 -3.877 1.00 10.00 C ATOM 799 CD GLN A 58 -3.219 -16.844 -3.520 1.00 10.00 C ATOM 800 OE1 GLN A 58 -3.643 -16.849 -2.368 1.00 10.00 O ATOM 801 NE2 GLN A 58 -3.859 -17.412 -4.502 1.00 10.00 N ATOM 0 H GLN A 58 -4.044 -12.221 -3.535 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.608 -14.250 -2.784 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -2.856 -14.712 -5.144 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.219 -14.306 -4.669 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -1.434 -16.690 -4.681 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -1.259 -16.163 -3.019 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -3.473 -17.386 -5.446 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -4.747 -17.883 -4.327 1.00 10.00 H new ATOM 810 N GLY A 59 -0.531 -13.196 -2.378 1.00 10.00 N ATOM 811 CA GLY A 59 0.514 -13.032 -1.413 1.00 10.00 C ATOM 812 C GLY A 59 1.300 -11.776 -1.670 1.00 10.00 C ATOM 813 O GLY A 59 1.707 -11.090 -0.739 1.00 10.00 O ATOM 0 H GLY A 59 -0.273 -12.924 -3.327 1.00 10.00 H new ATOM 0 HA2 GLY A 59 0.085 -12.997 -0.411 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.180 -13.894 -1.445 1.00 10.00 H new ATOM 817 N VAL A 60 1.511 -11.452 -2.933 1.00 10.00 N ATOM 818 CA VAL A 60 2.225 -10.252 -3.260 1.00 10.00 C ATOM 819 C VAL A 60 1.348 -9.031 -3.042 1.00 10.00 C ATOM 820 O VAL A 60 0.257 -8.872 -3.626 1.00 10.00 O ATOM 821 CB VAL A 60 2.906 -10.278 -4.665 1.00 10.00 C ATOM 822 CG1 VAL A 60 1.921 -10.620 -5.774 1.00 10.00 C ATOM 823 CG2 VAL A 60 3.587 -8.951 -4.954 1.00 10.00 C ATOM 0 H VAL A 60 1.199 -12.002 -3.734 1.00 10.00 H new ATOM 0 HA VAL A 60 3.064 -10.187 -2.567 1.00 10.00 H new ATOM 0 HB VAL A 60 3.658 -11.066 -4.642 1.00 10.00 H new ATOM 0 HG11 VAL A 60 2.440 -10.626 -6.732 1.00 10.00 H new ATOM 0 HG12 VAL A 60 1.491 -11.604 -5.588 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.126 -9.875 -5.797 1.00 10.00 H new ATOM 0 HG21 VAL A 60 4.056 -8.989 -5.937 1.00 10.00 H new ATOM 0 HG22 VAL A 60 2.847 -8.151 -4.935 1.00 10.00 H new ATOM 0 HG23 VAL A 60 4.347 -8.760 -4.197 1.00 10.00 H new ATOM 833 N PHE A 61 1.800 -8.230 -2.144 1.00 10.00 N ATOM 834 CA PHE A 61 1.111 -7.066 -1.715 1.00 10.00 C ATOM 835 C PHE A 61 1.803 -5.854 -2.336 1.00 10.00 C ATOM 836 O PHE A 61 2.913 -5.511 -1.947 1.00 10.00 O ATOM 837 CB PHE A 61 1.340 -7.089 -0.231 1.00 10.00 C ATOM 838 CG PHE A 61 0.465 -6.336 0.686 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.698 -5.703 0.287 1.00 10.00 C ATOM 840 CD2 PHE A 61 0.806 -6.340 2.012 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.489 -5.077 1.230 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.043 -5.749 2.941 1.00 10.00 C ATOM 843 CZ PHE A 61 -1.106 -5.114 2.565 1.00 10.00 C ATOM 0 H PHE A 61 2.692 -8.373 -1.671 1.00 10.00 H new ATOM 0 HA PHE A 61 0.056 -7.025 -1.985 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.306 -8.133 0.081 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.358 -6.739 -0.060 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.985 -5.698 -0.754 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.716 -6.834 2.318 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.393 -4.566 0.934 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.335 -5.775 3.981 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.723 -4.636 3.312 1.00 10.00 H new ATOM 853 N PHE A 62 1.179 -5.223 -3.285 1.00 10.00 N ATOM 854 CA PHE A 62 1.799 -4.081 -3.929 1.00 10.00 C ATOM 855 C PHE A 62 1.056 -2.833 -3.531 1.00 10.00 C ATOM 856 O PHE A 62 -0.149 -2.774 -3.679 1.00 10.00 O ATOM 857 CB PHE A 62 1.804 -4.250 -5.455 1.00 10.00 C ATOM 858 CG PHE A 62 2.556 -3.170 -6.187 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.932 -3.235 -6.298 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.894 -2.089 -6.749 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.637 -2.248 -6.955 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.594 -1.105 -7.407 1.00 10.00 C ATOM 863 CZ PHE A 62 3.965 -1.184 -7.509 1.00 10.00 C ATOM 0 H PHE A 62 0.252 -5.467 -3.634 1.00 10.00 H new ATOM 0 HA PHE A 62 2.837 -4.003 -3.606 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.244 -5.216 -5.702 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.774 -4.268 -5.812 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.463 -4.070 -5.864 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.819 -2.019 -6.669 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.712 -2.311 -7.034 1.00 10.00 H new ATOM 0 HE2 PHE A 62 2.068 -0.269 -7.844 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.513 -0.409 -8.025 1.00 10.00 H new ATOM 873 N GLN A 63 1.762 -1.867 -3.012 1.00 10.00 N ATOM 874 CA GLN A 63 1.154 -0.637 -2.542 1.00 10.00 C ATOM 875 C GLN A 63 2.061 0.496 -2.973 1.00 10.00 C ATOM 876 O GLN A 63 3.281 0.412 -2.778 1.00 10.00 O ATOM 877 CB GLN A 63 1.078 -0.691 -0.988 1.00 10.00 C ATOM 878 CG GLN A 63 0.051 0.228 -0.268 1.00 10.00 C ATOM 879 CD GLN A 63 0.219 1.738 -0.439 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.752 2.477 -0.440 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.429 2.210 -0.524 1.00 10.00 N ATOM 0 H GLN A 63 2.775 -1.903 -2.900 1.00 10.00 H new ATOM 0 HA GLN A 63 0.151 -0.498 -2.945 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.862 -1.720 -0.701 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.068 -0.453 -0.598 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.946 -0.042 -0.617 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.087 0.003 0.798 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.226 1.574 -0.521 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.580 3.216 -0.593 1.00 10.00 H new ATOM 890 N TRP A 64 1.519 1.527 -3.553 1.00 10.00 N ATOM 891 CA TRP A 64 2.326 2.665 -3.870 1.00 10.00 C ATOM 892 C TRP A 64 1.525 3.930 -3.629 1.00 10.00 C ATOM 893 O TRP A 64 0.291 3.928 -3.758 1.00 10.00 O ATOM 894 CB TRP A 64 2.909 2.609 -5.298 1.00 10.00 C ATOM 895 CG TRP A 64 2.067 3.037 -6.436 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.322 4.101 -7.242 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.866 2.451 -6.913 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.384 4.190 -8.209 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.464 