USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 89 SER OG : rot -25:sc= 0.963! USER MOD Set 1.2: A 92 THR OG1 : rot -25:sc= 0.465 USER MOD Set 1.3: A 94 GLN : amide:sc= -3.01! C(o=-1.6!,f=-2.6!) USER MOD Set 2.1: A 84 THR OG1 : rot -103:sc= -4.68! USER MOD Set 2.2: A 99 SER OG : rot 61:sc= -3.39! USER MOD Set 3.1: A 20 CYS SG : rot -20:sc= -15.3! USER MOD Set 3.2: A 46 SER OG : rot 170:sc= -1.89! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.62) USER MOD Single : A 42 THR OG1 : rot -174:sc= -2.87! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 117:sc= 1.36 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -67:sc= 1.12 USER MOD Single : A 76 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.4) USER MOD Single : A 77 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.26) USER MOD Single : A 82 ASN : amide:sc= -4.73! C(o=-4.7!,f=-4.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 167:sc= -2.63! (180deg=-3.14!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 152:sc= -0.597 (180deg=-2.41!) USER MOD Single : A 95 GLN : amide:sc= -0.886 K(o=-0.89,f=-5!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -50:sc= 0.62 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -51:sc= 0.856 USER MOD Single : A 112 TYR OH : rot 60:sc= -0.773 USER MOD Single : A 116 LYS NZ :NH3+ 159:sc= -0.139 (180deg=-0.808) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.631 -7.185 -0.914 1.00 0.00 N ATOM 160 CA PRO A 12 -6.378 -6.509 -1.194 1.00 0.00 C ATOM 161 C PRO A 12 -5.936 -5.706 0.034 1.00 0.00 C ATOM 162 O PRO A 12 -6.360 -5.966 1.142 1.00 0.00 O ATOM 163 CB PRO A 12 -6.707 -5.580 -2.357 1.00 0.00 C ATOM 164 CG PRO A 12 -8.236 -5.301 -2.192 1.00 0.00 C ATOM 165 CD PRO A 12 -8.834 -6.535 -1.453 1.00 0.00 C ATOM 0 HA PRO A 12 -5.565 -7.195 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.125 -4.659 -2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.487 -6.048 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.404 -4.388 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.712 -5.162 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.527 -6.241 -0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.382 -7.190 -2.131 1.00 0.00 H new ATOM 173 N VAL A 13 -5.093 -4.726 -0.152 1.00 0.00 N ATOM 174 CA VAL A 13 -4.637 -3.908 1.006 1.00 0.00 C ATOM 175 C VAL A 13 -5.104 -2.462 0.819 1.00 0.00 C ATOM 176 O VAL A 13 -4.336 -1.616 0.415 1.00 0.00 O ATOM 177 CB VAL A 13 -3.111 -3.949 1.094 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.673 -3.621 2.523 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.619 -5.348 0.721 1.00 0.00 C ATOM 0 H VAL A 13 -4.702 -4.458 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.060 -4.311 1.926 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.687 -3.217 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.585 -3.650 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.025 -2.625 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.096 -4.354 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.531 -5.380 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.043 -6.079 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.931 -5.584 -0.296 1.00 0.00 H new ATOM 189 N PRO A 14 -6.356 -2.223 1.123 1.00 0.00 N ATOM 190 CA PRO A 14 -6.936 -0.898 0.998 1.00 0.00 C ATOM 191 C PRO A 14 -6.001 0.144 1.611 1.00 0.00 C ATOM 192 O PRO A 14 -5.655 0.060 2.773 1.00 0.00 O ATOM 193 CB PRO A 14 -8.241 -0.979 1.780 1.00 0.00 C ATOM 194 CG PRO A 14 -8.617 -2.493 1.709 1.00 0.00 C ATOM 195 CD PRO A 14 -7.269 -3.264 1.623 1.00 0.00 C ATOM 0 HA PRO A 14 -7.096 -0.604 -0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.113 -0.645 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.014 -0.352 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.185 -2.796 2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.241 -2.700 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.956 -3.650 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.328 -4.116 0.945 1.00 0.00 H new ATOM 203 N LEU A 15 -5.578 1.127 0.853 1.00 0.00 N ATOM 204 CA LEU A 15 -4.666 2.147 1.439 1.00 0.00 C ATOM 205 C LEU A 15 -5.327 3.535 1.491 1.00 0.00 C ATOM 206 O LEU A 15 -4.788 4.479 0.980 1.00 0.00 O ATOM 207 CB LEU A 15 -3.384 2.240 0.613 1.00 0.00 C ATOM 208 CG LEU A 15 -2.609 0.929 0.724 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.871 0.658 -0.587 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.594 1.040 1.862 1.00 0.00 C ATOM 0 H LEU A 15 -5.822 1.263 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.436 1.833 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.625 2.445 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.770 3.068 0.967 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.302 0.112 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.318 -0.278 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.591 0.585 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.176 1.473 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.038 0.106 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.903 1.857 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.117 1.236 2.798 1.00 0.00 H new ATOM 222 N PRO A 16 -6.455 3.622 2.144 1.00 0.00 N ATOM 223 CA PRO A 16 -7.150 4.887 2.332 1.00 0.00 C ATOM 224 C PRO A 16 -6.158 6.028 2.644 1.00 0.00 C ATOM 225 O PRO A 16 -6.151 7.049 1.986 1.00 0.00 O ATOM 226 CB PRO A 16 -8.059 4.634 3.528 1.00 0.00 C ATOM 227 CG PRO A 16 -8.298 3.088 3.513 1.00 0.00 C ATOM 228 CD PRO A 16 -7.128 2.451 2.701 1.00 0.00 C ATOM 0 HA PRO A 16 -7.694 5.195 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.590 4.955 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.997 5.182 3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.323 2.692 4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.258 2.851 3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.464 1.866 3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.492 1.783 1.921 1.00 0.00 H new ATOM 236 N GLU A 17 -5.338 5.864 3.655 1.00 0.00 N ATOM 237 CA GLU A 17 -4.357 6.938 4.034 1.00 0.00 C ATOM 238 C GLU A 17 -3.781 7.615 2.783 1.00 0.00 C ATOM 239 O GLU A 17 -3.470 8.789 2.786 1.00 0.00 O ATOM 240 CB GLU A 17 -3.216 6.318 4.841 1.00 0.00 C ATOM 241 CG GLU A 17 -2.543 7.399 5.688 1.00 0.00 C ATOM 242 CD GLU A 17 -2.801 7.122 7.170 1.00 0.00 C ATOM 243 OE1 GLU A 17 -3.942 7.240 7.584 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.852 6.797 7.866 1.00 0.00 O ATOM 0 H GLU A 17 -5.304 5.028 4.239 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.876 7.689 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.600 5.525 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.488 5.861 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.471 7.415 5.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.931 8.381 5.418 1.00 0.00 H new ATOM 251 N LEU A 18 -3.645 6.879 1.720 1.00 0.00 N ATOM 252 CA LEU A 18 -3.103 7.451 0.452 1.00 0.00 C ATOM 253 C LEU A 18 -4.203 7.404 -0.600 1.00 0.00 C ATOM 254 O LEU A 18 -4.254 6.489 -1.397 1.00 0.00 O ATOM 255 CB LEU A 18 -1.901 6.635 -0.055 1.00 0.00 C ATOM 256 CG LEU A 18 -2.064 5.159 0.293 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.021 4.340 -0.469 1.00 0.00 C ATOM 258 CD2 LEU A 18 -1.856 4.970 1.794 1.00 0.00 C ATOM 0 H LEU A 18 -3.889 5.890 1.671 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.774 8.473 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.806 6.751 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.982 7.019 0.388 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.064 4.826 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.136 3.285 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.161 4.479 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.022 4.672 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.972 3.916 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.854 5.301 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.594 5.558 2.340 1.00 0.00 H new ATOM 270 N PRO A 19 -5.065 8.383 -0.565 1.00 0.00 N ATOM 271 CA PRO A 19 -6.166 8.444 -1.497 1.00 0.00 C ATOM 272 C PRO A 19 -5.663 8.225 -2.925 1.00 0.00 C ATOM 273 O PRO A 19 -4.491 7.997 -3.154 1.00 0.00 O ATOM 274 CB PRO A 19 -6.742 9.846 -1.329 1.00 0.00 C ATOM 275 CG PRO A 19 -6.326 10.240 0.123 1.00 0.00 C ATOM 276 CD PRO A 19 -4.994 9.485 0.405 1.00 0.00 C ATOM 0 HA PRO A 19 -6.915 7.674 -1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.334 10.538 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.825 9.852 -1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.190 11.318 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.096 9.956 0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.122 10.118 0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.938 9.124 1.432 1.00 0.00 H new ATOM 284 N CYS A 20 -6.540 8.278 -3.887 1.00 0.00 N ATOM 285 CA CYS A 20 -6.113 8.057 -5.295 1.00 0.00 C ATOM 286 C CYS A 20 -6.120 9.377 -6.070 1.00 0.00 C ATOM 287 O CYS A 20 -5.109 10.040 -6.193 1.00 0.00 O ATOM 288 CB CYS A 20 -7.073 7.067 -5.955 1.00 0.00 C ATOM 289 SG CYS A 20 -6.176 5.545 -6.342 1.00 0.00 S ATOM 0 H CYS A 20 -7.534 8.465 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.099 7.656 -5.304 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.909 6.852 -5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.492 7.498 -6.864 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.900 5.789 -6.372 1.00 0.00 H new ATOM 295 N GLU A 21 -7.248 9.762 -6.602 1.00 0.00 N ATOM 296 CA GLU A 21 -7.311 11.034 -7.377 1.00 0.00 C ATOM 297 C GLU A 21 -7.946 12.123 -6.515 1.00 0.00 C ATOM 298 O GLU A 21 -8.928 12.731 -6.890 1.00 0.00 O ATOM 299 CB GLU A 21 -8.156 10.820 -8.635 1.00 0.00 C ATOM 300 CG GLU A 21 -7.536 11.591 -9.802 1.00 0.00 C ATOM 301 CD GLU A 21 -8.553 11.701 -10.939 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.152 10.690 -11.271 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.715 12.792 -11.460 1.00 0.00 O ATOM 0 H GLU A 21 -8.128 9.251 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.304 11.339 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.209 9.758 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.177 11.159 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.232 12.585 -9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.638 11.082 -10.151 1.00 0.00 H new ATOM 310 N LYS A 22 -7.397 12.371 -5.359 1.00 0.00 N ATOM 311 CA LYS A 22 -7.976 13.415 -4.475 1.00 0.00 C ATOM 312 C LYS A 22 -9.476 13.165 -4.345 1.00 0.00 C ATOM 313 O LYS A 22 -10.250 14.059 -4.063 1.00 0.00 O ATOM 314 CB LYS A 22 -7.733 14.793 -5.090 1.00 0.00 C ATOM 315 CG LYS A 22 -6.269 15.191 -4.893 1.00 0.00 C ATOM 316 CD LYS A 22 -5.359 14.090 -5.443 1.00 0.00 C ATOM 317 CE LYS A 22 -3.953 14.651 -5.665 1.00 0.00 C ATOM 318 NZ LYS A 22 -3.035 13.548 -6.063 1.00 0.00 N ATOM 0 H LYS A 22 -6.573 11.896 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.508 13.377 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.976 14.776 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.387 15.531 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.066 16.133 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.064 15.351 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.322 13.253 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.761 13.706 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.974 15.418 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.592 15.128 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.079 13.929 -6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.007 12.831 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.377 13.112 -6.943 1.00 0.00 H new ATOM 332 N SER A 23 -9.888 11.946 -4.555 1.00 0.00 N ATOM 333 CA SER A 23 -11.333 11.609 -4.454 1.00 0.00 C ATOM 334 C SER A 23 -11.557 10.730 -3.223 1.00 0.00 C ATOM 335 O SER A 23 -10.705 10.622 -2.364 1.00 0.00 O ATOM 336 CB SER A 23 -11.757 10.847 -5.711 1.00 0.00 C ATOM 337 OG SER A 23 -10.819 9.811 -5.970 1.00 0.00 O ATOM 0 H SER A 23 -9.279 11.163 -4.794 1.00 0.00 H new ATOM 0 HA SER A 23 -11.923 12.521 -4.363 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.753 10.426 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.810 11.526 -6.562 1.00 0.00 H new ATOM 0 HG SER A 23 -11.088 9.319 -6.774 1.00 0.00 H new ATOM 343 N ASP A 24 -12.691 10.091 -3.133 1.00 0.00 N ATOM 344 CA ASP A 24 -12.955 9.213 -1.961 1.00 0.00 C ATOM 345 C ASP A 24 -12.268 7.863 -2.181 1.00 0.00 C ATOM 346 O ASP A 24 -12.433 6.940 -1.408 1.00 0.00 O ATOM 347 CB ASP A 24 -14.462 9.003 -1.809 1.00 0.00 C ATOM 348 CG ASP A 24 -15.178 10.351 -1.896 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.972 11.167 -1.014 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.920 10.545 -2.847 1.00 0.00 O ATOM 0 H ASP A 24 -13.444 10.139 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.564 9.680 -1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.827 8.335 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.678 8.526 -0.853 1.00 0.00 H new ATOM 355 N ALA A 25 -11.499 7.740 -3.230 1.00 0.00 N ATOM 356 CA ALA A 25 -10.805 6.454 -3.498 1.00 0.00 C ATOM 357 C ALA A 25 -9.403 6.495 -2.889 1.00 0.00 C ATOM 358 O ALA A 25 -8.927 7.530 -2.468 1.00 0.00 O ATOM 359 CB ALA A 25 -10.696 6.241 -5.009 1.00 0.00 C ATOM 0 H ALA A 25 -11.323 8.478 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.371 5.635 