USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -45:sc= -0.813 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.0525 (180deg=-0.661) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 87:sc= 0.194 USER MOD Single : A 31 THR OG1 : rot -75:sc= -0.25 USER MOD Single : A 32 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.42) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -136:sc= -4.86 (180deg=-12!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 50 ASN : amide:sc= 0.718 K(o=0.72,f=-0.048) USER MOD Single : A 52 ASN : amide:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.092) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.596 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.058 -2.864 6.585 1.00 0.00 N ATOM 165 CA PRO A 14 -5.038 -1.446 6.217 1.00 0.00 C ATOM 166 C PRO A 14 -6.438 -0.883 6.000 1.00 0.00 C ATOM 167 O PRO A 14 -7.248 -1.470 5.282 1.00 0.00 O ATOM 168 CB PRO A 14 -4.245 -1.430 4.908 1.00 0.00 C ATOM 169 CG PRO A 14 -4.431 -2.793 4.336 1.00 0.00 C ATOM 170 CD PRO A 14 -4.531 -3.725 5.512 1.00 0.00 C ATOM 0 HA PRO A 14 -4.603 -0.828 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.616 -0.662 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.191 -1.216 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.331 -2.840 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.594 -3.064 3.693 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.197 -4.563 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.561 -4.146 5.775 1.00 0.00 H new ATOM 178 N SER A 15 -6.716 0.257 6.623 1.00 0.00 N ATOM 179 CA SER A 15 -8.021 0.897 6.499 1.00 0.00 C ATOM 180 C SER A 15 -8.070 1.799 5.269 1.00 0.00 C ATOM 181 O SER A 15 -7.040 2.278 4.796 1.00 0.00 O ATOM 182 CB SER A 15 -8.334 1.712 7.756 1.00 0.00 C ATOM 183 OG SER A 15 -9.718 2.004 7.843 1.00 0.00 O ATOM 0 H SER A 15 -6.056 0.757 7.219 1.00 0.00 H new ATOM 0 HA SER A 15 -8.772 0.115 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.020 1.158 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.763 2.641 7.743 1.00 0.00 H new ATOM 0 HG SER A 15 -9.892 2.524 8.655 1.00 0.00 H new ATOM 189 N GLY A 16 -9.275 2.025 4.756 1.00 0.00 N ATOM 190 CA GLY A 16 -9.438 2.868 3.586 1.00 0.00 C ATOM 191 C GLY A 16 -8.514 4.069 3.605 1.00 0.00 C ATOM 192 O GLY A 16 -7.986 4.471 2.568 1.00 0.00 O ATOM 0 H GLY A 16 -10.142 1.639 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.246 2.280 2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.472 3.209 3.529 1.00 0.00 H new ATOM 196 N PHE A 17 -8.319 4.646 4.786 1.00 0.00 N ATOM 197 CA PHE A 17 -7.455 5.811 4.935 1.00 0.00 C ATOM 198 C PHE A 17 -6.009 5.463 4.592 1.00 0.00 C ATOM 199 O PHE A 17 -5.302 6.250 3.962 1.00 0.00 O ATOM 200 CB PHE A 17 -7.536 6.353 6.363 1.00 0.00 C ATOM 201 CG PHE A 17 -6.303 7.094 6.794 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.691 8.001 5.944 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.755 6.882 8.049 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.556 8.685 6.338 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.620 7.563 8.448 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.019 8.465 7.591 1.00 0.00 C ATOM 0 H PHE A 17 -8.748 4.326 5.654 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.800 6.579 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.396 7.018 6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.710 5.524 7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.105 8.176 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.220 6.177 8.723 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.090 9.391 5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.203 7.390 9.429 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.131 8.997 7.900 1.00 0.00 H new ATOM 216 N PHE A 18 -5.577 4.279 5.012 1.00 0.00 N ATOM 217 CA PHE A 18 -4.215 3.827 4.752 1.00 0.00 C ATOM 218 C PHE A 18 -4.057 3.384 3.300 1.00 0.00 C ATOM 219 O PHE A 18 -3.164 3.849 2.591 1.00 0.00 O ATOM 220 CB PHE A 18 -3.850 2.675 5.690 1.00 0.00 C ATOM 221 CG PHE A 18 -2.420 2.230 5.565 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.050 1.311 4.596 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.448 2.729 6.416 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.735 0.900 4.477 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.132 2.322 6.302 1.00 0.00 C ATOM 226 CZ PHE A 18 0.224 1.405 5.332 1.00 0.00 C ATOM 0 H PHE A 18 -6.150 3.615 5.534 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.540 4.663 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.038 2.981 6.719 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.505 1.828 5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.797 0.911 3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.721 