3.203 -8.026 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.088 1.371 -6.519 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.664 2.909 -8.742 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.049 1.087 -7.234 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.413 1.856 -8.337 1.00 10.00 C ATOM 0 H TRP A 64 0.535 1.602 -3.813 1.00 10.00 H new ATOM 0 HA TRP A 64 3.193 2.662 -3.209 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.811 3.220 -5.309 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.218 1.581 -5.487 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.155 4.778 -7.126 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.367 4.884 -8.956 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.371 0.768 -5.669 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.948 3.497 -9.602 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.670 0.255 -6.937 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.312 1.607 -8.881 1.00 10.00 H new ATOM 914 N LEU A 65 2.191 4.978 -3.254 1.00 10.00 N ATOM 915 CA LEU A 65 1.523 6.223 -2.958 1.00 10.00 C ATOM 916 C LEU A 65 2.189 7.376 -3.650 1.00 10.00 C ATOM 917 O LEU A 65 3.423 7.434 -3.728 1.00 10.00 O ATOM 918 CB LEU A 65 1.449 6.507 -1.445 1.00 10.00 C ATOM 919 CG LEU A 65 2.769 6.467 -0.685 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.721 7.414 0.483 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.054 5.065 -0.170 1.00 10.00 C ATOM 0 H LEU A 65 3.205 5.003 -3.143 1.00 10.00 H new ATOM 0 HA LEU A 65 0.505 6.116 -3.332 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.002 7.491 -1.303 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.772 5.782 -0.993 1.00 10.00 H new ATOM 0 HG LEU A 65 3.561 6.764 -1.372 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.669 7.378 1.020 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.546 8.428 0.123 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.913 7.123 1.154 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.001 5.061 0.369 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.253 4.754 0.501 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.112 4.373 -1.011 1.00 10.00 H new ATOM 933 N GLU A 66 1.381 8.271 -4.147 1.00 10.00 N ATOM 934 CA GLU A 66 1.833 9.468 -4.784 1.00 10.00 C ATOM 935 C GLU A 66 1.541 10.661 -3.861 1.00 10.00 C ATOM 936 O GLU A 66 0.405 10.867 -3.425 1.00 10.00 O ATOM 937 CB GLU A 66 1.170 9.630 -6.176 1.00 10.00 C ATOM 938 CG GLU A 66 -0.320 9.344 -6.239 1.00 10.00 C ATOM 939 CD GLU A 66 -1.010 9.948 -7.457 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.339 10.389 -8.397 1.00 10.00 O ATOM 941 OE2 GLU A 66 -2.274 10.032 -7.463 1.00 10.00 O ATOM 0 H GLU A 66 0.365 8.182 -4.117 1.00 10.00 H new ATOM 0 HA GLU A 66 2.908 9.418 -4.955 1.00 10.00 H new ATOM 0 HB2 GLU A 66 1.339 10.650 -6.521 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.677 8.968 -6.878 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -0.474 8.265 -6.243 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -0.793 9.730 -5.336 1.00 10.00 H new ATOM 948 N GLY A 67 2.557 11.404 -3.542 1.00 10.00 N ATOM 949 CA GLY A 67 2.429 12.480 -2.602 1.00 10.00 C ATOM 950 C GLY A 67 3.675 13.355 -2.631 1.00 10.00 C ATOM 951 O GLY A 67 4.573 13.092 -3.407 1.00 10.00 O ATOM 0 H GLY A 67 3.495 11.284 -3.923 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.550 13.079 -2.841 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.280 12.080 -1.599 1.00 10.00 H new ATOM 955 N HIS A 68 3.710 14.412 -1.852 1.00 10.00 N ATOM 956 CA HIS A 68 4.933 15.229 -1.724 1.00 10.00 C ATOM 957 C HIS A 68 6.024 14.409 -0.978 1.00 10.00 C ATOM 958 O HIS A 68 5.754 13.884 0.073 1.00 10.00 O ATOM 959 CB HIS A 68 4.607 16.524 -0.957 1.00 10.00 C ATOM 960 CG HIS A 68 5.763 17.342 -0.574 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.376 17.259 0.655 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.414 18.228 -1.258 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.385 18.078 0.687 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.435 18.691 -0.471 1.00 10.00 N ATOM 0 H HIS A 68 2.921 14.739 -1.294 1.00 10.00 H new ATOM 0 HA HIS A 68 5.309 15.495 -2.712 1.00 10.00 H new ATOM 0 HB2 HIS A 68 3.942 17.131 -1.571 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.055 16.261 -0.054 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.192 18.545 -2.266 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.060 18.227 1.517 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.121 19.396 -0.741 1.00 10.00 H new ATOM 973 N PRO A 69 7.286 14.353 -1.529 1.00 10.00 N ATOM 974 CA PRO A 69 8.421 13.504 -1.063 1.00 10.00 C ATOM 975 C PRO A 69 8.526 13.248 0.434 1.00 10.00 C ATOM 976 O PRO A 69 8.604 12.100 0.863 1.00 10.00 O ATOM 977 CB PRO A 69 9.662 14.256 -1.556 1.00 10.00 C ATOM 978 CG PRO A 69 9.145 15.434 -2.317 1.00 10.00 C ATOM 979 CD PRO A 69 7.731 15.121 -2.667 1.00 10.00 C ATOM 0 HA PRO A 69 8.288 12.497 -1.458 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.286 14.573 -0.720 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.279 13.620 -2.191 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.205 16.341 -1.716 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.738 15.607 -3.215 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.138 16.025 -2.803 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.660 14.551 -3.593 1.00 10.00 H new ATOM 987 N ALA A 70 8.530 14.282 1.225 1.00 10.00 N ATOM 988 CA ALA A 70 8.689 14.092 2.651 1.00 10.00 C ATOM 989 C ALA A 70 7.514 13.447 3.298 1.00 10.00 C ATOM 990 O ALA A 70 7.675 12.746 4.277 1.00 10.00 O ATOM 991 CB ALA A 70 9.081 15.333 3.354 1.00 10.00 C ATOM 0 H ALA A 70 8.428 15.251 0.922 1.00 10.00 H new ATOM 0 HA ALA A 70 9.518 13.391 2.749 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.185 15.130 4.420 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.031 15.691 2.958 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.315 16.094 3.203 1.00 10.00 H new ATOM 997 N ALA A 71 6.367 13.641 2.747 1.00 10.00 N ATOM 998 CA ALA A 71 5.191 13.007 3.259 1.00 10.00 C ATOM 999 C ALA A 71 5.315 11.536 3.033 1.00 10.00 C ATOM 1000 O ALA A 71 5.055 10.725 3.912 1.00 10.00 O ATOM 1001 