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.187 5.298 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.694 6.214 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.129 7.060 -5.452 1.00 0.00 H new ATOM 365 N TYR A 26 -8.740 5.375 -2.846 1.00 0.00 N ATOM 366 CA TYR A 26 -7.367 5.335 -2.273 1.00 0.00 C ATOM 367 C TYR A 26 -6.580 4.233 -2.970 1.00 0.00 C ATOM 368 O TYR A 26 -7.062 3.612 -3.893 1.00 0.00 O ATOM 369 CB TYR A 26 -7.434 5.043 -0.776 1.00 0.00 C ATOM 370 CG TYR A 26 -8.657 4.207 -0.472 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.912 4.817 -0.369 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.533 2.824 -0.295 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.045 4.045 -0.087 1.00 0.00 C ATOM 374 CE2 TYR A 26 -9.666 2.051 -0.013 1.00 0.00 C ATOM 375 CZ TYR A 26 -10.922 2.661 0.091 1.00 0.00 C ATOM 376 OH TYR A 26 -12.038 1.899 0.369 1.00 0.00 O ATOM 0 H TYR A 26 -9.092 4.480 -3.185 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.879 6.298 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.534 4.517 -0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.472 5.977 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.007 5.884 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.564 2.354 -0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.014 4.516 -0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.571 0.984 0.124 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.777 0.959 0.462 1.00 0.00 H new ATOM 386 N PHE A 27 -5.370 3.980 -2.563 1.00 0.00 N ATOM 387 CA PHE A 27 -4.598 2.916 -3.255 1.00 0.00 C ATOM 388 C PHE A 27 -4.850 1.544 -2.613 1.00 0.00 C ATOM 389 O PHE A 27 -4.084 1.063 -1.807 1.00 0.00 O ATOM 390 CB PHE A 27 -3.111 3.257 -3.218 1.00 0.00 C ATOM 391 CG PHE A 27 -2.790 4.093 -4.431 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.250 3.693 -5.690 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.051 5.275 -4.299 1.00 0.00 C ATOM 394 CE1 PHE A 27 -2.973 4.470 -6.818 1.00 0.00 C ATOM 395 CE2 PHE A 27 -1.771 6.051 -5.429 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.233 5.649 -6.688 1.00 0.00 C ATOM 0 H PHE A 27 -4.890 4.453 -1.797 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.930 2.863 -4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.868 3.802 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.512 2.346 -3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.821 2.782 -5.791 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.698 5.587 -3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.330 4.160 -7.789 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.198 6.961 -5.330 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.018 6.250 -7.559 1.00 0.00 H new ATOM 406 N VAL A 28 -5.916 0.901 -2.986 1.00 0.00 N ATOM 407 CA VAL A 28 -6.209 -0.445 -2.430 1.00 0.00 C ATOM 408 C VAL A 28 -5.256 -1.457 -3.074 1.00 0.00 C ATOM 409 O VAL A 28 -5.521 -1.985 -4.137 1.00 0.00 O ATOM 410 CB VAL A 28 -7.664 -0.817 -2.745 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.863 -2.327 -2.609 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.600 -0.098 -1.772 1.00 0.00 C ATOM 0 H VAL A 28 -6.601 1.251 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.070 -0.448 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.891 -0.515 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.899 -2.579 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.203 -2.845 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.629 -2.635 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.633 -0.363 -1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.363 -0.397 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.472 0.980 -1.873 1.00 0.00 H new ATOM 422 N LEU A 29 -4.139 -1.715 -2.441 1.00 0.00 N ATOM 423 CA LEU A 29 -3.145 -2.675 -3.006 1.00 0.00 C ATOM 424 C LEU A 29 -3.854 -3.850 -3.680 1.00 0.00 C ATOM 425 O LEU A 29 -4.187 -4.833 -3.049 1.00 0.00 O ATOM 426 CB LEU A 29 -2.250 -3.212 -1.884 1.00 0.00 C ATOM 427 CG LEU A 29 -0.901 -3.673 -2.456 1.00 0.00 C ATOM 428 CD1 LEU A 29 -0.254 -4.670 -1.493 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.105 -4.357 -3.812 1.00 0.00 C ATOM 0 H LEU A 29 -3.872 -1.297 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.542 -2.149 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.090 -2.437 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.744 -4.044 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.259 -2.802 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.703 -4.998 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.095 -4.191 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.909 -5.532 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.141 -4.679 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.754 -5.224 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.565 -3.656 -4.508 1.00 0.00 H new ATOM 441 N ARG A 30 -4.066 -3.764 -4.963 1.00 0.00 N ATOM 442 CA ARG A 30 -4.727 -4.885 -5.682 1.00 0.00 C ATOM 443 C ARG A 30 -3.647 -5.854 -6.167 1.00 0.00 C ATOM 444 O ARG A 30 -2.539 -5.457 -6.463 1.00 0.00 O ATOM 445 CB ARG A 30 -5.506 -4.340 -6.881 1.00 0.00 C ATOM 446 CG ARG A 30 -6.901 -3.903 -6.427 1.00 0.00 C ATOM 447 CD ARG A 30 -7.959 -4.625 -7.263 1.00 0.00 C ATOM 448 NE ARG A 30 -9.312 -4.341 -6.707 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.231 -3.812 -7.467 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.934 -4.569 -8.263 1.00 0.00 N ATOM 451 NH2 ARG A 30 -10.446 -2.525 -7.431 1.00 0.00 N ATOM 0 H ARG A 30 -3.810 -2.966 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.419 -5.400 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.974 -3.496 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.586 -5.104 -7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.039 -4.131 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.009 -2.824 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.904 -4.296 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.771 -5.699 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.520 -4.560 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.765 -5.575 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.653 -4.155 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.896 -1.933 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.164 -2.111 -8.025 1.00 0.00 H new ATOM 465 N ASP A 31 -3.952 -7.118 -6.245 1.00 0.00 N ATOM 466 CA ASP A 31 -2.929 -8.096 -6.706 1.00 0.00 C ATOM 467 C ASP A 31 -3.428 -8.802 -7.968 1.00 0.00 C ATOM 468 O ASP A 31 -4.331 -9.614 -7.921 1.00 0.00 O ATOM 469 CB ASP A 31 -2.673 -9.128 -5.604 1.00 0.00 C ATOM 470 CG ASP A 31 -3.918 -9.995 -5.415 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.978 -9.434 -5.188 1.00 0.00 O ATOM 472 OD2 ASP A 31 -3.791 -11.206 -5.498 1.00 0.00 O ATOM 0 H ASP A 31 -4.862 -7.515 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.000 -7.571 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.819 -9.752 -5.867 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.423 -8.624 -4.670 1.00 0.00 H new ATOM 477 N GLY A 32 -2.848 -8.498 -9.097 1.00 0.00 N ATOM 478 CA GLY A 32 -3.292 -9.152 -10.360 1.00 0.00 C ATOM 479 C GLY A 32 -2.480 -10.427 -10.590 1.00 0.00 C ATOM 480 O GLY A 32 -2.109 -11.115 -9.660 1.00 0.00 O ATOM 0 H GLY A 32 -2.087 -7.826 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.354 -9.390 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.162 -8.470 -11.200 1.00 0.00 H new ATOM 484 N ALA A 33 -2.203 -10.750 -11.824 1.00 0.00 N ATOM 485 CA ALA A 33 -1.416 -11.983 -12.113 1.00 0.00 C ATOM 486 C ALA A 33 0.003 -11.598 -12.536 1.00 0.00 C ATOM 487 O ALA A 33 0.948 -12.325 -12.304 1.00 0.00 O ATOM 488 CB ALA A 33 -2.090 -12.764 -13.243 1.00 0.00 C ATOM 0 H ALA A 33 -2.487 -10.214 -12.644 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.371 -12.603 -11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.515 -13.666 -13.455 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.101 -13.040 -12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.135 -12.143 -14.138 1.00 0.00 H new ATOM 494 N ALA A 34 0.160 -10.461 -13.155 1.00 0.00 N ATOM 495 CA ALA A 34 1.518 -10.032 -13.594 1.00 0.00 C ATOM 496 C ALA A 34 2.328 -9.576 -12.378 1.00 0.00 C ATOM 497 O ALA A 34 3.519 -9.353 -12.462 1.00 0.00 O ATOM 498 CB ALA A 34 1.393 -8.875 -14.587 1.00 0.00 C ATOM 0 H ALA A 34 -0.593 -9.810 -13.376 1.00 0.00 H new ATOM 0 HA ALA A 34 2.025 -10.869 -14.075 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.387 -8.562 -14.908 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.818 -9.200 -15.454 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.886 -8.038 -14.108 1.00 0.00 H new ATOM 504 N GLY A 35 1.691 -9.436 -11.247 1.00 0.00 N ATOM 505 CA GLY A 35 2.428 -8.994 -10.028 1.00 0.00 C ATOM 506 C GLY A 35 1.502 -8.152 -9.148 1.00 0.00 C ATOM 507 O GLY A 35 0.335 -7.983 -9.443 1.00 0.00 O ATOM 0 H GLY A 35 0.694 -9.608 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.786 -9.861 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.305 -8.413 -10.312 1.00 0.00 H new ATOM 511 N VAL A 36 2.011 -7.622 -8.070 1.00 0.00 N ATOM 512 CA VAL A 36 1.158 -6.792 -7.173 1.00 0.00 C ATOM 513 C VAL A 36 1.112 -5.356 -7.700 1.00 0.00 C ATOM 514 O VAL A 36 1.845 -4.990 -8.597 1.00 0.00 O ATOM 515 CB VAL A 36 1.743 -6.802 -5.759 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.111 -8.233 -5.370 1.00 0.00 C ATOM 517 CG2 VAL A 36 2.998 -5.927 -5.716 1.00 0.00 C ATOM 0 H VAL A 36 2.981 -7.728 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 36 0.148 -7.201 -7.149 1.00 0.00 H new ATOM 0 HB VAL A 36 1.003 -6.411 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.528 -8.241 -4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.219 -8.859 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.849 -8.622 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.413 -5.935 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.737 -6.316 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.739 -4.905 -5.993 1.00 0.00 H new ATOM 527 N PHE A 37 0.257 -4.539 -7.146 1.00 0.00 N ATOM 528 CA PHE A 37 0.168 -3.128 -7.614 1.00 0.00 C ATOM 529 C PHE A 37 -0.919 -2.395 -6.822 1.00 0.00 C ATOM 530 O PHE A 37 -1.915 -2.974 -6.436 1.00 0.00 O ATOM 531 CB PHE A 37 -0.179 -3.109 -9.110 1.00 0.00 C ATOM 532 CG PHE A 37 -1.649 -3.404 -9.297 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.180 -4.625 -8.865 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.482 -2.451 -9.892 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.544 -4.893 -9.029 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.846 -2.718 -10.058 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.376 -3.939 -9.626 1.00 0.00 C ATOM 0 H PHE A 37 -0.382 -4.788 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 37 1.125 -2.629 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.063 -2.136 -9.537 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.420 -3.848 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.537 -5.361 -8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.072 -1.508 -10.224 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.954 -5.835 -8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.489 -1.983 -10.519 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.428 -4.145 -9.753 1.00 0.00 H new ATOM 547 N LEU A 38 -0.741 -1.125 -6.582 1.00 0.00 N ATOM 548 CA LEU A 38 -1.768 -0.357 -5.821 1.00 0.00 C ATOM 549 C LEU A 38 -2.781 0.239 -6.796 1.00 0.00 C ATOM 550 O LEU A 38 -2.546 1.270 -7.394 1.00 0.00 O ATOM 551 CB LEU A 38 -1.092 0.771 -5.036 1.00 0.00 C ATOM 552 CG LEU A 38 0.325 0.351 -4.643 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.891 1.351 -3.633 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.287 -1.042 -4.013 1.00 0.00 C ATOM 0 H LEU A 38 0.072 -0.585 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.278 -1.025 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.058 1.678 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.673 1.004 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 38 0.958 0.332 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.901 1.052 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.917 2.345 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.258 1.369 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.297 -1.342 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.346 -1.023 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.117 -1.755 -4.731 1.00 0.00 H new ATOM 566 N ALA A 39 -3.910 -0.395 -6.960 1.00 0.00 N ATOM 567 CA ALA A 39 -4.932 0.147 -7.896 1.00 0.00 C ATOM 568 C ALA A 39 -5.850 1.103 -7.140 1.00 0.00 C ATOM 569 O ALA A 39 -6.089 0.951 -5.954 1.00 0.00 O ATOM 570 CB ALA A 39 -5.768 -0.993 -8.481 1.00 0.00 C ATOM 0 H ALA A 39 -4.167 -1.262 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.428 0.674 -8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.513 -0.585 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.118 -1.681 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.270 -1.527 -7.674 1.00 0.00 H new ATOM 576 N ALA A 40 -6.373 2.083 -7.816 1.00 0.00 N ATOM 577 CA ALA A 40 -7.281 3.044 -7.142 1.00 0.00 C ATOM 578 C ALA A 40 -8.564 2.315 -6.748 1.00 0.00 C ATOM 579 O ALA A 40 -9.040 1.450 -7.456 1.00 0.00 O ATOM 580 CB ALA A 40 -7.611 4.187 -8.104 1.00 0.00 C ATOM 0 H ALA A 40 -6.210 2.260 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.802 3.452 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.278 4.895 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.692 4.696 -8.394 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.099 3.786 -8.992 1.00 0.00 H new ATOM 586 N ASN A 41 -9.129 2.651 -5.624 1.00 0.00 N ATOM 587 CA ASN A 41 -10.380 1.968 -5.192 1.00 0.00 C ATOM 588 C ASN A 41 -11.549 2.476 -6.036 1.00 0.00 C ATOM 589 O ASN A 41 -12.635 1.931 -6.003 1.00 0.00 O ATOM 590 CB ASN A 41 -10.638 2.260 -3.711 1.00 0.00 C ATOM 591 CG ASN A 41 -12.081 1.897 -3.354 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.948 2.749 -3.340 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.378 0.661 -3.062 1.00 0.00 N ATOM 0 H ASN A 41 -8.781 3.367 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.278 0.891 -5.329 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.946 1.688 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.456 3.314 -3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.337 0.410 -2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.651 -0.055 -3.074 1.00 0.00 H new ATOM 600 N THR A 42 -11.335 3.511 -6.801 1.00 0.00 N ATOM 601 CA THR A 42 -12.431 4.045 -7.654 1.00 0.00 C ATOM 602 C THR A 42 -12.264 3.517 -9.083 1.00 0.00 C ATOM 603 O THR A 42 -12.997 3.885 -9.978 1.00 0.00 O ATOM 604 CB THR A 42 -12.379 5.575 -7.654 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.028 6.003 -7.550 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.181 6.115 -6.469 1.00 0.00 C ATOM 0 H THR A 42 -10.448 4.009 -6.871 1.00 0.00 H new ATOM 0 HA THR A 42 -13.394 3.721 -7.261 1.00 0.00 H new ATOM 0 HB THR A 42 -12.808 5.953 -8.582 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.000 6.978 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.143 7.204 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.217 5.788 -6.552 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.755 5.738 -5.539 1.00 0.00 H new ATOM 614 N PHE A 43 -11.305 2.649 -9.295 1.00 0.00 N ATOM 615 CA PHE A 43 -11.077 2.078 -10.658 1.00 0.00 C ATOM 616 C PHE A 43 -12.427 1.824 -11.341 1.00 0.00 C ATOM 617 O PHE A 43 -13.374 1.422 -10.695 1.00 0.00 O ATOM 618 CB PHE A 43 -10.327 0.749 -10.514 1.00 0.00 C ATOM 619 CG PHE A 43 -10.125 0.126 -11.874 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.214 -0.423 -12.561 1.00 0.00 C ATOM 621 CD2 PHE A 43 -8.849 0.100 -12.449 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.027 -0.998 -13.824 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.661 -0.474 -13.711 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.750 -1.023 -14.399 1.00 0.00 C ATOM 0 H PHE A 43 -10.666 2.309 -8.576 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.494 2.776 -11.259 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.363 0.915 -10.033 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.890 0.071 -9.873 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.198 -0.403 -12.117 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.009 0.523 -11.918 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.867 -1.422 -14.354 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.676 -0.494 -14.154 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.605 -1.466 -15.373 1.00 0.00 H new ATOM 634 N PRO A 44 -12.479 2.050 -12.633 1.00 0.00 N ATOM 635 CA PRO A 44 -11.343 2.533 -13.409 1.00 0.00 C ATOM 636 C PRO A 44 -11.217 4.058 -13.303 1.00 0.00 C ATOM 637 O PRO A 44 -10.350 4.653 -13.913 1.00 0.00 O ATOM 638 CB PRO A 44 -11.683 2.144 -14.840 1.00 0.00 C ATOM 639 CG PRO A 44 -13.246 2.146 -14.858 1.00 0.00 C ATOM 640 CD PRO A 44 -13.703 1.806 -13.408 1.00 0.00 C ATOM 0 HA PRO A 44 -10.398 2.115 -13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.273 2.855 -15.557 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.280 1.164 -15.096 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.630 3.118 -15.168 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.627 1.412 -15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.526 2.441 -13.081 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.042 0.774 -13.319 1.00 0.00 H new ATOM 648 N LYS A 45 -12.073 4.695 -12.547 1.00 0.00 N ATOM 649 CA LYS A 45 -12.000 6.179 -12.414 1.00 0.00 C ATOM 650 C LYS A 45 -10.533 6.606 -12.310 1.00 0.00 C ATOM 651 O LYS A 45 -10.094 7.523 -12.975 1.00 0.00 O ATOM 652 CB LYS A 45 -12.767 6.606 -11.157 1.00 0.00 C ATOM 653 CG LYS A 45 -12.289 7.983 -10.691 1.00 0.00 C ATOM 654 CD LYS A 45 -13.061 8.397 -9.437 1.00 0.00 C ATOM 655 CE LYS A 45 -13.666 9.785 -9.645 1.00 0.00 C ATOM 656 NZ LYS A 45 -14.375 10.208 -8.404 1.00 0.00 N ATOM 0 H LYS A 45 -12.821 4.250 -12.015 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.446 6.657 -13.286 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.836 6.635 -11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.618 5.873 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.220 7.956 -10.480 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.439 8.718 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.848 7.673 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.396 8.404 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.883 10.502 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.360 9.769 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.787 11.152 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.132 9.528 -8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.701 10.239 -7.612 1.00 0.00 H new ATOM 670 N SER A 46 -9.772 5.940 -11.490 1.00 0.00 N ATOM 671 CA SER A 46 -8.335 6.299 -11.353 1.00 0.00 C ATOM 672 C SER A 46 -7.483 5.124 -11.833 1.00 0.00 C ATOM 673 O SER A 46 -7.379 4.110 -11.172 1.00 0.00 O ATOM 674 CB SER A 46 -8.019 6.601 -9.888 1.00 0.00 C ATOM 675 OG SER A 46 -6.637 6.375 -9.650 1.00 0.00 O ATOM 0 H SER A 46 -10.083 5.162 -10.908 1.00 0.00 H new ATOM 0 HA SER A 46 -8.115 7.182 -11.953 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.276 7.634 -9.654 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.620 5.967 -9.236 1.00 0.00 H new ATOM 0 HG SER A 46 -6.397 6.718 -8.764 1.00 0.00 H new ATOM 681 N ARG A 47 -6.878 5.249 -12.982 1.00 0.00 N ATOM 682 CA ARG A 47 -6.040 4.135 -13.505 1.00 0.00 C ATOM 683 C ARG A 47 -4.604 4.299 -13.007 1.00 0.00 C ATOM 684 O ARG A 47 -3.659 3.928 -13.674 1.00 0.00 O ATOM 685 CB ARG A 47 -6.055 4.159 -15.035 1.00 0.00 C ATOM 686 CG ARG A 47 -6.910 3.005 -15.558 1.00 0.00 C ATOM 687 CD ARG A 47 -7.401 3.333 -16.970 1.00 0.00 C ATOM 688 NE ARG A 47 -8.555 2.457 -17.312 1.00 0.00 N ATOM 689 CZ ARG A 47 -9.184 2.618 -18.445 1.00 0.00 C ATOM 690 NH1 ARG A 47 -9.751 3.761 -18.718 1.00 0.00 N ATOM 691 NH2 ARG A 47 -9.243 1.637 -19.303 1.00 0.00 N ATOM 0 H ARG A 47 -6.928 6.074 -13.580 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.440 3.184 -13.153 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.453 5.110 -15.390 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.039 4.075 -15.420 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.328 2.083 -15.569 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.759 2.838 -14.896 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.696 4.381 -17.029 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.595 3.188 -17.689 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.854 1.731 -16.661 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.703 4.528 -18.047 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.243 3.888 -19.603 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.798 0.745 -19.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.734 1.762 -20.188 1.00 0.00 H new ATOM 705 N GLU A 48 -4.433 4.849 -11.837 1.00 0.00 N ATOM 706 CA GLU A 48 -3.057 5.030 -11.296 1.00 0.00 C ATOM 707 C GLU A 48 -2.634 3.755 -10.572 1.00 0.00 C ATOM 708 O GLU A 48 -2.134 3.791 -9.465 1.00 0.00 O ATOM 709 CB GLU A 48 -3.040 6.207 -10.319 1.00 0.00 C ATOM 710 CG GLU A 48 -3.714 7.418 -10.966 1.00 0.00 C ATOM 711 CD GLU A 48 -3.520 8.647 -10.076 1.00 0.00 C ATOM 712 OE1 GLU A 48 -3.415 8.473 -8.873 1.00 0.00 O ATOM 713 OE2 GLU A 48 -3.479 9.742 -10.613 1.00 0.00 O ATOM 0 H GLU A 48 -5.185 5.180 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.365 5.234 -12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.559 5.937 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.014 6.452 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.289 7.600 -11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.777 7.223 -11.108 1.00 0.00 H new ATOM 720 N THR A 49 -2.835 2.625 -11.189 1.00 0.00 N ATOM 721 CA THR A 49 -2.454 1.341 -10.538 1.00 0.00 C ATOM 722 C THR A 49 -1.108 0.865 -11.089 1.00 0.00 C ATOM 723 O THR A 49 -0.824 0.994 -12.263 1.00 0.00 O ATOM 724 CB THR A 49 -3.524 0.282 -10.818 1.00 0.00 C ATOM 725 OG1 THR A 49 -3.173 -0.446 -11.986 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.883 0.955 -11.023 1.00 0.00 C ATOM 0 H THR A 49 -3.247 2.535 -12.118 1.00 0.00 H new ATOM 0 HA THR A 49 -2.372 1.495 -9.462 1.00 0.00 H new ATOM 0 HB THR A 49 -3.588 -0.398 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.016 -1.385 -11.752 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.639 0.195 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.153 1.510 -10.125 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.826 1.640 -11.869 1.00 0.00 H new ATOM 734 N ARG A 50 -0.279 0.314 -10.246 1.00 0.00 N ATOM 735 CA ARG A 50 1.051 -0.175 -10.707 1.00 0.00 C ATOM 736 C ARG A 50 1.903 -0.529 -9.487 1.00 0.00 C ATOM 737 O ARG A 50 1.525 -0.271 -8.362 1.00 0.00 O ATOM 738 CB ARG A 50 1.748 0.921 -11.516 1.00 0.00 C ATOM 739 CG ARG A 50 1.665 2.247 -10.758 1.00 0.00 C ATOM 740 CD ARG A 50 2.039 3.395 -11.698 1.00 0.00 C ATOM 741 NE ARG A 50 2.685 4.487 -10.915 1.00 0.00 N ATOM 742 CZ ARG A 50 3.039 5.593 -11.509 1.00 0.00 C ATOM 743 NH1 ARG A 50 4.144 5.636 -12.202 1.00 0.00 N ATOM 744 NH2 ARG A 50 2.288 6.657 -11.411 1.00 0.00 N ATOM 0 H ARG A 50 -0.467 0.181 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 50 0.921 -1.057 -11.334 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.790 0.653 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.278 1.020 -12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.657 2.394 -10.370 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.338 2.231 -9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.717 3.038 -12.473 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.149 3.772 -12.202 1.00 0.00 H new ATOM 0 HE ARG A 50 2.850 4.369 -9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.730 4.805 -12.279 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.421 6.501 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.424 6.623 -10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.565 7.522 -11.876 1.00 0.00 H new ATOM 758 N ALA A 51 3.049 -1.116 -9.696 1.00 0.00 N ATOM 759 CA ALA A 51 3.914 -1.479 -8.538 1.00 0.00 C ATOM 760 C ALA A 51 3.968 -0.300 -7.559 1.00 0.00 C ATOM 761 O ALA A 51 4.022 0.841 -7.974 1.00 0.00 O ATOM 762 CB ALA A 51 5.325 -1.793 -9.031 1.00 0.00 C ATOM 0 H ALA A 51 3.423 -1.359 -10.613 1.00 0.00 H new ATOM 0 HA ALA A 51 3.503 -2.355 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.956 -2.058 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.288 -2.628 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.739 -0.918 -9.531 1.00 0.00 H new ATOM 768 N PRO A 52 3.943 -0.608 -6.285 1.00 0.00 N ATOM 769 CA PRO A 52 3.979 0.412 -5.247 1.00 0.00 C ATOM 770 C PRO A 52 5.383 1.018 -5.122 1.00 0.00 C ATOM 771 O PRO A 52 6.378 0.318 -5.122 1.00 0.00 O ATOM 772 CB PRO A 52 3.610 -0.334 -3.971 1.00 0.00 C ATOM 773 CG PRO A 52 4.049 -1.803 -4.267 1.00 0.00 C ATOM 774 CD PRO A 52 3.870 -1.996 -5.800 1.00 0.00 C ATOM 0 HA PRO A 52 3.304 1.240 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.130 0.073 -3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.542 -0.269 -3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.084 -1.969 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.439 -2.514 -3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.653 -2.621 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.918 -2.466 -6.045 1.00 0.00 H new ATOM 782 N LEU A 53 5.466 2.316 -5.004 1.00 0.00 N ATOM 783 CA LEU A 53 6.795 2.970 -4.860 1.00 0.00 C ATOM 784 C LEU A 53 7.512 2.378 -3.643 1.00 0.00 C ATOM 785 O LEU A 53 6.893 2.043 -2.652 1.00 0.00 O ATOM 786 CB LEU A 53 6.601 4.476 -4.655 1.00 0.00 C ATOM 787 CG LEU A 53 7.271 5.241 -5.798 1.00 0.00 C ATOM 788 CD1 LEU A 53 6.855 6.709 -5.751 1.00 0.00 C ATOM 789 CD2 LEU A 53 8.791 5.143 -5.657 1.00 0.00 C ATOM 0 H LEU A 53 4.668 2.951 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 53 7.390 2.801 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.538 4.714 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.029 4.781 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 53 6.962 4.807 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.335 7.249 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.772 6.784 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.160 7.143 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.268 5.688 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.097 5.574 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.093 4.096 -5.695 1.00 0.00 H new ATOM 801 N VAL A 54 8.808 2.244 -3.705 1.00 0.00 N ATOM 802 CA VAL A 54 9.555 1.674 -2.554 1.00 0.00 C ATOM 803 