CB ALA A 71 4.022 13.482 2.513 1.00 10.00 C ATOM 0 H ALA A 71 6.212 14.238 1.935 1.00 10.00 H new ATOM 0 HA ALA A 71 5.079 13.234 4.319 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.124 13.001 2.900 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.933 14.562 2.626 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.139 13.236 1.458 1.00 10.00 H new ATOM 1007 N VAL A 72 5.765 11.226 1.835 1.00 10.00 N ATOM 1008 CA VAL A 72 5.979 9.880 1.379 1.00 10.00 C ATOM 1009 C VAL A 72 6.964 9.224 2.305 1.00 10.00 C ATOM 1010 O VAL A 72 6.741 8.138 2.762 1.00 10.00 O ATOM 1011 CB VAL A 72 6.593 9.861 -0.042 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.410 8.548 -0.685 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.042 10.937 -0.908 1.00 10.00 C ATOM 0 H VAL A 72 5.997 11.930 1.135 1.00 10.00 H new ATOM 0 HA VAL A 72 5.020 9.362 1.362 1.00 10.00 H new ATOM 0 HB VAL A 72 7.660 10.047 0.079 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.852 8.566 -1.681 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.897 7.779 -0.086 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.346 8.327 -0.764 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.503 10.882 -1.894 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.964 10.810 -1.004 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.255 11.908 -0.461 1.00 10.00 H new ATOM 1023 N ALA A 73 8.041 9.929 2.596 1.00 10.00 N ATOM 1024 CA ALA A 73 9.093 9.423 3.450 1.00 10.00 C ATOM 1025 C ALA A 73 8.688 9.302 4.901 1.00 10.00 C ATOM 1026 O ALA A 73 9.159 8.413 5.597 1.00 10.00 O ATOM 1027 CB ALA A 73 10.295 10.258 3.368 1.00 10.00 C ATOM 0 H ALA A 73 8.209 10.872 2.244 1.00 10.00 H new ATOM 0 HA ALA A 73 9.302 8.421 3.076 1.00 10.00 H new ATOM 0 HB1 ALA A 73 11.066 9.851 4.022 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.659 10.271 2.341 1.00 10.00 H new ATOM 0 HB3 ALA A 73 10.054 11.274 3.681 1.00 10.00 H new ATOM 1033 N GLU A 74 7.885 10.215 5.371 1.00 10.00 N ATOM 1034 CA GLU A 74 7.353 10.144 6.730 1.00 10.00 C ATOM 1035 C GLU A 74 6.478 8.886 6.793 1.00 10.00 C ATOM 1036 O GLU A 74 6.567 8.077 7.725 1.00 10.00 O ATOM 1037 CB GLU A 74 6.586 11.454 7.028 1.00 10.00 C ATOM 1038 CG GLU A 74 6.265 11.754 8.491 1.00 10.00 C ATOM 1039 CD GLU A 74 5.196 10.885 9.073 1.00 10.00 C ATOM 1040 OE1 GLU A 74 4.046 10.984 8.631 1.00 10.00 O ATOM 1041 OE2 GLU A 74 5.476 10.131 10.011 1.00 10.00 O ATOM 0 H GLU A 74 7.575 11.028 4.839 1.00 10.00 H new ATOM 0 HA GLU A 74 8.125 10.061 7.495 1.00 10.00 H new ATOM 0 HB2 GLU A 74 7.169 12.285 6.632 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.648 11.431 6.474 1.00 10.00 H new ATOM 0 HG2 GLU A 74 7.174 11.639 9.082 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.958 12.796 8.578 1.00 10.00 H new ATOM 1048 N VAL A 75 5.702 8.695 5.745 1.00 10.00 N ATOM 1049 CA VAL A 75 4.941 7.489 5.543 1.00 10.00 C ATOM 1050 C VAL A 75 5.884 6.263 5.460 1.00 10.00 C ATOM 1051 O VAL A 75 5.607 5.237 6.066 1.00 10.00 O ATOM 1052 CB VAL A 75 4.044 7.616 4.278 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.546 6.276 3.807 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.860 8.524 4.571 1.00 10.00 C ATOM 0 H VAL A 75 5.584 9.385 5.003 1.00 10.00 H new ATOM 0 HA VAL A 75 4.281 7.339 6.398 1.00 10.00 H new ATOM 0 HB VAL A 75 4.655 8.046 3.484 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.924 6.410 2.922 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.395 5.638 3.561 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.958 5.808 4.597 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.237 8.608 3.681 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.272 8.104 5.387 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.221 9.512 4.856 1.00 10.00 H new ATOM 1064 N MET A 76 6.986 6.384 4.707 1.00 10.00 N ATOM 1065 CA MET A 76 8.010 5.357 4.636 1.00 10.00 C ATOM 1066 C MET A 76 8.538 5.018 6.004 1.00 10.00 C ATOM 1067 O MET A 76 8.601 3.864 6.353 1.00 10.00 O ATOM 1068 CB MET A 76 9.153 5.764 3.696 1.00 10.00 C ATOM 1069 CG MET A 76 8.781 5.988 2.241 1.00 10.00 C ATOM 1070 SD MET A 76 8.456 4.529 1.241 1.00 10.00 S ATOM 1071 CE MET A 76 6.995 3.875 1.998 1.00 10.00 C ATOM 0 H MET A 76 7.184 7.203 4.132 1.00 10.00 H new ATOM 0 HA MET A 76 7.543 4.463 4.223 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.601 6.681 4.079 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.921 4.992 3.738 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.894 6.621 2.213 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.588 6.548 1.769 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.399 3.355 1.249 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.275 3.177 2.787 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.411 4.690 2.425 1.00 10.00 H new ATOM 1081 N SER A 77 8.891 6.019 6.767 1.00 10.00 N ATOM 1082 CA SER A 77 9.369 5.826 8.138 1.00 10.00 C ATOM 1083 C SER A 77 8.324 5.060 9.001 1.00 10.00 C ATOM 1084 O SER A 77 8.688 4.239 9.850 1.00 10.00 O ATOM 1085 CB SER A 77 9.745 7.175 8.738 1.00 10.00 C ATOM 1086 OG SER A 77 10.718 7.826 7.918 1.00 10.00 O ATOM 0 H SER A 77 8.861 6.994 6.470 1.00 10.00 H new ATOM 0 HA SER A 77 10.262 5.201 8.124 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.857 7.801 8.828 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.141 7.036 9.744 1.00 10.00 H new ATOM 0 HG SER A 77 10.292 8.143 7.094 1.00 10.00 H new ATOM 1092 N HIS A 78 7.040 5.335 8.782 1.00 10.00 N ATOM 1093 CA HIS A 78 5.969 4.513 9.398 1.00 10.00 C ATOM 1094 C HIS A 78 6.084 3.070 8.907 1.00 10.00 C ATOM 1095 O HIS A 78 6.279 2.124 9.665 1.00 10.00 O ATOM 1096 CB HIS A 78 4.554 4.984 8.968 1.00 10.00 C ATOM 1097 CG HIS A 78 3.981 6.168 9.644 1.00 10.00 C ATOM 1098 ND1 HIS A 78 2.922 6.075 10.514 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.236 7.465 9.512 1.00 10.00 C ATOM 1100 CE1 HIS A 78 2.559 7.277 10.881 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.345 8.141 10.284 1.00 10.00 N ATOM 0 H HIS A 78 6.707 6.102 8.197 1.00 10.00 H new ATOM 0 HA HIS A 78 6.091 4.605 10.477 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.582 5.191 7.898 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.866 4.151 9.114 1.00 10.00 H new ATOM 0 