C VAL A 54 9.387 2.582 -1.335 1.00 0.00 C ATOM 804 O VAL A 54 9.390 2.130 -0.207 1.00 0.00 O ATOM 805 CB VAL A 54 11.036 1.576 -2.918 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.743 0.627 -1.953 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.176 1.047 -4.346 1.00 0.00 C ATOM 0 H VAL A 54 9.382 2.506 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 54 9.168 0.682 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 54 11.490 2.565 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.799 0.560 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.646 1.004 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.290 -0.362 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.232 0.977 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.719 0.060 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.677 1.727 -5.036 1.00 0.00 H new ATOM 817 N GLU A 55 9.240 3.861 -1.551 1.00 0.00 N ATOM 818 CA GLU A 55 9.073 4.794 -0.401 1.00 0.00 C ATOM 819 C GLU A 55 7.658 4.665 0.158 1.00 0.00 C ATOM 820 O GLU A 55 7.422 4.896 1.327 1.00 0.00 O ATOM 821 CB GLU A 55 9.314 6.232 -0.867 1.00 0.00 C ATOM 822 CG GLU A 55 8.467 6.515 -2.109 1.00 0.00 C ATOM 823 CD GLU A 55 7.884 7.927 -2.020 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.433 8.727 -1.280 1.00 0.00 O ATOM 825 OE2 GLU A 55 6.901 8.184 -2.694 1.00 0.00 O ATOM 0 H GLU A 55 9.228 4.299 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 55 9.794 4.543 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.057 6.931 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.370 6.380 -1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.077 6.418 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.663 5.783 -2.188 1.00 0.00 H new ATOM 832 N GLU A 56 6.714 4.289 -0.659 1.00 0.00 N ATOM 833 CA GLU A 56 5.322 4.135 -0.156 1.00 0.00 C ATOM 834 C GLU A 56 5.236 2.827 0.630 1.00 0.00 C ATOM 835 O GLU A 56 4.464 2.692 1.559 1.00 0.00 O ATOM 836 CB GLU A 56 4.347 4.091 -1.335 1.00 0.00 C ATOM 837 CG GLU A 56 3.085 4.882 -0.982 1.00 0.00 C ATOM 838 CD GLU A 56 2.988 6.117 -1.879 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.847 6.976 -1.765 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.057 6.184 -2.664 1.00 0.00 O ATOM 0 H GLU A 56 6.846 4.083 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 56 5.061 4.977 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.816 4.511 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.088 3.058 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.202 4.255 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.112 5.182 0.066 1.00 0.00 H new ATOM 847 N LEU A 57 6.037 1.865 0.263 1.00 0.00 N ATOM 848 CA LEU A 57 6.024 0.561 0.980 1.00 0.00 C ATOM 849 C LEU A 57 6.673 0.734 2.355 1.00 0.00 C ATOM 850 O LEU A 57 6.218 0.187 3.340 1.00 0.00 O ATOM 851 CB LEU A 57 6.816 -0.468 0.170 1.00 0.00 C ATOM 852 CG LEU A 57 6.099 -1.818 0.204 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.679 -2.143 1.639 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.857 -1.757 -0.687 1.00 0.00 C ATOM 0 H LEU A 57 6.703 1.928 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 57 4.996 0.218 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.923 -0.129 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.822 -0.570 0.578 1.00 0.00 H new ATOM 0 HG LEU A 57 6.773 -2.594 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.168 -3.106 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.563 -2.187 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.006 -1.368 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.345 -2.719 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.186 -0.980 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.154 -1.529 -1.711 1.00 0.00 H new ATOM 866 N TYR A 58 7.737 1.488 2.429 1.00 0.00 N ATOM 867 CA TYR A 58 8.415 1.691 3.741 1.00 0.00 C ATOM 868 C TYR A 58 7.591 2.655 4.598 1.00 0.00 C ATOM 869 O TYR A 58 7.505 2.513 5.802 1.00 0.00 O ATOM 870 CB TYR A 58 9.808 2.279 3.509 1.00 0.00 C ATOM 871 CG TYR A 58 10.490 2.501 4.838 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.112 3.580 5.646 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.498 1.628 5.262 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.744 3.787 6.878 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.130 1.834 6.494 1.00 0.00 C ATOM 876 CZ TYR A 58 11.753 2.914 7.301 1.00 0.00 C ATOM 877 OH TYR A 58 12.377 3.117 8.516 1.00 0.00 O ATOM 0 H TYR A 58 8.165 1.971 1.639 1.00 0.00 H new ATOM 0 HA TYR A 58 8.505 0.734 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.401 1.604 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.731 3.221 2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.333 4.253 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.788 0.795 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.453 4.620 7.501 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.908 1.160 6.822 1.00 0.00 H new ATOM 0 HH TYR A 58 13.052 2.421 8.657 1.00 0.00 H new ATOM 887 N ARG A 59 6.985 3.635 3.988 1.00 0.00 N ATOM 888 CA ARG A 59 6.168 4.609 4.765 1.00 0.00 C ATOM 889 C ARG A 59 4.951 3.895 5.353 1.00 0.00 C ATOM 890 O ARG A 59 4.460 4.250 6.407 1.00 0.00 O ATOM 891 CB ARG A 59 5.702 5.737 3.842 1.00 0.00 C ATOM 892 CG ARG A 59 4.785 6.685 4.618 1.00 0.00 C ATOM 893 CD ARG A 59 3.589 7.068 3.744 1.00 0.00 C ATOM 894 NE ARG A 59 2.466 7.521 4.610 1.00 0.00 N ATOM 895 CZ ARG A 59 2.048 8.757 4.544 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.326 9.148 3.530 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.354 9.599 5.491 1.00 0.00 N ATOM 0 H ARG A 59 7.020 3.804 2.983 1.00 0.00 H new ATOM 0 HA ARG A 59 6.770 5.027 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.562 6.283 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.173 5.324 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.441 6.206 5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.334 7.579 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.871 7.861 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.277 6.215 3.142 1.00 0.00 H new ATOM 0 HE ARG A 59 2.023 6.866 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.088 8.489 2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.000 10.113 3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.919 9.293 6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.028 10.564 5.440 1.00 0.00 H new ATOM 911 N PHE A 60 4.460 2.889 4.683 1.00 0.00 N ATOM 912 CA PHE A 60 3.277 2.153 5.206 1.00 0.00 C ATOM 913 C PHE A 60 3.712 0.763 5.670 1.00 0.00 C ATOM 914 O PHE A 60 2.962 -0.191 5.599 1.00 0.00 O ATOM 915 CB PHE A 60 2.228 2.019 4.100 1.00 0.00 C ATOM 916 CG PHE A 60 1.404 3.283 4.037 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.380 3.496 4.967 1.00 0.00 C ATOM 918 CD2 PHE A 60 1.666 4.242 3.052 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.383 4.669 4.912 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.904 5.415 2.997 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.120 5.628 3.926 1.00 0.00 C ATOM 0 H PHE A 60 4.828 2.546 3.796 1.00 0.00 H new ATOM 0 HA PHE A 60 2.848 2.700 6.045 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.715 1.840 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.585 1.161 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.178 2.756 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.456 4.077 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.173 4.834 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.107 6.155 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.708 6.533 3.883 1.00 0.00 H new ATOM 931 N ARG A 61 4.921 0.640 6.146 1.00 0.00 N ATOM 932 CA ARG A 61 5.407 -0.687 6.617 1.00 0.00 C ATOM 933 C ARG A 61 4.541 -1.163 7.785 1.00 0.00 C ATOM 934 O ARG A 61 4.321 -2.344 7.966 1.00 0.00 O ATOM 935 CB ARG A 61 6.862 -0.563 7.078 1.00 0.00 C ATOM 936 CG ARG A 61 7.585 -1.892 6.849 1.00 0.00 C ATOM 937 CD ARG A 61 8.624 -1.724 5.739 1.00 0.00 C ATOM 938 NE ARG A 61 9.886 -1.183 6.317 1.00 0.00 N ATOM 939 CZ ARG A 61 10.581 -1.902 7.155 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.337 -3.180 7.277 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.518 -1.346 7.873 1.00 0.00 N ATOM 0 H ARG A 61 5.594 1.402 6.229 1.00 0.00 H new ATOM 0 HA ARG A 61 5.344 -1.407 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.362 0.235 6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.898 -0.294 8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.070 -2.217 7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.868 -2.666 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.814 -2.683 5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.245 -1.050 4.971 1.00 0.00 H new ATOM 0 HE ARG A 61 10.207 -0.250 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.604 -3.615 6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.880 -3.743 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.708 -0.348 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.061 -1.909 8.528 1.00 0.00 H new ATOM 955 N ASP A 62 4.043 -0.252 8.577 1.00 0.00 N ATOM 956 CA ASP A 62 3.189 -0.655 9.731 1.00 0.00 C ATOM 957 C ASP A 62 1.946 -1.380 9.213 1.00 0.00 C ATOM 958 O ASP A 62 1.353 -2.188 9.899 1.00 0.00 O ATOM 959 CB ASP A 62 2.766 0.592 10.511 1.00 0.00 C ATOM 960 CG ASP A 62 2.448 0.207 11.958 1.00 0.00 C ATOM 961 OD1 ASP A 62 2.276 -0.974 12.211 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.380 1.099 12.786 1.00 0.00 O ATOM 0 H ASP A 62 4.190 0.752 8.475 1.00 0.00 H new ATOM 0 HA ASP A 62 3.751 -1.320 10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.563 1.336 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.892 1.047 10.044 1.00 0.00 H new ATOM 967 N ARG A 63 1.550 -1.098 8.002 1.00 0.00 N ATOM 968 CA ARG A 63 0.349 -1.770 7.431 1.00 0.00 C ATOM 969 C ARG A 63 0.788 -2.703 6.300 1.00 0.00 C ATOM 970 O ARG A 63 0.083 -2.899 5.332 1.00 0.00 O ATOM 971 CB ARG A 63 -0.610 -0.713 6.879 1.00 0.00 C ATOM 972 CG ARG A 63 -2.013 -1.310 6.748 1.00 0.00 C ATOM 973 CD ARG A 63 -2.787 -0.561 5.662 1.00 0.00 C ATOM 974 NE ARG A 63 -3.015 0.845 6.095 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.177 1.201 6.571 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.767 0.463 7.471 1.00 0.00 N ATOM 977 NH2 ARG A 63 -4.749 2.296 6.149 1.00 0.00 N ATOM 0 H ARG A 63 2.008 -0.430 7.382 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.156 -2.346 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.633 0.153 7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.261 -0.363 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.947 -2.369 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.540 -1.239 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.230 -0.578 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.741 -1.054 5.474 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.263 1.530 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.320 -0.392 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.675 0.741 7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.288 2.874 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.657 2.573 6.522 1.00 0.00 H new ATOM 991 N LEU A 64 1.956 -3.273 6.418 1.00 0.00 N ATOM 992 CA LEU A 64 2.454 -4.187 5.352 1.00 0.00 C ATOM 993 C LEU A 64 2.011 -5.626 5.656 1.00 0.00 C ATOM 994 O LEU A 64 2.353 -6.166 6.689 1.00 0.00 O ATOM 995 CB LEU A 64 3.985 -4.133 5.324 1.00 0.00 C ATOM 996 CG LEU A 64 4.468 -3.902 3.891 1.00 0.00 C ATOM 997 CD1 LEU A 64 5.994 -3.804 3.880 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.029 -5.072 3.009 1.00 0.00 C ATOM 0 H LEU A 64 2.588 -3.145 7.208 1.00 0.00 H new ATOM 0 HA LEU A 64 2.049 -3.877 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.342 -3.332 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.398 -5.064 5.711 1.00 0.00 H new ATOM 0 HG LEU A 64 4.039 -2.976 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.341 -3.639 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.310 -2.972 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.421 -4.731 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.373 -4.907 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.459 -5.998 3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.942 -5.146 3.018 1.00 0.00 H new ATOM 1010 N PRO A 65 1.272 -6.216 4.742 1.00 0.00 N ATOM 1011 CA PRO A 65 0.799 -7.586 4.899 1.00 0.00 C ATOM 1012 C PRO A 65 1.927 -8.590 4.603 1.00 0.00 C ATOM 1013 O PRO A 65 1.678 -9.763 4.413 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.309 -7.721 3.863 1.00 0.00 C ATOM 1015 CG PRO A 65 0.093 -6.690 2.763 1.00 0.00 C ATOM 1016 CD PRO A 65 0.847 -5.547 3.502 1.00 0.00 C ATOM 0 HA PRO A 65 0.458 -7.792 5.914 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.363 -8.734 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.286 -7.493 4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.729 -7.153 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.787 -6.307 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.695 -5.178 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.200 -4.692 3.700 1.00 0.00 H new ATOM 1024 N GLU A 66 3.157 -8.133 4.559 1.00 0.00 N ATOM 1025 CA GLU A 66 4.318 -9.031 4.282 1.00 0.00 C ATOM 1026 C GLU A 66 4.328 -9.508 2.818 1.00 0.00 C ATOM 1027 O GLU A 66 5.339 -9.960 2.325 1.00 0.00 O ATOM 1028 CB GLU A 66 4.273 -10.225 5.236 1.00 0.00 C ATOM 1029 CG GLU A 66 5.186 -11.343 4.724 1.00 0.00 C ATOM 1030 CD GLU A 66 5.262 -12.459 5.767 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.218 -12.857 6.257 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.363 -12.898 6.057 1.00 0.00 O ATOM 0 H GLU A 66 3.407 -7.155 4.707 1.00 0.00 H new ATOM 0 HA GLU A 66 5.237 -8.469 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.588 -9.916 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.250 -10.592 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.803 -11.737 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.183 -10.950 4.524 1.00 0.00 H new ATOM 1039 N LYS A 67 3.240 -9.398 2.102 1.00 0.00 N ATOM 1040 CA LYS A 67 3.243 -9.849 0.679 1.00 0.00 C ATOM 1041 C LYS A 67 4.134 -8.928 -0.166 1.00 0.00 C ATOM 1042 O LYS A 67 4.264 -9.107 -1.360 1.00 0.00 O ATOM 1043 CB LYS A 67 1.814 -9.816 0.132 1.00 0.00 C ATOM 1044 CG LYS A 67 1.800 -10.384 -1.289 1.00 0.00 C ATOM 1045 CD LYS A 67 0.553 -11.251 -1.479 1.00 0.00 C ATOM 1046 CE LYS A 67 0.932 -12.538 -2.212 1.00 0.00 C ATOM 1047 NZ LYS A 67 0.254 -13.696 -1.565 1.00 0.00 N ATOM 0 H LYS A 67 2.355 -9.018 2.438 1.00 0.00 H new ATOM 0 HA LYS A 67 3.634 -10.865 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.153 -10.398 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.437 -8.793 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.806 -9.572 -2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.698 -10.976 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.111 -11.488 -0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.199 -10.704 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.641 -12.471 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.013 -12.677 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.512 -14.572 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.553 -13.762 -0.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.777 -13.563 -1.608 1.00 0.00 H new ATOM 1061 N LEU A 68 4.752 -7.948 0.439 1.00 0.00 N ATOM 1062 CA LEU A 68 5.633 -7.028 -0.337 1.00 0.00 C ATOM 1063 C LEU A 68 6.767 -6.533 0.563 1.00 0.00 C ATOM 1064 O LEU A 68 7.398 -5.536 0.284 1.00 0.00 O ATOM 1065 CB LEU A 68 4.828 -5.822 -0.833 1.00 0.00 C ATOM 1066 CG LEU A 68 3.364 -6.212 -1.040 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.640 -6.213 0.309 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.700 -5.197 -1.972 1.00 0.00 C ATOM 0 H LEU A 68 4.685 -7.745 1.436 1.00 0.00 H new ATOM 0 HA LEU A 68 6.041 -7.566 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.896 -5.008 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.250 -5.454 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 68 3.309 -7.207 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.596 -6.491 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.116 -6.931 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.692 -5.218 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.656 -5.470 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.754 -4.204 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.216 -5.192 -2.932 1.00 0.00 H new ATOM 1080 N ARG A 69 7.026 -7.216 1.644 1.00 0.00 N ATOM 1081 CA ARG A 69 8.116 -6.773 2.560 1.00 0.00 C ATOM 1082 C ARG A 69 9.426 -6.651 1.778 1.00 0.00 C ATOM 1083 O ARG A 69 9.981 -5.578 1.641 1.00 0.00 O ATOM 1084 CB ARG A 69 8.286 -7.799 3.683 1.00 0.00 C ATOM 1085 CG ARG A 69 7.901 -7.164 5.021 1.00 0.00 C ATOM 1086 CD ARG A 69 9.124 -7.123 5.939 1.00 0.00 C ATOM 1087 NE ARG A 69 8.989 -8.167 6.994 1.00 0.00 N ATOM 1088 CZ ARG A 69 9.799 -8.170 8.017 1.00 0.00 C ATOM 1089 NH1 ARG A 69 9.810 -7.160 8.844 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.598 -9.184 8.213 1.00 0.00 N ATOM 0 H ARG A 69 6.531 -8.060 1.933 1.00 0.00 H new ATOM 0 HA ARG A 69 7.858 -5.804 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.662 -8.671 3.490 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.318 -8.147 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.520 -6.155 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.100 -7.736 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.032 -7.291 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.216 -6.138 6.397 1.00 0.00 H new ATOM 0 HE ARG A 69 8.263 -8.879 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.185 -6.368 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.443 -7.162 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.589 -9.973 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.231 -9.187 9.012 1.00 0.00 H new ATOM 1104 N TYR A 70 9.924 -7.742 1.266 1.00 0.00 N ATOM 1105 CA TYR A 70 11.198 -7.699 0.491 1.00 0.00 C ATOM 1106 C TYR A 70 11.197 -6.480 -0.432 1.00 0.00 C ATOM 1107 O TYR A 70 12.235 -5.941 -0.772 1.00 0.00 O ATOM 1108 CB TYR A 70 11.313 -8.969 -0.351 1.00 0.00 C ATOM 1109 CG TYR A 70 9.949 -9.330 -0.887 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.415 -8.623 -1.971 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.217 -10.366 -0.297 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.147 -8.954 -2.465 1.00 0.00 C ATOM 1113 CE2 TYR A 70 7.949 -10.696 -0.791 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.414 -9.990 -1.875 1.00 0.00 C ATOM 1115 OH TYR A 70 6.165 -10.315 -2.362 1.00 0.00 O ATOM 0 H TYR A 70 9.502 -8.667 1.351 1.00 0.00 H new ATOM 0 HA TYR A 70 12.041 -7.631 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.011 -8.813 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.708 -9.786 0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.980 -7.823 -2.426 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.630 -10.911 0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.735 -8.410 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.384 -11.496 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 70 5.542 -9.580 -2.183 1.00 0.00 H new ATOM 1125 N LEU A 71 10.039 -6.042 -0.845 1.00 0.00 N ATOM 1126 CA LEU A 71 9.963 -4.862 -1.749 1.00 0.00 C ATOM 1127 C LEU A 71 10.199 -3.585 -0.940 1.00 0.00 C ATOM 1128 O LEU A 71 10.964 -2.724 -1.329 1.00 0.00 O ATOM 1129 CB LEU A 71 8.578 -4.814 -2.399 1.00 0.00 C ATOM 1130 CG LEU A 71 8.614 -5.558 -3.734 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.236 -6.160 -4.019 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.979 -4.578 -4.845 1.00 0.00 C ATOM 0 H LEU A 71 9.140 -6.453 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 71 10.725 -4.942 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.839 -5.267 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.274 -3.779 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 71 9.356 -6.355 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.261 -6.691 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.971 -6.855 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.494 -5.363 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.006 -5.104 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.234 -3.784 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.958 -4.145 -4.641 1.00 0.00 H new ATOM 1144 N ALA A 72 9.553 -3.456 0.187 1.00 0.00 N ATOM 1145 CA ALA A 72 9.746 -2.237 1.020 1.00 0.00 C ATOM 1146 C ALA A 72 11.204 -2.165 1.474 1.00 0.00 C ATOM 1147 O ALA A 72 11.666 -1.149 1.956 1.00 0.00 O ATOM 1148 CB ALA A 72 8.830 -2.307 2.245 1.00 0.00 C ATOM 0 H ALA A 72 8.900 -4.142 0.566 1.00 0.00 H new ATOM 0 HA ALA A 72 9.501 -1.350 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.970 -1.415 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.791 -2.364 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.075 -3.192 2.833 1.00 0.00 H new ATOM 1154 N ASP A 73 11.935 -3.236 1.319 1.00 0.00 N ATOM 1155 CA ASP A 73 13.365 -3.229 1.735 1.00 0.00 C ATOM 1156 C ASP A 73 14.212 -2.628 0.613 1.00 0.00 C ATOM 1157 O ASP A 73 15.173 -1.925 0.853 1.00 0.00 O ATOM 1158 CB ASP A 73 13.825 -4.662 2.012 1.00 0.00 C ATOM 1159 CG ASP A 73 13.829 -4.916 3.521 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.922 -4.438 4.183 1.00 0.00 O ATOM 1161 OD2 ASP A 73 14.736 -5.583 3.988 1.00 0.00 O ATOM 0 H ASP A 73 11.603 -4.115 0.922 1.00 0.00 H new ATOM 0 HA ASP A 73 13.480 -2.633 2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.162 -5.370 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.823 -4.820 1.604 1.00 0.00 H new ATOM 1166 N ALA A 74 13.857 -2.898 -0.613 1.00 0.00 N ATOM 1167 CA ALA A 74 14.635 -2.342 -1.755 1.00 0.00 C ATOM 1168 C ALA A 74 14.813 -0.832 -1.554 1.00 0.00 C ATOM 1169 O ALA A 74 14.193 -0.251 -0.686 1.00 0.00 O ATOM 1170 CB ALA A 74 13.870 -2.597 -3.057 1.00 0.00 C ATOM 0 H ALA A 74 13.061 -3.480 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 74 15.612 -2.822 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.435 -2.192 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.734 -3.670 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.896 -2.111 -3.008 1.00 0.00 H new ATOM 1176 N PRO A 75 15.650 -0.239 -2.368 1.00 0.00 N ATOM 1177 CA PRO A 75 15.910 1.192 -2.294 1.00 0.00 C ATOM 1178 C PRO A 75 14.665 1.975 -2.719 1.00 0.00 C ATOM 1179 O PRO A 75 13.767 1.441 -3.339 1.00 0.00 O ATOM 1180 CB PRO A 75 17.059 1.426 -3.270 1.00 0.00 C ATOM 1181 CG PRO A 75 16.958 0.220 -4.255 1.00 0.00 C ATOM 1182 CD PRO A 75 16.391 -0.959 -3.415 1.00 0.00 C ATOM 0 HA PRO A 75 16.159 1.523 -1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.955 2.378 -3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.021 1.446 -2.758 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.303 0.453 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.934 -0.029 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.743 -1.609 -4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.181 -1.586 -3.002 1.00 0.00 H new ATOM 1190 N GLN A 76 14.600 3.237 -2.387 1.00 0.00 N ATOM 1191 CA GLN A 76 13.406 4.042 -2.771 1.00 0.00 C ATOM 1192 C GLN A 76 13.845 5.416 -3.276 1.00 0.00 C ATOM 1193 O GLN A 76 13.220 6.418 -2.994 1.00 0.00 O ATOM 1194 CB GLN A 76 12.494 4.214 -1.555 1.00 0.00 C ATOM 1195 CG GLN A 76 13.262 4.920 -0.436 1.00 0.00 C ATOM 1196 CD GLN A 76 12.325 5.169 0.747 1.00 0.00 C ATOM 1197 OE1 GLN A 76 11.665 6.187 0.811 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.238 4.275 1.694 1.00 0.00 N ATOM 0 H GLN A 76 15.319 3.742 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 76 12.866 3.525 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.613 4.794 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.142 3.242 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.109 4.310 -0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.667 5.865 -0.798 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.792 3.420 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.616 4.431 2.487 1.00 0.00 H new ATOM 1207 N GLN A 77 14.901 5.471 -4.039 1.00 0.00 N ATOM 1208 CA GLN A 77 15.362 6.780 -4.575 1.00 0.00 C ATOM 1209 C GLN A 77 16.807 6.664 -5.067 1.00 0.00 C ATOM 1210 O GLN A 77 17.257 7.447 -5.879 1.00 0.00 O ATOM 1211 CB GLN A 77 15.299 7.846 -3.476 1.00 0.00 C ATOM 1212 CG GLN A 77 15.689 7.222 -2.136 1.00 0.00 C ATOM 1213 CD GLN A 77 16.736 8.102 -1.449 1.00 0.00 C ATOM 1214 OE1 GLN A 77 17.821 8.289 -1.964 1.00 0.00 O ATOM 1215 NE2 GLN A 77 16.456 8.653 -0.300 1.00 0.00 N ATOM 0 H GLN A 77 15.464 4.666 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 77 14.713 7.065 -5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.972 8.670 -3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.294 8.263 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 77 14.810 7.121 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.087 6.219 -2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.546 8.496 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.148 9.241 0.166 1.00 0.00 H new ATOM 1224 N ASP A 78 17.541 5.702 -4.573 1.00 0.00 N ATOM 1225 CA ASP A 78 18.960 5.544 -5.003 1.00 0.00 C ATOM 1226 C ASP A 78 19.834 6.566 -4.264 1.00 0.00 C ATOM 1227 O ASP A 78 19.335 7.552 -3.758 1.00 0.00 O ATOM 1228 CB ASP A 78 19.073 5.770 -6.514 1.00 0.00 C ATOM 1229 CG ASP A 78 19.857 4.620 -7.145 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.733 3.508 -6.658 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.570 4.871 -8.101 1.00 0.00 O ATOM 0 H ASP A 78 17.218 5.018 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 78 19.298 4.535 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.080 5.834 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 78 19.573 6.718 -6.714 1.00 0.00 H new ATOM 1236 N PRO A 79 21.117 6.294 -4.219 1.00 0.00 N ATOM 1237 CA PRO A 79 22.075 7.166 -3.547 1.00 0.00 C ATOM 1238 C PRO A 79 21.967 8.608 -4.063 1.00 0.00 C ATOM 1239 O PRO A 79 22.482 9.528 -3.458 1.00 0.00 O ATOM 1240 CB PRO A 79 23.439 6.577 -3.900 1.00 0.00 C ATOM 1241 CG PRO A 79 23.118 5.083 -4.212 1.00 0.00 C ATOM 1242 CD PRO A 79 21.695 5.089 -4.834 1.00 0.00 C ATOM 0 HA PRO A 79 21.901 7.212 -2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 79 23.884 7.080 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.144 6.673 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.847 4.660 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.149 4.477 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.722 5.155 -5.922 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.133 4.189 -4.583 1.00 0.00 H new ATOM 1250 N GLU A 80 21.314 8.817 -5.174 1.00 0.00 N ATOM 1251 CA GLU A 80 21.192 10.202 -5.713 1.00 0.00 C ATOM 1252 