HD2 HIS A 78 5.012 7.903 8.901 1.00 10.00 H new ATOM 0 HE1 HIS A 78 1.752 7.516 11.558 1.00 10.00 H new ATOM 0 HE2 HIS A 78 3.295 9.155 10.383 1.00 10.00 H new ATOM 1110 N ILE A 79 5.994 2.968 7.619 1.00 10.00 N ATOM 1111 CA ILE A 79 5.878 1.753 6.867 1.00 10.00 C ATOM 1112 C ILE A 79 7.069 0.767 6.965 1.00 10.00 C ATOM 1113 O ILE A 79 6.863 -0.437 7.130 1.00 10.00 O ATOM 1114 CB ILE A 79 5.532 2.141 5.414 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.023 2.343 5.244 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.148 1.260 4.375 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.609 2.718 3.852 1.00 10.00 C ATOM 0 H ILE A 79 6.000 3.792 7.018 1.00 10.00 H new ATOM 0 HA ILE A 79 5.080 1.163 7.318 1.00 10.00 H new ATOM 0 HB ILE A 79 6.006 3.105 5.230 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.510 1.425 5.529 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.691 3.121 5.932 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.852 1.605 3.384 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.234 1.298 4.463 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.808 0.235 4.519 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.527 2.843 3.815 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.092 3.653 3.568 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.907 1.931 3.159 1.00 10.00 H new ATOM 1129 N GLN A 80 8.259 1.263 6.801 1.00 10.00 N ATOM 1130 CA GLN A 80 9.479 0.487 6.846 1.00 10.00 C ATOM 1131 C GLN A 80 9.793 -0.129 8.206 1.00 10.00 C ATOM 1132 O GLN A 80 10.600 -1.028 8.289 1.00 10.00 O ATOM 1133 CB GLN A 80 10.624 1.348 6.323 1.00 10.00 C ATOM 1134 CG GLN A 80 10.399 1.780 4.877 1.00 10.00 C ATOM 1135 CD GLN A 80 10.395 0.630 3.979 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.406 0.244 3.423 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.309 0.056 3.842 1.00 10.00 N ATOM 0 H GLN A 80 8.421 2.255 6.625 1.00 10.00 H new ATOM 0 HA GLN A 80 9.338 -0.381 6.202 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.731 2.231 6.953 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.558 0.791 6.394 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.451 2.311 4.796 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.181 2.477 4.577 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.482 0.408 4.324 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.240 -0.770 3.247 1.00 10.00 H new ATOM 1146 N ARG A 81 9.158 0.335 9.259 1.00 10.00 N ATOM 1147 CA ARG A 81 9.368 -0.261 10.579 1.00 10.00 C ATOM 1148 C ARG A 81 8.242 -1.252 10.917 1.00 10.00 C ATOM 1149 O ARG A 81 8.024 -1.591 12.091 1.00 10.00 O ATOM 1150 CB ARG A 81 9.391 0.817 11.633 1.00 10.00 C ATOM 1151 CG ARG A 81 10.405 1.901 11.413 1.00 10.00 C ATOM 1152 CD ARG A 81 10.285 2.939 12.500 1.00 10.00 C ATOM 1153 NE ARG A 81 8.901 3.426 12.615 1.00 10.00 N ATOM 1154 CZ ARG A 81 8.203 3.482 13.765 1.00 10.00 C ATOM 1155 NH1 ARG A 81 8.808 3.263 14.923 1.00 10.00 N ATOM 1156 NH2 ARG A 81 6.915 3.791 13.757 1.00 10.00 N ATOM 0 H ARG A 81 8.498 1.113 9.239 1.00 10.00 H new ATOM 0 HA ARG A 81 10.321 -0.790 10.560 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.402 1.272 11.687 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.582 0.353 12.601 1.00 10.00 H new ATOM 0 HG2 ARG A 81 11.409 1.477 11.411 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.252 2.363 10.438 1.00 10.00 H new ATOM 0 HD2 ARG A 81 10.604 2.513 13.451 1.00 10.00 H new ATOM 0 HD3 ARG A 81 10.951 3.774 12.285 1.00 10.00 H new ATOM 0 HE ARG A 81 8.438 3.743 11.763 1.00 10.00 H new ATOM 0 HH11 ARG A 81 9.806 3.051 14.945 1.00 10.00 H new ATOM 0 HH12 ARG A 81 8.276 3.306 15.792 1.00 10.00 H new ATOM 0 HH21 ARG A 81 6.444 3.989 12.874 1.00 10.00 H new ATOM 0 HH22 ARG A 81 6.395 3.831 14.633 1.00 10.00 H new ATOM 1170 N ASP A 82 7.545 -1.722 9.903 1.00 10.00 N ATOM 1171 CA ASP A 82 6.411 -2.625 10.105 1.00 10.00 C ATOM 1172 C ASP A 82 6.882 -4.100 10.211 1.00 10.00 C ATOM 1173 O ASP A 82 8.003 -4.375 10.645 1.00 10.00 O ATOM 1174 CB ASP A 82 5.397 -2.457 8.972 1.00 10.00 C ATOM 1175 CG ASP A 82 4.032 -3.055 9.242 1.00 10.00 C ATOM 1176 OD1 ASP A 82 3.247 -2.467 9.953 1.00 10.00 O ATOM 1177 OD2 ASP A 82 3.755 -4.140 8.690 1.00 10.00 O ATOM 0 H ASP A 82 7.738 -1.498 8.927 1.00 10.00 H new ATOM 0 HA ASP A 82 5.928 -2.365 11.047 1.00 10.00 H new ATOM 0 HB2 ASP A 82 5.277 -1.393 8.767 1.00 10.00 H new ATOM 0 HB3 ASP A 82 5.804 -2.912 8.069 1.00 10.00 H new ATOM 1182 N ARG A 83 6.034 -5.024 9.781 1.00 10.00 N ATOM 1183 CA ARG A 83 6.169 -6.441 10.036 1.00 10.00 C ATOM 1184 C ARG A 83 5.164 -7.246 9.182 1.00 10.00 C ATOM 1185 O ARG A 83 5.518 -8.258 8.575 1.00 10.00 O ATOM 1186 CB ARG A 83 5.869 -6.662 11.538 1.00 10.00 C ATOM 1187 CG ARG A 83 4.663 -5.837 12.016 1.00 10.00 C ATOM 1188 CD ARG A 83 4.336 -6.025 13.481 1.00 10.00 C ATOM 1189 NE ARG A 83 3.362 -5.016 13.921 1.00 10.00 N ATOM 1190 CZ ARG A 83 2.155 -5.248 14.455 1.00 10.00 C ATOM 1191 NH1 ARG A 83 1.683 -6.487 14.554 1.00 10.00 N ATOM 1192 NH2 ARG A 83 1.404 -4.222 14.848 1.00 10.00 N ATOM 0 H ARG A 83 5.208 -4.795 9.228 1.00 10.00 H new ATOM 0 HA ARG A 83 7.172 -6.779 9.778 1.00 10.00 H new ATOM 0 HB2 ARG A 83 5.677 -7.720 11.717 1.00 10.00 H new ATOM 0 HB3 ARG A 83 6.747 -6.393 12.126 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.860 -4.781 11.830 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.791 -6.108 11.421 1.00 10.00 H new ATOM 0 HD2 ARG A 83 3.933 -7.025 13.645 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.246 -5.946 14.076 1.00 10.00 H new ATOM 0 HE ARG A 83 3.633 -4.039 13.808 1.00 10.00 H new ATOM 0 HH11 ARG A 83 2.241 -7.273 14.222 1.00 10.00 H new ATOM 0 HH12 ARG A 83 0.763 -6.651 14.962 1.00 10.00 H new ATOM 0 HH21 ARG A 83 1.748 -3.268 14.742 1.00 10.00 H new ATOM 0 HH22 ARG A 83 0.484 -4.390 15.255 1.00 10.00 H new ATOM 1206 N ARG A 84 3.934 -6.741 9.083 1.00 10.00 N ATOM 1207 CA ARG A 84 2.855 -7.464 8.455 1.00 10.00 C ATOM 1208 C ARG A 84 2.684 -7.228 6.950 1.00 10.00 C ATOM 1209 O ARG A 84 2.066 -8.001 6.254 1.00 10.00 O ATOM 1210 CB ARG A 84 1.563 -7.464 9.283 1.00 10.00 C ATOM 1211 CG ARG A 84 1.144 -6.154 9.976 1.00 10.00 C ATOM 1212 CD ARG A 84 0.830 -5.017 9.029 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.321 -4.260 9.512 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.415 -2.937 9.682 1.00 10.00 C ATOM 1215 NH1 ARG A 84 0.660 -2.156 9.727 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -1.601 -2.422 9.909 1.00 10.00 N ATOM 0 H ARG A 84 3.670 -5.822 9.438 1.00 10.00 H new ATOM 0 HA ARG A 84 3.181 -8.504 8.466 1.00 10.00 H new ATOM 0 HB2 ARG A 84 0.747 -7.770 8.628 1.00 10.00 H new ATOM 0 HB3 ARG A 84 1.660 -8.231 10.051 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.267 -6.349 10.594 1.00 10.00 H new ATOM 0 HG3 ARG A 84 1.944 -5.841 10.647 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.695 -4.360 8.939 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.624 -5.410 8.033 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.151 -4.804 9.747 1.00 10.00 H new ATOM 0 HH11 ARG A 84 1.590 -2.563 9.631 1.00 10.00 H new ATOM 0 HH12 ARG A 84 0.554 -1.150 9.858 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -2.420 -3.028 9.952 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.703 -1.416 10.043 1.00 10.00 H new ATOM 1230 N HIS A 85 3.212 -6.183 6.451 1.00 10.00 N ATOM 1231 CA HIS A 85 3.389 -6.087 5.019 1.00 10.00 C ATOM 1232 C HIS A 85 4.757 -6.554 4.751 1.00 10.00 C ATOM 1233 O HIS A 85 5.688 -5.784 4.609 1.00 10.00 O ATOM 1234 CB HIS A 85 3.038 -4.752 4.336 1.00 10.00 C ATOM 1235 CG HIS A 85 3.669 -3.495 4.846 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.541 -2.307 4.197 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.382 -3.218 5.955 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.144 -1.395 4.877 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.654 -1.907 5.933 1.00 10.00 N ATOM 0 H HIS A 85 3.534 -5.377 6.987 1.00 10.00 H new ATOM 0 HA HIS A 85 2.634 -6.715 4.545 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.292 -4.844 3.280 1.00 10.00 H new ATOM 0 HB3 HIS A 85 1.957 -4.626 4.394 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.679 -3.922 6.719 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.210 -0.354 4.598 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.182 -1.399 6.643 1.00 10.00 H new ATOM 1248 N SER A 86 4.804 -7.839 4.661 1.00 10.00 N ATOM 1249 CA SER A 86 5.948 -8.703 4.813 1.00 10.00 C ATOM 1250 C SER A 86 7.346 -8.068 4.854 1.00 10.00 C ATOM 1251 O SER A 86 8.010 -8.104 5.880 1.00 10.00 O ATOM 1252 CB SER A 86 5.812 -9.916 3.940 1.00 10.00 C ATOM 1253 OG SER A 86 6.553 -11.016 4.438 1.00 10.00 O ATOM 0 H SER A 86 3.960 -8.375 4.459 1.00 10.00 H new ATOM 0 HA SER A 86 5.907 -9.025 5.854 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.760 -10.192 3.865 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.152 -9.677 2.932 1.00 10.00 H new ATOM 0 HG SER A 86 6.436 -11.785 3.842 1.00 10.00 H new ATOM 1259 N ASN A 87 7.753 -7.479 3.791 1.00 10.00 N ATOM 1260 CA ASN A 87 9.114 -6.906 3.724 1.00 10.00 C ATOM 1261 C ASN A 87 9.103 -5.440 3.474 1.00 10.00 C ATOM 1262 O ASN A 87 10.042 -4.734 3.807 1.00 10.00 O ATOM 1263 CB ASN A 87 9.991 -7.536 2.646 1.00 10.00 C ATOM 1264 CG ASN A 87 10.000 -9.033 2.590 1.00 10.00 C ATOM 1265 OD1 ASN A 87 9.829 -9.736 3.589 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.193 -9.541 1.404 1.00 10.00 N ATOM 0 H ASN A 87 7.196 -7.364 2.945 1.00 10.00 H new ATOM 0 HA ASN A 87 9.532 -7.125 4.706 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.665 -7.159 1.676 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.015 -7.193 2.794 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.206 -10.553 1.279 1.00 10.00 H new ATOM 0 HD22 ASN A 87 10.331 -8.926 0.602 1.00 10.00 H new ATOM 1273 N VAL A 88 8.019 -5.011 2.967 1.00 10.00 N ATOM 1274 CA VAL A 88 7.846 -3.720 2.407 1.00 10.00 C ATOM 1275 C VAL A 88 9.030 -3.154 1.648 1.00 10.00 C ATOM 1276 O VAL A 88 9.691 -2.198 2.069 1.00 10.00 O ATOM 1277 CB VAL A 88 7.052 -2.737 3.278 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.629 -2.486 4.629 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.774 -1.456 2.588 1.00 10.00 C ATOM 0 H VAL A 88 7.173 -5.579 2.925 1.00 10.00 H new ATOM 0 HA VAL A 88 7.157 -3.904 1.582 1.00 10.00 H new ATOM 0 HB VAL A 88 6.107 -3.254 3.445 1.00 10.00 H new ATOM 0 HG11 VAL A 88 6.998 -1.779 5.168 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.680 -3.423 5.183 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.632 -2.071 4.525 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.210 -0.800 3.251 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.715 -0.977 2.318 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.192 -1.647 1.686 1.00 10.00 H new ATOM 1289 N GLU A 89 9.304 -3.795 0.549 1.00 10.00 N ATOM 1290 CA GLU A 89 10.379 -3.410 -0.307 1.00 10.00 C ATOM 1291 C GLU A 89 9.921 -2.361 -1.245 1.00 10.00 C ATOM 1292 O GLU A 89 9.305 -2.674 -2.259 1.00 10.00 O ATOM 1293 CB GLU A 89 10.873 -4.592 -1.092 1.00 10.00 C ATOM 1294 CG GLU A 89 11.569 -5.609 -0.252 1.00 10.00 C ATOM 1295 CD GLU A 89 11.660 -6.945 -0.924 1.00 10.00 C ATOM 1296 OE1 GLU A 89 12.602 -7.180 -1.683 1.00 10.00 O ATOM 1297 OE2 GLU A 89 10.767 -7.799 -0.719 1.00 10.00 O ATOM 0 H GLU A 89 8.780 -4.607 0.222 1.00 10.00 H new ATOM 0 HA GLU A 89 11.192 -3.025 0.309 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.029 -5.063 -1.596 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.554 -4.245 -1.869 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.573 -5.255 -0.017 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.039 -5.718 0.694 1.00 10.00 H new ATOM 1304 N ILE A 90 10.080 -1.128 -0.824 1.00 10.00 N ATOM 1305 CA ILE A 90 9.861 0.039 -1.667 1.00 10.00 C ATOM 1306 C ILE A 90 10.609 -0.199 -2.935 1.00 10.00 C ATOM 1307 O ILE A 90 10.045 -0.608 -3.929 1.00 10.00 O ATOM 1308 CB ILE A 90 10.346 1.371 -0.975 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.085 1.354 0.521 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.681 2.614 -1.570 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.659 1.132 0.890 1.00 10.00 C ATOM 0 H ILE A 90 10.369 -0.897 0.126 1.00 10.00 H new ATOM 0 HA ILE A 90 8.795 0.169 -1.853 1.00 10.00 H new ATOM 0 HB ILE A 90 11.419 1.422 -1.160 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.692 0.571 0.975 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.415 