C GLU A 80 19.947 10.873 -5.128 1.00 0.00 C ATOM 1253 O GLU A 80 19.922 12.066 -4.903 1.00 0.00 O ATOM 1254 CB GLU A 80 21.072 10.145 -7.237 1.00 0.00 C ATOM 1255 CG GLU A 80 21.176 11.561 -7.810 1.00 0.00 C ATOM 1256 CD GLU A 80 21.345 11.487 -9.329 1.00 0.00 C ATOM 1257 OE1 GLU A 80 20.770 10.590 -9.926 1.00 0.00 O ATOM 1258 OE2 GLU A 80 22.045 12.325 -9.869 1.00 0.00 O ATOM 0 H GLU A 80 20.861 8.092 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 80 22.076 10.778 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.859 9.515 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.121 9.695 -7.521 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.282 12.132 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.022 12.084 -7.364 1.00 0.00 H new ATOM 1265 N GLY A 81 18.915 10.116 -4.878 1.00 0.00 N ATOM 1266 CA GLY A 81 17.675 10.714 -4.304 1.00 0.00 C ATOM 1267 C GLY A 81 16.507 10.494 -5.264 1.00 0.00 C ATOM 1268 O GLY A 81 15.384 10.299 -4.845 1.00 0.00 O ATOM 0 H GLY A 81 18.876 9.111 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.455 10.261 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.820 11.780 -4.130 1.00 0.00 H new ATOM 1272 N ASN A 82 16.760 10.523 -6.548 1.00 0.00 N ATOM 1273 CA ASN A 82 15.652 10.307 -7.527 1.00 0.00 C ATOM 1274 C ASN A 82 14.787 9.149 -7.031 1.00 0.00 C ATOM 1275 O ASN A 82 15.121 7.996 -7.217 1.00 0.00 O ATOM 1276 CB ASN A 82 16.217 9.969 -8.914 1.00 0.00 C ATOM 1277 CG ASN A 82 17.643 9.419 -8.790 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.592 10.070 -9.180 1.00 0.00 O ATOM 1279 ND2 ASN A 82 17.833 8.243 -8.260 1.00 0.00 N ATOM 0 H ASN A 82 17.679 10.686 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 82 15.058 11.217 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.578 9.235 -9.405 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.217 10.861 -9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.778 7.870 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.036 7.696 -7.933 1.00 0.00 H new ATOM 1286 N LYS A 83 13.695 9.458 -6.376 1.00 0.00 N ATOM 1287 CA LYS A 83 12.803 8.397 -5.826 1.00 0.00 C ATOM 1288 C LYS A 83 12.807 7.162 -6.717 1.00 0.00 C ATOM 1289 O LYS A 83 12.992 7.239 -7.913 1.00 0.00 O ATOM 1290 CB LYS A 83 11.386 8.933 -5.709 1.00 0.00 C ATOM 1291 CG LYS A 83 11.257 9.672 -4.383 1.00 0.00 C ATOM 1292 CD LYS A 83 11.099 11.168 -4.649 1.00 0.00 C ATOM 1293 CE LYS A 83 9.718 11.629 -4.182 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.471 13.020 -4.656 1.00 0.00 N ATOM 0 H LYS A 83 13.382 10.412 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 83 13.175 8.113 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.165 9.603 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.666 8.116 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.397 9.297 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.138 9.492 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.876 11.725 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.222 11.374 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.950 10.960 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.658 11.588 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.532 13.333 -4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.198 13.654 -4.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.511 13.045 -5.695 1.00 0.00 H new ATOM 1308 N THR A 84 12.611 6.020 -6.128 1.00 0.00 N ATOM 1309 CA THR A 84 12.610 4.764 -6.918 1.00 0.00 C ATOM 1310 C THR A 84 11.347 3.971 -6.590 1.00 0.00 C ATOM 1311 O THR A 84 11.030 3.739 -5.439 1.00 0.00 O ATOM 1312 CB THR A 84 13.856 3.957 -6.554 1.00 0.00 C ATOM 1313 OG1 THR A 84 14.940 4.846 -6.333 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.213 3.016 -7.692 1.00 0.00 C ATOM 0 H THR A 84 12.451 5.902 -5.128 1.00 0.00 H new ATOM 0 HA THR A 84 12.622 4.982 -7.986 1.00 0.00 H new ATOM 0 HB THR A 84 13.657 3.377 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.538 4.832 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.102 2.444 -7.426 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.383 2.333 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.411 3.595 -8.594 1.00 0.00 H new ATOM 1322 N MET A 85 10.610 3.564 -7.587 1.00 0.00 N ATOM 1323 CA MET A 85 9.359 2.804 -7.308 1.00 0.00 C ATOM 1324 C MET A 85 9.543 1.331 -7.674 1.00 0.00 C ATOM 1325 O MET A 85 10.557 0.933 -8.207 1.00 0.00 O ATOM 1326 CB MET A 85 8.192 3.412 -8.100 1.00 0.00 C ATOM 1327 CG MET A 85 8.111 2.796 -9.494 1.00 0.00 C ATOM 1328 SD MET A 85 6.669 3.450 -10.365 1.00 0.00 S ATOM 1329 CE MET A 85 5.883 1.855 -10.694 1.00 0.00 C ATOM 0 H MET A 85 10.817 3.723 -8.573 1.00 0.00 H new ATOM 0 HA MET A 85 9.133 2.869 -6.244 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.256 3.243 -7.567 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.323 4.491 -8.180 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.019 3.020 -10.054 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.042 1.711 -9.419 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.857 2.016 -11.024 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.437 1.330 -11.473 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.881 1.256 -9.784 1.00 0.00 H new ATOM 1339 N VAL A 86 8.566 0.520 -7.387 1.00 0.00 N ATOM 1340 CA VAL A 86 8.682 -0.923 -7.714 1.00 0.00 C ATOM 1341 C VAL A 86 8.193 -1.168 -9.144 1.00 0.00 C ATOM 1342 O VAL A 86 7.389 -0.428 -9.674 1.00 0.00 O ATOM 1343 CB VAL A 86 7.831 -1.732 -6.735 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.669 -3.163 -7.255 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.523 -1.761 -5.370 1.00 0.00 C ATOM 0 H VAL A 86 7.692 0.796 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 86 9.724 -1.232 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 86 6.848 -1.270 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.062 -3.738 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.180 -3.143 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.650 -3.628 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.920 -2.337 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.505 -2.224 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.638 -0.743 -4.999 1.00 0.00 H new ATOM 1355 N ARG A 87 8.671 -2.211 -9.761 1.00 0.00 N ATOM 1356 CA ARG A 87 8.242 -2.537 -11.150 1.00 0.00 C ATOM 1357 C ARG A 87 8.059 -4.052 -11.248 1.00 0.00 C ATOM 1358 O ARG A 87 8.172 -4.759 -10.267 1.00 0.00 O ATOM 1359 CB ARG A 87 9.316 -2.092 -12.145 1.00 0.00 C ATOM 1360 CG ARG A 87 9.862 -0.727 -11.730 1.00 0.00 C ATOM 1361 CD ARG A 87 8.860 0.355 -12.133 1.00 0.00 C ATOM 1362 NE ARG A 87 9.593 1.590 -12.529 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.467 2.065 -13.738 1.00 0.00 C ATOM 1364 NH1 ARG A 87 8.406 2.751 -14.062 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.404 1.855 -14.623 1.00 0.00 N ATOM 0 H ARG A 87 9.348 -2.859 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 87 7.310 -2.022 -11.383 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.123 -2.824 -12.176 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.896 -2.037 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.031 -0.701 -10.654 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.824 -0.545 -12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.244 0.004 -12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.187 0.569 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 87 10.194 2.065 -11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.675 2.916 -13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.308 3.122 -15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.234 1.320 -14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.305 2.226 -15.568 1.00 0.00 H new ATOM 1379 N PHE A 88 7.790 -4.566 -12.414 1.00 0.00 N ATOM 1380 CA PHE A 88 7.620 -6.041 -12.537 1.00 0.00 C ATOM 1381 C PHE A 88 8.239 -6.533 -13.844 1.00 0.00 C ATOM 1382 O PHE A 88 8.005 -5.984 -14.903 1.00 0.00 O ATOM 1383 CB PHE A 88 6.135 -6.402 -12.521 1.00 0.00 C ATOM 1384 CG PHE A 88 5.994 -7.904 -12.602 1.00 0.00 C ATOM 1385 CD1 PHE A 88 5.911 -8.534 -13.850 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.954 -8.667 -11.429 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.787 -9.927 -13.924 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.830 -10.059 -11.503 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.747 -10.689 -12.750 1.00 0.00 C ATOM 0 H PHE A 88 7.681 -4.037 -13.279 1.00 0.00 H new ATOM 0 HA PHE A 88 8.120 -6.518 -11.694 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.666 -6.028 -11.611 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.624 -5.930 -13.360 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.943 -7.946 -14.755 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.019 -8.181 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.722 -10.413 -14.886 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.798 -10.647 -10.598 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.652 -11.763 -12.807 1.00 0.00 H new ATOM 1399 N SER A 89 9.019 -7.574 -13.776 1.00 0.00 N ATOM 1400 CA SER A 89 9.648 -8.119 -15.009 1.00 0.00 C ATOM 1401 C SER A 89 8.979 -9.449 -15.355 1.00 0.00 C ATOM 1402 O SER A 89 8.800 -10.302 -14.507 1.00 0.00 O ATOM 1403 CB SER A 89 11.142 -8.342 -14.768 1.00 0.00 C ATOM 1404 OG SER A 89 11.368 -9.707 -14.445 1.00 0.00 O ATOM 0 H SER A 89 9.249 -8.072 -12.916 1.00 0.00 H new ATOM 0 HA SER A 89 9.522 -7.416 -15.832 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.710 -8.068 -15.657 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.491 -7.702 -13.957 1.00 0.00 H new ATOM 0 HG SER A 89 10.552 -10.093 -14.064 1.00 0.00 H new ATOM 1410 N ARG A 90 8.606 -9.636 -16.591 1.00 0.00 N ATOM 1411 CA ARG A 90 7.947 -10.913 -16.980 1.00 0.00 C ATOM 1412 C ARG A 90 9.015 -11.923 -17.392 1.00 0.00 C ATOM 1413 O ARG A 90 8.773 -13.114 -17.440 1.00 0.00 O ATOM 1414 CB ARG A 90 6.997 -10.663 -18.152 1.00 0.00 C ATOM 1415 CG ARG A 90 6.268 -9.333 -17.943 1.00 0.00 C ATOM 1416 CD ARG A 90 5.403 -9.026 -19.167 1.00 0.00 C ATOM 1417 NE ARG A 90 6.028 -7.924 -19.951 1.00 0.00 N ATOM 1418 CZ ARG A 90 5.858 -6.684 -19.582 1.00 0.00 C ATOM 1419 NH1 ARG A 90 6.639 -6.161 -18.676 1.00 0.00 N ATOM 1420 NH2 ARG A 90 4.908 -5.967 -20.117 1.00 0.00 N ATOM 0 H ARG A 90 8.729 -8.961 -17.346 1.00 0.00 H new ATOM 0 HA ARG A 90 7.379 -11.305 -16.136 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.555 -10.641 -19.088 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.276 -11.477 -18.230 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.647 -9.384 -17.049 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.990 -8.532 -17.785 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.302 -9.917 -19.787 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.399 -8.740 -18.854 1.00 0.00 H new ATOM 0 HE ARG A 90 6.588 -8.139 -20.776 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.381 -6.722 -18.257 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.507 -5.192 -18.387 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.297 -6.376 -20.824 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.776 -4.998 -19.828 1.00 0.00 H new ATOM 1434 N LYS A 91 10.200 -11.460 -17.679 1.00 0.00 N ATOM 1435 CA LYS A 91 11.285 -12.397 -18.074 1.00 0.00 C ATOM 1436 C LYS A 91 11.596 -13.320 -16.896 1.00 0.00 C ATOM 1437 O LYS A 91 12.101 -14.412 -17.063 1.00 0.00 O ATOM 1438 CB LYS A 91 12.539 -11.601 -18.446 1.00 0.00 C ATOM 1439 CG LYS A 91 12.363 -10.985 -19.834 1.00 0.00 C ATOM 1440 CD LYS A 91 11.366 -9.826 -19.760 1.00 0.00 C ATOM 1441 CE LYS A 91 11.840 -8.808 -18.721 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.865 -7.450 -19.333 1.00 0.00 N ATOM 0 H LYS A 91 10.462 -10.475 -17.657 1.00 0.00 H new ATOM 0 HA LYS A 91 10.968 -12.988 -18.933 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.716 -10.817 -17.709 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.412 -12.253 -18.435 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.323 -10.629 -20.209 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.007 -11.740 -20.535 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.274 -9.349 -20.736 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.377 -10.200 -19.493 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.175 -8.817 -17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.834 -9.075 -18.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.187 -6.757 -18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.516 -7.447 -20.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.909 -7.197 -19.655 1.00 0.00 H new ATOM 1456 N THR A 92 11.292 -12.887 -15.702 1.00 0.00 N ATOM 1457 CA THR A 92 11.564 -13.737 -14.508 1.00 0.00 C ATOM 1458 C THR A 92 10.385 -13.650 -13.537 1.00 0.00 C ATOM 1459 O THR A 92 10.430 -14.178 -12.444 1.00 0.00 O ATOM 1460 CB THR A 92 12.832 -13.242 -13.807 1.00 0.00 C ATOM 1461 OG1 THR A 92 12.689 -11.863 -13.495 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.037 -13.437 -14.726 1.00 0.00 C ATOM 0 H THR A 92 10.867 -11.981 -15.502 1.00 0.00 H new ATOM 0 HA THR A 92 11.700 -14.771 -14.825 1.00 0.00 H new ATOM 0 HB THR A 92 12.985 -13.810 -12.889 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.046 -11.453 -14.110 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.938 -13.084 -14.224 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.145 -14.495 -14.964 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.888 -12.871 -15.646 1.00 0.00 H new ATOM 1470 N LYS A 93 9.328 -12.986 -13.923 1.00 0.00 N ATOM 1471 CA LYS A 93 8.157 -12.867 -13.012 1.00 0.00 C ATOM 1472 C LYS A 93 8.638 -12.429 -11.628 1.00 0.00 C ATOM 1473 O LYS A 93 8.373 -13.077 -10.634 1.00 0.00 O ATOM 1474 CB LYS A 93 7.452 -14.221 -12.905 1.00 0.00 C ATOM 1475 CG LYS A 93 6.438 -14.361 -14.042 1.00 0.00 C ATOM 1476 CD LYS A 93 7.029 -15.236 -15.150 1.00 0.00 C ATOM 1477 CE LYS A 93 5.983 -16.252 -15.611 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.631 -15.627 -15.571 1.00 0.00 N ATOM 0 H LYS A 93 9.227 -12.523 -14.826 1.00 0.00 H new ATOM 0 HA LYS A 93 7.460 -12.128 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.183 -15.028 -12.954 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.948 -14.305 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.515 -14.804 -13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.182 -13.378 -14.438 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.343 -14.615 -15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.917 -15.752 -14.785 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.209 -16.589 -16.622 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.008 -17.132 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.019 -16.078 -16.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.217 -15.755 -14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.712 -14.611 -15.778 1.00 0.00 H new ATOM 1492 N GLN A 94 9.348 -11.335 -11.554 1.00 0.00 N ATOM 1493 CA GLN A 94 9.850 -10.863 -10.232 1.00 0.00 C ATOM 1494 C GLN A 94 9.546 -9.372 -10.065 1.00 0.00 C ATOM 1495 O GLN A 94 8.843 -8.779 -10.858 1.00 0.00 O ATOM 1496 CB GLN A 94 11.363 -11.082 -10.153 1.00 0.00 C ATOM 1497 CG GLN A 94 11.663 -12.581 -10.077 1.00 0.00 C ATOM 1498 CD GLN A 94 13.105 -12.842 -10.519 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.453 -13.956 -10.858 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.965 -11.859 -10.528 1.00 0.00 N ATOM 0 H GLN A 94 9.601 -10.749 -12.350 1.00 0.00 H new ATOM 0 HA GLN A 94 9.355 -11.424 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.849 -10.648 -11.026 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.769 -10.575 -9.277 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.514 -12.940 -9.059 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.972 -13.133 -10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.674 -10.924 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.928 -12.027 -10.819 1.00 0.00 H new ATOM 1509 N GLN A 95 10.075 -8.765 -9.037 1.00 0.00 N ATOM 1510 CA GLN A 95 9.822 -7.313 -8.815 1.00 0.00 C ATOM 1511 C GLN A 95 11.136 -6.540 -8.941 1.00 0.00 C ATOM 1512 O GLN A 95 12.095 -6.806 -8.243 1.00 0.00 O ATOM 1513 CB GLN A 95 9.243 -7.099 -7.413 1.00 0.00 C ATOM 1514 CG GLN A 95 8.068 -6.124 -7.488 1.00 0.00 C ATOM 1515 CD GLN A 95 6.852 -6.832 -8.085 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.951 -7.950 -8.550 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.697 -6.223 -8.091 1.00 0.00 N ATOM 0 H GLN A 95 10.672 -9.212 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 95 9.113 -6.954 -9.561 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.913 -8.050 -6.995 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.012 -6.708 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.830 -5.748 -6.493 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.336 -5.262 -8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.613 -5.284 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.878 -6.686 -8.486 1.00 0.00 H new ATOM 1526 N TYR A 96 11.187 -5.576 -9.820 1.00 0.00 N ATOM 1527 CA TYR A 96 12.436 -4.779 -9.980 1.00 0.00 C ATOM 1528 C TYR A 96 12.100 -3.295 -9.805 1.00 0.00 C ATOM 1529 O TYR A 96 11.151 -2.800 -10.369 1.00 0.00 O ATOM 1530 CB TYR A 96 13.035 -5.029 -11.373 1.00 0.00 C ATOM 1531 CG TYR A 96 12.307 -4.207 -12.412 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.664 -2.870 -12.620 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.280 -4.782 -13.169 1.00 0.00 C ATOM 1534 CE1 TYR A 96 11.995 -2.107 -13.584 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.610 -4.020 -14.134 1.00 0.00 C ATOM 1536 CZ TYR A 96 10.968 -2.682 -14.340 1.00 0.00 C ATOM 1537 OH TYR A 96 10.307 -1.931 -15.292 1.00 0.00 O ATOM 0 H TYR A 96 10.418 -5.306 -10.434 1.00 0.00 H new ATOM 0 HA TYR A 96 13.168 -5.077 -9.229 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.094 -4.772 -11.372 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.964 -6.088 -11.622 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.457 -2.426 -12.036 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.004 -5.814 -13.009 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.271 -1.075 -13.744 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.818 -4.464 -14.719 1.00 0.00 H new ATOM 0 HH TYR A 96 9.623 -2.482 -15.727 1.00 0.00 H new ATOM 1547 N VAL A 97 12.861 -2.582 -9.023 1.00 0.00 N ATOM 1548 CA VAL A 97 12.556 -1.135 -8.819 1.00 0.00 C ATOM 1549 C VAL A 97 13.261 -0.300 -9.887 1.00 0.00 C ATOM 1550 O VAL A 97 14.141 -0.769 -10.579 1.00 0.00 O ATOM 1551 CB VAL A 97 13.035 -0.692 -7.433 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.000 -1.091 -6.383 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.371 -1.366 -7.112 1.00 0.00 C ATOM 0 H VAL A 97 13.675 -2.933 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 97 11.479 -0.988 -8.895 1.00 0.00 H new ATOM 0 HB VAL A 97 13.163 0.390 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.342 -0.775 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.049 -0.610 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.870 -2.173 -6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.710 -1.050 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.244 -2.449 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.111 -1.080 -7.859 1.00 0.00 H new ATOM 1563 N SER A 98 12.872 0.938 -10.026 1.00 0.00 N ATOM 1564 CA SER A 98 13.508 1.813 -11.044 1.00 0.00 C ATOM 1565 C SER A 98 13.457 3.265 -10.561 1.00 0.00 C ATOM 1566 O SER A 98 12.402 3.805 -10.289 1.00 0.00 O ATOM 1567 CB SER A 98 12.755 1.679 -12.367 1.00 0.00 C ATOM 1568 OG SER A 98 13.562 0.971 -13.298 1.00 0.00 O ATOM 0 H SER A 98 12.137 1.381 -9.474 1.00 0.00 H new ATOM 0 HA SER A 98 14.547 1.517 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.813 1.153 -12.211 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.508 2.665 -12.759 1.00 0.00 H new ATOM 0 HG SER A 98 14.454 1.376 -13.332 1.00 0.00 H new ATOM 1574 N SER A 99 14.593 3.896 -10.446 1.00 0.00 N ATOM 1575 CA SER A 99 14.622 5.311 -9.978 1.00 0.00 C ATOM 1576 C SER A 99 14.111 6.224 -11.096 1.00 0.00 C ATOM 1577 O SER A 99 14.102 5.856 -12.253 1.00 0.00 O ATOM 1578 CB SER A 99 16.055 5.702 -9.621 1.00 0.00 C ATOM 1579 OG SER A 99 16.700 4.600 -8.997 1.00 0.00 O ATOM 0 H SER A 99 15.505 3.491 -10.657 1.00 0.00 H new ATOM 0 HA SER A 99 13.987 5.416 -9.098 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.599 5.996 -10.519 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.054 6.563 -8.953 1.00 0.00 H new ATOM 0 HG SER A 99 16.720 3.840 -9.615 1.00 0.00 H new ATOM 1585 N GLU A 100 13.689 7.411 -10.760 1.00 0.00 N ATOM 1586 CA GLU A 100 13.183 8.346 -11.803 1.00 0.00 C ATOM 1587 C GLU A 100 13.449 9.787 -11.363 1.00 0.00 C ATOM 1588 O GLU A 100 12.899 10.259 -10.388 1.00 0.00 O ATOM 1589 CB GLU A 100 11.679 8.137 -11.990 1.00 0.00 C ATOM 1590 CG GLU A 100 11.436 7.224 -13.195 1.00 0.00 C ATOM 1591 CD GLU A 100 10.625 6.004 -12.756 1.00 0.00 C ATOM 1592 OE1 GLU A 100 9.530 6.195 -12.253 1.00 0.00 O ATOM 1593 OE2 GLU A 100 11.113 4.900 -12.929 1.00 0.00 O ATOM 0 H GLU A 100 13.673 7.774 -9.807 1.00 0.00 H new ATOM 0 HA GLU A 100 13.694 8.153 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.248 7.694 -11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.184 9.096 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.902 7.767 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.387 6.907 -13.622 1.00 0.00 H new ATOM 1600 N LYS A 101 14.289 10.489 -12.073 1.00 0.00 N ATOM 1601 CA LYS A 101 14.588 11.896 -11.692 1.00 0.00 C ATOM 1602 C LYS A 101 13.293 12.702 -11.605 1.00 0.00 C ATOM 1603 O LYS A 101 12.209 12.155 -11.560 1.00 0.00 O ATOM 1604 CB LYS A 101 15.508 12.519 -12.724 1.00 0.00 C ATOM 1605 CG LYS A 101 16.781 12.945 -12.007 1.00 0.00 C ATOM 1606 CD LYS A 101 17.986 12.621 -12.878 1.00 0.00 C ATOM 1607 CE LYS A 101 18.677 13.917 -13.300 1.00 0.00 C ATOM 1608 NZ LYS A 101 20.109 13.873 -12.894 1.00 0.00 N ATOM 0 H LYS A 101 14.780 10.148 -12.900 1.00 0.00 H new ATOM 0 HA LYS A 101 15.077 11.904 -10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.735 11.805 -13.516 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.029 13.377 -13.196 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.750 14.013 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.862 12.430 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.683 11.987 -12.330 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.671 12.062 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.598 14.049 -14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.183 14.772 -12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 20.579 14.755 -13.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 20.174 13.767 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 20.576 13.066 -13.355 1.00 0.00 H new ATOM 1622 N ASP A 102 13.401 14.000 -11.571 1.00 0.00 N ATOM 1623 CA ASP A 102 12.181 14.852 -11.476 1.00 0.00 C ATOM 1624 C ASP A 102 11.294 14.639 -12.705 1.00 0.00 C ATOM 1625 O ASP A 102 10.161 15.075 -12.744 1.00 0.00 O ATOM 1626 CB ASP A 102 12.592 16.324 -11.392 1.00 0.00 C ATOM 1627 CG ASP A 102 12.518 16.792 -9.937 1.00 0.00 C ATOM 1628 OD1 ASP A 102 11.610 16.365 -9.243 1.00 0.00 O ATOM 1629 OD2 ASP A 102 13.371 17.570 -9.542 1.00 0.00 O ATOM 0 H ASP A 102 14.284 14.510 -11.605 1.00 0.00 H new ATOM 0 HA ASP A 102 11.622 14.575 -10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 102 13.604 16.452 -11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 102 11.936 16.932 -12.015 1.00 0.00 H new ATOM 1634 N GLY A 103 11.795 13.975 -13.705 1.00 0.00 N ATOM 1635 CA GLY A 103 10.971 13.738 -14.925 1.00 0.00 C ATOM 1636 C GLY A 103 11.881 13.459 -16.123 1.00 0.00 C ATOM 1637 O GLY A 103 11.757 14.072 -17.165 1.00 0.00 O ATOM 0 H GLY A 103 12.737 13.586 -13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.300 12.894 -14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.346 14.608 -15.127 1.00 0.00 H new ATOM 1641 N LYS A 104 12.793 12.537 -15.987 1.00 0.00 N ATOM 1642 CA LYS A 104 13.707 12.220 -17.123 1.00 0.00 C ATOM 1643 C LYS A 104 14.034 10.724 -17.119 1.00 0.00 C ATOM 1644 O LYS A 104 14.918 10.274 -17.819 1.00 0.00 O ATOM 1645 CB LYS A 104 15.003 13.023 -16.986 1.00 0.00 C ATOM 1646 CG LYS A 104 15.297 13.280 -15.508 1.00 0.00 C ATOM 1647 CD LYS A 104 14.979 14.738 -15.171 1.00 0.00 C ATOM 1648 CE LYS A 104 16.283 15.526 -15.031 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.334 16.591 -16.072 1.00 0.00 N ATOM 0 H LYS A 104 12.946 11.989 -15.140 1.00 0.00 H new ATOM 0 HA LYS A 104 13.216 12.483 -18.060 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.830 12.478 -17.442 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.913 13.970 -17.519 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.700 12.613 -14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.344 13.065 -15.292 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.359 15.176 -15.953 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.408 14.792 -14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.347 15.970 -14.038 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.137 14.858 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.220 17.127 -15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.292 16.156 -17.