2.301 0.947 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.049 3.504 -1.059 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.919 2.681 -2.632 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.601 2.544 -1.444 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.559 1.134 1.975 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.046 1.928 0.468 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.327 0.171 0.497 1.00 10.00 H new ATOM 1323 N LEU A 91 11.866 -0.029 -2.857 1.00 10.00 N ATOM 1324 CA LEU A 91 12.826 -0.271 -3.933 1.00 10.00 C ATOM 1325 C LEU A 91 12.555 0.541 -5.223 1.00 10.00 C ATOM 1326 O LEU A 91 13.318 0.456 -6.184 1.00 10.00 O ATOM 1327 CB LEU A 91 12.972 -1.777 -4.226 1.00 10.00 C ATOM 1328 CG LEU A 91 13.465 -2.652 -3.052 1.00 10.00 C ATOM 1329 CD1 LEU A 91 13.622 -4.085 -3.501 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.784 -2.133 -2.495 1.00 10.00 C ATOM 0 H LEU A 91 12.313 0.302 -2.002 1.00 10.00 H new ATOM 0 HA LEU A 91 13.780 0.101 -3.561 1.00 10.00 H new ATOM 0 HB2 LEU A 91 12.005 -2.158 -4.556 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.664 -1.899 -5.059 1.00 10.00 H new ATOM 0 HG LEU A 91 12.719 -2.604 -2.259 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.970 -4.692 -2.665 1.00 10.00 H new ATOM 0 HD12 LEU A 91 12.662 -4.464 -3.850 1.00 10.00 H new ATOM 0 HD13 LEU A 91 14.348 -4.135 -4.312 1.00 10.00 H new ATOM 0 HD21 LEU A 91 15.106 -2.769 -1.670 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.540 -2.146 -3.280 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.651 -1.112 -2.136 1.00 10.00 H new ATOM 1342 N ALA A 92 11.454 1.272 -5.261 1.00 10.00 N ATOM 1343 CA ALA A 92 11.160 2.160 -6.357 1.00 10.00 C ATOM 1344 C ALA A 92 10.634 3.443 -5.809 1.00 10.00 C ATOM 1345 O ALA A 92 9.570 3.472 -5.193 1.00 10.00 O ATOM 1346 CB ALA A 92 10.135 1.562 -7.303 1.00 10.00 C ATOM 0 H ALA A 92 10.743 1.262 -4.530 1.00 10.00 H new ATOM 0 HA ALA A 92 12.079 2.327 -6.920 1.00 10.00 H new ATOM 0 HB1 ALA A 92 9.939 2.261 -8.116 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.519 0.627 -7.712 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.209 1.368 -6.761 1.00 10.00 H new ATOM 1352 N GLU A 93 11.376 4.480 -5.981 1.00 10.00 N ATOM 1353 CA GLU A 93 10.981 5.778 -5.531 1.00 10.00 C ATOM 1354 C GLU A 93 11.211 6.728 -6.689 1.00 10.00 C ATOM 1355 O GLU A 93 12.360 6.970 -7.092 1.00 10.00 O ATOM 1356 CB GLU A 93 11.843 6.185 -4.327 1.00 10.00 C ATOM 1357 CG GLU A 93 11.878 5.162 -3.213 1.00 10.00 C ATOM 1358 CD GLU A 93 13.006 5.397 -2.252 1.00 10.00 C ATOM 1359 OE1 GLU A 93 14.176 5.190 -2.645 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.767 5.788 -1.096 1.00 10.00 O ATOM 0 H GLU A 93 12.285 4.456 -6.443 1.00 10.00 H new ATOM 0 HA GLU A 93 9.937 5.795 -5.220 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.862 6.367 -4.669 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.467 7.127 -3.928 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.932 5.187 -2.671 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.973 4.165 -3.643 1.00 10.00 H new ATOM 1367 N GLU A 94 10.155 7.223 -7.254 1.00 10.00 N ATOM 1368 CA GLU A 94 10.262 8.103 -8.396 1.00 10.00 C ATOM 1369 C GLU A 94 9.595 9.432 -8.134 1.00 10.00 C ATOM 1370 O GLU A 94 8.566 9.494 -7.454 1.00 10.00 O ATOM 1371 CB GLU A 94 9.699 7.446 -9.675 1.00 10.00 C ATOM 1372 CG GLU A 94 8.296 6.862 -9.532 1.00 10.00 C ATOM 1373 CD GLU A 94 7.741 6.345 -10.838 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.313 5.386 -11.404 1.00 10.00 O ATOM 1375 OE2 GLU A 94 6.691 6.850 -11.303 1.00 10.00 O ATOM 0 H GLU A 94 9.200 7.037 -6.948 1.00 10.00 H new ATOM 0 HA GLU A 94 11.324 8.289 -8.559 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.688 8.188 -10.473 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.377 6.652 -9.987 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.318 6.050 -8.805 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.628 7.627 -9.136 1.00 10.00 H new ATOM 1382 N SER A 95 10.182 10.481 -8.647 1.00 10.00 N ATOM 1383 CA SER A 95 9.638 11.794 -8.516 1.00 10.00 C ATOM 1384 C SER A 95 8.538 11.946 -9.540 1.00 10.00 C ATOM 1385 O SER A 95 8.710 11.598 -10.716 1.00 10.00 O ATOM 1386 CB SER A 95 10.731 12.854 -8.685 1.00 10.00 C ATOM 1387 OG SER A 95 10.226 14.181 -8.562 1.00 10.00 O ATOM 0 H SER A 95 11.057 10.441 -9.170 1.00 10.00 H new ATOM 0 HA SER A 95 9.223 11.938 -7.519 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.508 12.693 -7.937 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.200 12.736 -9.662 1.00 10.00 H new ATOM 0 HG SER A 95 9.394 14.168 -8.045 1.00 10.00 H new ATOM 1393 N ILE A 96 7.417 12.401 -9.099 1.00 10.00 N ATOM 1394 CA ILE A 96 6.256 12.496 -9.949 1.00 10.00 C ATOM 1395 C ILE A 96 5.618 13.851 -9.961 1.00 10.00 C ATOM 1396 O ILE A 96 6.061 14.769 -9.284 1.00 10.00 O ATOM 1397 CB ILE A 96 5.199 11.516 -9.530 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.841 11.739 -8.092 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.694 10.106 -9.762 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.557 11.185 -7.687 1.00 10.00 C ATOM 0 H ILE A 96 7.267 12.720 -8.142 1.00 10.00 H new ATOM 0 HA ILE A 96 6.633 12.280 -10.948 1.00 10.00 H new ATOM 0 HB ILE A 96 4.300 11.664 -10.128 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.621 11.305 -7.467 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.836 12.811 -7.896 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.925 9.396 -9.457 1.00 10.00 H new ATOM 0 HG22 ILE A 96 5.917 9.968 -10.820 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.597 9.937 -9.176 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.386 11.397 -6.631 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.762 11.637 -8.281 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.560 10.107 -7.845 1.00 10.00 H new ATOM 1412 N ALA A 97 4.569 13.960 -10.757 1.00 10.00 N ATOM 1413 CA ALA A 97 3.741 15.149 -10.788 1.00 10.00 C ATOM 1414 C ALA A 97 2.454 14.890 -10.139 1.00 10.00 C ATOM 1415 O ALA A 97 1.611 15.779 -9.998 1.00 10.00 O ATOM 1416 CB ALA A 97 3.479 15.599 -12.154 1.00 10.00 C ATOM 0 H ALA A 97 4.269 13.226 -11.399 1.00 10.00 H new ATOM 0 HA ALA A 97 4.290 15.927 -10.258 1.00 10.00 H new ATOM 0 HB1 ALA A 97 2.855 16.492 -12.129 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.423 15.829 -12.649 1.00 10.00 H new ATOM 0 HB3 ALA A 97 2.964 14.812 -12.704 1.00 10.00 H new ATOM 1422 N LYS A 98 2.339 13.690 -9.726 1.00 10.00 N ATOM 1423 CA LYS A 98 1.211 13.161 -9.111 1.00 10.00 C ATOM 1424 C LYS A 98 -0.042 13.320 -9.986 1.00 10.00 C ATOM 1425 O LYS A 98 0.071 13.489 -11.214 1.00 10.00 O ATOM 1426 CB LYS A 98 1.175 13.813 -7.779 1.00 10.00 C ATOM 1427 CG LYS A 98 0.360 13.188 -6.770 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.778 14.028 -6.351 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.534 14.451 -4.972 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.698 15.147 -4.373 1.00 10.00 N ATOM 0 H LYS A 98 3.092 13.009 -9.821 1.00 10.00 H new ATOM 0 HA LYS A 98 1.244 12.080 -8.977 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.196 13.871 -7.402 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.825 14.837 -7.912 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.016 12.238 -7.151 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.977 12.961 -5.901 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.875 14.894 -7.005 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.712 13.470 -6.420 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.287 13.579 -4.367 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.332 15.112 -4.947 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.780 14.885 -3.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.566 16.176 -4.453 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.565 14.869 -4.876 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.194 13.139 -9.383 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.488 13.274 -10.030 1.00 10.00 C ATOM 1446 C ARG A 99 -2.801 12.057 -10.848 1.00 10.00 C ATOM 1447 O ARG A 99 -3.565 12.114 -11.803 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.627 14.583 -10.854 1.00 10.00 C ATOM 1449 CG ARG A 99 -2.689 15.858 -10.023 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.879 15.857 -9.067 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.171 15.676 -9.761 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.299 16.354 -9.485 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.292 17.358 -8.606 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -7.419 16.034 -10.105 1.00 10.00 N ATOM 0 H ARG A 99 -1.264 12.886 -8.397 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.232 13.351 -9.237 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.784 14.654 -11.541 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -3.529 14.519 -11.462 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -1.766 15.965 -9.453 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -2.757 16.721 -10.686 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -3.750 15.060 -8.335 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.897 16.797 -8.515 1.00 10.00 H new ATOM 0 HE ARG A 99 -5.210 14.982 -10.508 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -5.425 17.618 -8.136 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -7.154 17.865 -8.404 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -7.425 15.277 -10.788 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -8.279 16.544 -9.901 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.269 10.940 -10.429 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.498 9.716 -11.115 1.00 10.00 C ATOM 1470 C ARG A 100 -3.729 9.016 -10.567 1.00 10.00 C ATOM 1471 O ARG A 100 -4.607 8.620 -11.335 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.253 8.849 -11.077 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.078 9.563 -11.714 1.00 10.00 C ATOM 1474 CD ARG A 100 1.221 8.774 -11.643 1.00 10.00 C ATOM 1475 NE ARG A 100 2.304 9.501 -12.325 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.602 9.157 -12.373 1.00 10.00 C ATOM 1477 NH1 ARG A 100 4.039 8.032 -11.794 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.463 9.956 -13.001 1.00 10.00 N ATOM 0 H ARG A 100 -1.670 10.862 -9.607 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.704 9.923 -12.165 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.013 8.595 -10.045 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.441 7.912 -11.600 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.312 9.770 -12.758 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.063 10.525 -11.222 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.491 8.600 -10.601 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.085 7.796 -12.104 1.00 10.00 H new ATOM 0 HE ARG A 100 2.041 10.357 -12.813 1.00 10.00 H new ATOM 0 HH11 ARG A 100 3.383 7.421 -11.307 1.00 10.00 H new ATOM 0 HH12 ARG A 100 5.028 7.786 -11.840 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.134 10.817 -13.438 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.451 9.707 -13.045 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.849 8.896 -9.257 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.014 8.240 -8.715 1.00 10.00 C ATOM 1494 C PHE A 101 -5.968 9.182 -8.054 1.00 10.00 C ATOM 1495 O PHE A 101 -7.175 8.911 -7.965 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.663 7.011 -7.874 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.338 5.808 -8.723 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.166 5.737 -9.457 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.236 4.762 -8.817 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.904 4.655 -10.253 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.977 3.675 -9.614 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.809 3.620 -10.335 1.00 10.00 C ATOM 0 H PHE A 101 -3.174 9.234 -8.571 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.567 7.849 -9.569 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.811 7.243 -7.235 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.499 6.773 -7.216 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.451 6.544 -9.401 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.157 4.800 -8.254 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.985 4.613 -10.819 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.689 