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.526 17.234 -15.950 1.00 0.00 H new ATOM 1663 N ALA A 105 13.326 9.952 -16.338 1.00 0.00 N ATOM 1664 CA ALA A 105 13.596 8.485 -16.291 1.00 0.00 C ATOM 1665 C ALA A 105 15.107 8.245 -16.273 1.00 0.00 C ATOM 1666 O ALA A 105 15.686 7.802 -17.245 1.00 0.00 O ATOM 1667 CB ALA A 105 12.987 7.813 -17.522 1.00 0.00 C ATOM 0 H ALA A 105 12.572 10.274 -15.731 1.00 0.00 H new ATOM 0 HA ALA A 105 13.150 8.063 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.185 6.742 -17.487 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.910 7.983 -17.534 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.431 8.234 -18.424 1.00 0.00 H new ATOM 1673 N THR A 106 15.750 8.535 -15.176 1.00 0.00 N ATOM 1674 CA THR A 106 17.221 8.327 -15.096 1.00 0.00 C ATOM 1675 C THR A 106 17.584 6.976 -15.719 1.00 0.00 C ATOM 1676 O THR A 106 18.566 6.851 -16.424 1.00 0.00 O ATOM 1677 CB THR A 106 17.658 8.352 -13.629 1.00 0.00 C ATOM 1678 OG1 THR A 106 16.723 7.625 -12.846 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.720 9.800 -13.143 1.00 0.00 C ATOM 0 H THR A 106 15.318 8.908 -14.330 1.00 0.00 H new ATOM 0 HA THR A 106 17.731 9.122 -15.641 1.00 0.00 H new ATOM 0 HB THR A 106 18.643 7.895 -13.532 1.00 0.00 H new ATOM 0 HG1 THR A 106 17.002 7.639 -11.907 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.031 9.820 -12.098 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.438 10.356 -13.746 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.735 10.258 -13.237 1.00 0.00 H new ATOM 1687 N GLY A 107 16.799 5.964 -15.468 1.00 0.00 N ATOM 1688 CA GLY A 107 17.101 4.626 -16.052 1.00 0.00 C ATOM 1689 C GLY A 107 17.404 3.631 -14.930 1.00 0.00 C ATOM 1690 O GLY A 107 17.291 2.434 -15.104 1.00 0.00 O ATOM 0 H GLY A 107 15.963 6.005 -14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 107 16.254 4.276 -16.642 1.00 0.00 H new ATOM 0 HA3 GLY A 107 17.953 4.697 -16.728 1.00 0.00 H new ATOM 1694 N TRP A 108 17.789 4.115 -13.782 1.00 0.00 N ATOM 1695 CA TRP A 108 18.098 3.196 -12.650 1.00 0.00 C ATOM 1696 C TRP A 108 17.025 2.107 -12.569 1.00 0.00 C ATOM 1697 O TRP A 108 15.843 2.385 -12.598 1.00 0.00 O ATOM 1698 CB TRP A 108 18.118 3.989 -11.342 1.00 0.00 C ATOM 1699 CG TRP A 108 18.863 3.219 -10.300 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.197 3.290 -10.091 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.345 2.268 -9.323 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.532 2.444 -9.050 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.427 1.793 -8.544 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.057 1.777 -9.038 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.237 0.863 -7.520 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.864 0.843 -8.009 1.00 0.00 C ATOM 1707 CH2 TRP A 108 17.952 0.387 -7.252 1.00 0.00 C ATOM 0 H TRP A 108 17.903 5.108 -13.578 1.00 0.00 H new ATOM 0 HA TRP A 108 19.072 2.735 -12.812 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.591 4.958 -11.500 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.099 4.182 -11.007 1.00 0.00 H new ATOM 0 HD1 TRP A 108 20.888 3.907 -10.646 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.481 2.317 -8.699 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.212 2.122 -9.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.078 0.514 -6.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.871 0.473 -7.799 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.796 -0.332 -6.462 1.00 0.00 H new ATOM 1718 N SER A 109 17.428 0.870 -12.469 1.00 0.00 N ATOM 1719 CA SER A 109 16.431 -0.233 -12.388 1.00 0.00 C ATOM 1720 C SER A 109 17.033 -1.411 -11.617 1.00 0.00 C ATOM 1721 O SER A 109 17.771 -2.207 -12.160 1.00 0.00 O ATOM 1722 CB SER A 109 16.059 -0.690 -13.798 1.00 0.00 C ATOM 1723 OG SER A 109 17.218 -1.192 -14.450 1.00 0.00 O ATOM 0 H SER A 109 18.404 0.576 -12.440 1.00 0.00 H new ATOM 0 HA SER A 109 15.539 0.124 -11.873 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.291 -1.462 -13.752 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.641 0.142 -14.364 1.00 0.00 H new ATOM 0 HG SER A 109 17.945 -0.539 -14.374 1.00 0.00 H new ATOM 1729 N ALA A 110 16.720 -1.530 -10.356 1.00 0.00 N ATOM 1730 CA ALA A 110 17.276 -2.659 -9.557 1.00 0.00 C ATOM 1731 C ALA A 110 16.329 -3.855 -9.651 1.00 0.00 C ATOM 1732 O ALA A 110 15.147 -3.706 -9.888 1.00 0.00 O ATOM 1733 CB ALA A 110 17.415 -2.235 -8.094 1.00 0.00 C ATOM 0 H ALA A 110 16.105 -0.896 -9.845 1.00 0.00 H new ATOM 0 HA ALA A 110 18.256 -2.933 -9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.822 -3.062 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.086 -1.379 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.436 -1.961 -7.700 1.00 0.00 H new ATOM 1739 N PHE A 111 16.835 -5.043 -9.469 1.00 0.00 N ATOM 1740 CA PHE A 111 15.955 -6.242 -9.551 1.00 0.00 C ATOM 1741 C PHE A 111 16.019 -7.014 -8.237 1.00 0.00 C ATOM 1742 O PHE A 111 17.005 -6.982 -7.541 1.00 0.00 O ATOM 1743 CB PHE A 111 16.425 -7.155 -10.687 1.00 0.00 C ATOM 1744 CG PHE A 111 16.355 -6.422 -12.001 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.434 -5.637 -12.421 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.216 -6.536 -12.806 1.00 0.00 C ATOM 1747 CE1 PHE A 111 17.375 -4.965 -13.645 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.156 -5.864 -14.030 1.00 0.00 C ATOM 1749 CZ PHE A 111 16.236 -5.079 -14.449 1.00 0.00 C ATOM 0 H PHE A 111 17.816 -5.235 -9.268 1.00 0.00 H new ATOM 0 HA PHE A 111 14.932 -5.918 -9.741 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.447 -7.485 -10.500 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.803 -8.049 -10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.313 -5.550 -11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.384 -7.143 -12.482 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.208 -4.359 -13.970 1.00 0.00 H new ATOM 0 HE2 PHE A 111 14.277 -5.950 -14.652 1.00 0.00 H new ATOM 0 HZ PHE A 111 16.190 -4.560 -15.395 1.00 0.00 H new ATOM 1759 N TYR A 112 14.980 -7.720 -7.897 1.00 0.00 N ATOM 1760 CA TYR A 112 15.007 -8.500 -6.632 1.00 0.00 C ATOM 1761 C TYR A 112 15.351 -9.953 -6.953 1.00 0.00 C ATOM 1762 O TYR A 112 14.529 -10.700 -7.444 1.00 0.00 O ATOM 1763 CB TYR A 112 13.639 -8.435 -5.954 1.00 0.00 C ATOM 1764 CG TYR A 112 13.778 -8.872 -4.516 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.774 -8.308 -3.709 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.916 -9.841 -3.990 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.908 -8.712 -2.377 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.050 -10.245 -2.657 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.046 -9.681 -1.850 1.00 0.00 C ATOM 1770 OH TYR A 112 14.178 -10.080 -0.536 1.00 0.00 O ATOM 0 H TYR A 112 14.118 -7.791 -8.437 1.00 0.00 H new ATOM 0 HA TYR A 112 15.756 -8.082 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.244 -7.420 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.930 -9.078 -6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.439 -7.561 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.148 -10.276 -4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.676 -8.277 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.385 -10.992 -2.250 1.00 0.00 H new ATOM 0 HH TYR A 112 14.056 -9.307 0.054 1.00 0.00 H new ATOM 1780 N VAL A 113 16.561 -10.364 -6.685 1.00 0.00 N ATOM 1781 CA VAL A 113 16.946 -11.764 -6.982 1.00 0.00 C ATOM 1782 C VAL A 113 16.639 -12.623 -5.753 1.00 0.00 C ATOM 1783 O VAL A 113 15.686 -12.376 -5.051 1.00 0.00 O ATOM 1784 CB VAL A 113 18.440 -11.831 -7.328 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.709 -13.076 -8.174 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.846 -10.589 -8.136 1.00 0.00 C ATOM 0 H VAL A 113 17.295 -9.788 -6.274 1.00 0.00 H new ATOM 0 HA VAL A 113 16.382 -12.137 -7.837 1.00 0.00 H new ATOM 0 HB VAL A 113 19.017 -11.872 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.769 -13.126 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.425 -13.966 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.124 -13.025 -9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.907 -10.643 -8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.265 -10.549 -9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.654 -9.693 -7.546 1.00 0.00 H new ATOM 1796 N ASP A 114 17.447 -13.601 -5.465 1.00 0.00 N ATOM 1797 CA ASP A 114 17.185 -14.450 -4.265 1.00 0.00 C ATOM 1798 C ASP A 114 17.421 -13.579 -3.053 1.00 0.00 C ATOM 1799 O ASP A 114 18.519 -13.516 -2.534 1.00 0.00 O ATOM 1800 CB ASP A 114 18.147 -15.640 -4.247 1.00 0.00 C ATOM 1801 CG ASP A 114 17.438 -16.878 -4.799 1.00 0.00 C ATOM 1802 OD1 ASP A 114 16.285 -17.080 -4.456 1.00 0.00 O ATOM 1803 OD2 ASP A 114 18.062 -17.606 -5.555 1.00 0.00 O ATOM 0 H ASP A 114 18.276 -13.852 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 114 16.167 -14.839 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.030 -15.416 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.491 -15.828 -3.230 1.00 0.00 H new ATOM 1808 N GLY A 115 16.426 -12.841 -2.634 1.00 0.00 N ATOM 1809 CA GLY A 115 16.656 -11.910 -1.505 1.00 0.00 C ATOM 1810 C GLY A 115 17.921 -11.140 -1.868 1.00 0.00 C ATOM 1811 O GLY A 115 18.676 -10.705 -1.021 1.00 0.00 O ATOM 0 H GLY A 115 15.482 -12.846 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.810 -11.236 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.781 -12.452 -0.568 1.00 0.00 H new ATOM 1815 N LYS A 116 18.174 -11.025 -3.156 1.00 0.00 N ATOM 1816 CA LYS A 116 19.415 -10.344 -3.612 1.00 0.00 C ATOM 1817 C LYS A 116 19.093 -9.204 -4.577 1.00 0.00 C ATOM 1818 O LYS A 116 19.208 -9.354 -5.776 1.00 0.00 O ATOM 1819 CB LYS A 116 20.308 -11.357 -4.330 1.00 0.00 C ATOM 1820 CG LYS A 116 21.384 -11.863 -3.368 1.00 0.00 C ATOM 1821 CD LYS A 116 22.411 -10.756 -3.123 1.00 0.00 C ATOM 1822 CE LYS A 116 23.411 -11.216 -2.063 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.869 -12.598 -2.378 1.00 0.00 N ATOM 0 H LYS A 116 17.572 -11.375 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 116 19.922 -9.933 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.709 -12.192 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.773 -10.895 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 116 20.930 -12.167 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.874 -12.743 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 116 22.932 -10.516 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.909 -9.846 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 116 24.263 -10.537 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.948 -11.191 -1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.775 -12.781 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.160 -13.283 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.993 -12.697 -3.406 1.00 0.00 H new ATOM 1837 N TRP A 117 18.710 -8.059 -4.084 1.00 0.00 N ATOM 1838 CA TRP A 117 18.415 -6.939 -5.015 1.00 0.00 C ATOM 1839 C TRP A 117 19.603 -6.763 -5.965 1.00 0.00 C ATOM 1840 O TRP A 117 20.673 -7.293 -5.738 1.00 0.00 O ATOM 1841 CB TRP A 117 18.183 -5.652 -4.226 1.00 0.00 C ATOM 1842 CG TRP A 117 16.738 -5.562 -3.863 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.244 -5.715 -2.613 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.591 -5.309 -4.730 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.871 -5.576 -2.654 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.420 -5.321 -3.935 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.451 -5.071 -6.112 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.157 -5.106 -4.489 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.183 -4.854 -6.669 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.039 -4.869 -5.860 1.00 0.00 C ATOM 0 H TRP A 117 18.590 -7.853 -3.092 1.00 0.00 H new ATOM 0 HA TRP A 117 17.515 -7.162 -5.587 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.799 -5.645 -3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.477 -4.787 -4.821 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.829 -5.914 -1.727 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.264 -5.652 -1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.326 -5.056 -6.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.278 -5.123 -3.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.087 -4.674 -7.730 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.066 -4.697 -6.297 1.00 0.00 H new ATOM 1861 N VAL A 118 19.427 -6.034 -7.032 1.00 0.00 N ATOM 1862 CA VAL A 118 20.549 -5.839 -7.998 1.00 0.00 C ATOM 1863 C VAL A 118 20.398 -4.478 -8.676 1.00 0.00 C ATOM 1864 O VAL A 118 19.448 -3.759 -8.436 1.00 0.00 O ATOM 1865 CB VAL A 118 20.528 -6.941 -9.073 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.823 -7.746 -9.008 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.346 -7.884 -8.847 1.00 0.00 C ATOM 0 H VAL A 118 18.556 -5.564 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 118 21.494 -5.888 -7.457 1.00 0.00 H new ATOM 0 HB VAL A 118 20.430 -6.469 -10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.806 -8.525 -9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.672 -7.085 -9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.918 -8.203 -8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.345 -8.657 -9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.434 -8.348 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.415 -7.320 -8.900 1.00 0.00 H new ATOM 1877 N GLU A 119 21.321 -4.118 -9.523 1.00 0.00 N ATOM 1878 CA GLU A 119 21.224 -2.804 -10.216 1.00 0.00 C ATOM 1879 C GLU A 119 21.499 -2.994 -11.709 1.00 0.00 C ATOM 1880 O GLU A 119 22.476 -3.602 -12.097 1.00 0.00 O ATOM 1881 CB GLU A 119 22.251 -1.838 -9.624 1.00 0.00 C ATOM 1882 CG GLU A 119 21.774 -1.363 -8.250 1.00 0.00 C ATOM 1883 CD GLU A 119 22.985 -1.056 -7.367 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.590 -1.994 -6.878 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.285 0.115 -7.195 1.00 0.00 O ATOM 0 H GLU A 119 22.139 -4.677 -9.765 1.00 0.00 H new ATOM 0 HA GLU A 119 20.223 -2.394 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.219 -2.330 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.388 -0.985 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.153 -0.473 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.155 -2.129 -7.783 1.00 0.00 H new ATOM 1892 N GLY A 120 20.643 -2.478 -12.549 1.00 0.00 N ATOM 1893 CA GLY A 120 20.857 -2.632 -14.016 1.00 0.00 C ATOM 1894 C GLY A 120 20.737 -1.266 -14.696 1.00 0.00 C ATOM 1895 O GLY A 120 19.707 -0.625 -14.644 1.00 0.00 O ATOM 0 H GLY A 120 19.807 -1.958 -12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.841 -3.060 -14.208 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.123 -3.322 -14.431 1.00 0.00 H new