2.865 -9.674 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.601 2.767 -10.964 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.422 10.274 -7.597 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.147 11.407 -6.942 1.00 10.00 C ATOM 1514 C ALA A 102 -6.901 11.017 -5.633 1.00 10.00 C ATOM 1515 O ALA A 102 -7.420 11.875 -4.918 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.075 12.120 -7.930 1.00 10.00 C ATOM 0 H ALA A 102 -4.417 10.438 -7.657 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.370 12.104 -6.628 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.587 12.938 -7.423 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.488 12.517 -8.758 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.811 11.413 -8.313 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.966 9.748 -5.358 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.538 9.204 -4.169 1.00 10.00 C ATOM 1524 C GLY A 103 -6.873 7.886 -3.939 1.00 10.00 C ATOM 1525 O GLY A 103 -6.218 7.399 -4.855 1.00 10.00 O ATOM 0 H GLY A 103 -6.604 9.033 -5.989 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -7.379 9.871 -3.322 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.615 9.080 -4.279 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.966 7.321 -2.762 1.00 10.00 N ATOM 1530 CA TRP A 104 -6.424 5.955 -2.555 1.00 10.00 C ATOM 1531 C TRP A 104 -7.316 4.903 -3.269 1.00 10.00 C ATOM 1532 O TRP A 104 -8.530 5.097 -3.395 1.00 10.00 O ATOM 1533 CB TRP A 104 -6.263 5.587 -1.055 1.00 10.00 C ATOM 1534 CG TRP A 104 -7.520 5.096 -0.375 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -7.942 3.792 -0.293 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -8.500 5.864 0.313 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -9.129 3.720 0.373 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -9.487 4.974 0.765 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -8.653 7.212 0.597 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -10.587 5.414 1.471 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -9.727 7.624 1.291 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -10.663 6.753 1.713 1.00 10.00 C ATOM 0 H TRP A 104 -7.393 7.749 -1.941 1.00 10.00 H new ATOM 0 HA TRP A 104 -5.426 5.948 -2.993 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -5.497 4.817 -0.966 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.898 6.463 -0.519 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -7.409 2.944 -0.698 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -9.661 2.868 0.549 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -7.914 7.926 0.263 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -11.350 4.731 1.815 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -9.842 8.674 1.515 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -11.510 7.131 2.267 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.717 3.830 -3.770 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.454 2.753 -4.404 1.00 10.00 C ATOM 1555 C HIS A 105 -7.011 1.420 -3.817 1.00 10.00 C ATOM 1556 O HIS A 105 -6.015 0.854 -4.236 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.213 2.775 -5.918 1.00 10.00 C ATOM 1558 CG HIS A 105 -7.948 3.852 -6.676 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -8.883 3.582 -7.642 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -7.844 5.200 -6.636 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -9.317 4.709 -8.160 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -8.703 5.707 -7.568 1.00 10.00 N ATOM 0 H HIS A 105 -5.708 3.685 -3.747 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.520 2.886 -4.220 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.144 2.894 -6.097 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.499 1.806 -6.328 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -7.199 5.771 -5.985 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -10.056 4.799 -8.943 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -8.844 6.697 -7.771 1.00 10.00 H new ATOM 1571 N MET A 106 -7.726 0.946 -2.836 1.00 10.00 N ATOM 1572 CA MET A 106 -7.345 -0.266 -2.125 1.00 10.00 C ATOM 1573 C MET A 106 -8.034 -1.461 -2.782 1.00 10.00 C ATOM 1574 O MET A 106 -9.267 -1.531 -2.817 1.00 10.00 O ATOM 1575 CB MET A 106 -7.750 -0.136 -0.636 1.00 10.00 C ATOM 1576 CG MET A 106 -7.035 -1.075 0.351 1.00 10.00 C ATOM 1577 SD MET A 106 -7.350 -2.834 0.113 1.00 10.00 S ATOM 1578 CE MET A 106 -6.342 -3.547 1.427 1.00 10.00 C ATOM 0 H MET A 106 -8.587 1.378 -2.500 1.00 10.00 H new ATOM 0 HA MET A 106 -6.266 -0.415 -2.173 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.570 0.892 -0.321 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.823 -0.310 -0.557 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.961 -0.902 0.277 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.332 -0.804 1.364 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.678 -4.303 1.007 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.748 -2.763 1.896 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.990 -4.007 2.173 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.249 -2.356 -3.349 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.777 -3.534 -3.993 1.00 10.00 C ATOM 1590 C GLN A 107 -7.470 -4.815 -3.242 1.00 10.00 C ATOM 1591 O GLN A 107 -6.361 -5.380 -3.335 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.340 -3.631 -5.453 1.00 10.00 C ATOM 1593 CG GLN A 107 -8.069 -2.670 -6.372 1.00 10.00 C ATOM 1594 CD GLN A 107 -9.544 -3.011 -6.497 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -9.938 -4.179 -6.404 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -10.362 -2.025 -6.722 1.00 10.00 N ATOM 0 H GLN A 107 -6.232 -2.284 -3.374 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.861 -3.418 -3.975 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.269 -3.438 -5.516 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -7.502 -4.650 -5.805 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -7.963 -1.654 -5.992 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -7.607 -2.691 -7.359 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -10.005 -1.072 -6.793 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -11.361 -2.205 -6.827 1.00 10.00 H new