3.444 7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.459 0.185 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.617 2.720 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.251 1.084 5.243 1.00 0.00 H new ATOM 236 N LEU A 19 -4.931 2.483 2.864 1.00 0.00 N ATOM 237 CA LEU A 19 -4.890 1.976 1.497 1.00 0.00 C ATOM 238 C LEU A 19 -4.690 3.113 0.500 1.00 0.00 C ATOM 239 O LEU A 19 -3.956 2.973 -0.479 1.00 0.00 O ATOM 240 CB LEU A 19 -6.179 1.220 1.173 1.00 0.00 C ATOM 241 CG LEU A 19 -6.353 -0.135 1.861 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.826 -0.503 1.949 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.576 -1.213 1.120 1.00 0.00 C ATOM 0 H LEU A 19 -5.677 2.089 3.438 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.045 1.292 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.025 1.853 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.225 1.066 0.095 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.957 -0.061 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.931 -1.470 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.357 0.256 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.248 -0.559 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.711 -2.170 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.942 -1.287 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.517 -0.955 1.109 1.00 0.00 H new ATOM 255 N PHE A 20 -5.346 4.240 0.757 1.00 0.00 N ATOM 256 CA PHE A 20 -5.239 5.403 -0.117 1.00 0.00 C ATOM 257 C PHE A 20 -3.913 6.127 0.100 1.00 0.00 C ATOM 258 O PHE A 20 -3.308 6.631 -0.846 1.00 0.00 O ATOM 259 CB PHE A 20 -6.404 6.363 0.133 1.00 0.00 C ATOM 260 CG PHE A 20 -6.086 7.792 -0.205 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.488 8.622 0.729 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.386 8.304 -1.457 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.194 9.937 0.421 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.094 9.618 -1.771 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.498 10.436 -0.830 1.00 0.00 C ATOM 0 H PHE A 20 -5.957 4.373 1.563 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.278 5.056 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.263 6.041 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.696 6.302 1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.249 8.237 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.853 7.669 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.727 10.573 1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.331 10.005 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.270 11.463 -1.073 1.00 0.00 H new ATOM 275 N CYS A 21 -3.470 6.174 1.351 1.00 0.00 N ATOM 276 CA CYS A 21 -2.217 6.837 1.693 1.00 0.00 C ATOM 277 C CYS A 21 -1.029 6.106 1.077 1.00 0.00 C ATOM 278 O CYS A 21 -0.031 6.724 0.706 1.00 0.00 O ATOM 279 CB CYS A 21 -2.053 6.911 3.212 1.00 0.00 C ATOM 280 SG CYS A 21 -1.270 5.454 3.942 1.00 0.00 S ATOM 0 H CYS A 21 -3.959 5.761 2.145 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.248 7.849 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.460 7.791 3.460 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.034 7.049 3.666 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.793 4.379 3.432 1.00 0.00 H new ATOM 286 N SER A 22 -1.143 4.785 0.972 1.00 0.00 N ATOM 287 CA SER A 22 -0.075 3.969 0.406 1.00 0.00 C ATOM 288 C SER A 22 -0.081 4.048 -1.118 1.00 0.00 C ATOM 289 O SER A 22 0.955 3.887 -1.762 1.00 0.00 O ATOM 290 CB SER A 22 -0.226 2.513 0.853 1.00 0.00 C ATOM 291 OG SER A 22 0.967 1.784 0.625 1.00 0.00 O ATOM 0 H SER A 22 -1.963 4.258 1.271 1.00 0.00 H new ATOM 0 HA SER A 22 0.877 4.357 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.480 2.479 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.050 2.047 0.313 1.00 0.00 H new ATOM 0 HG SER A 22 0.846 0.857 0.920 1.00 0.00 H new ATOM 297 N GLU A 23 -1.257 4.297 -1.687 1.00 0.00 N ATOM 298 CA GLU A 23 -1.398 4.396 -3.135 1.00 0.00 C ATOM 299 C GLU A 23 -1.019 5.791 -3.624 1.00 0.00 C ATOM 300 O GLU A 23 -0.601 5.967 -4.768 1.00 0.00 O ATOM 301 CB GLU A 23 -2.833 4.070 -3.553 1.00 0.00 C ATOM 302 CG GLU A 23 -3.212 4.628 -4.915 1.00 0.00 C ATOM 303 CD GLU A 23 -4.489 4.018 -5.460 1.00 0.00 C ATOM 304 OE1 GLU A 23 -4.852 2.908 -5.018 1.00 0.00 O ATOM 305 OE2 GLU A 23 -5.126 4.651 -6.328 1.00 0.00 O ATOM 0 H GLU A 23 -2.124 4.434 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.721 3.673 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.962 2.988 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.519 4.465 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.333 5.709 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.398 4.446 -5.617 1.00 0.00 H new ATOM 312 N PHE A 24 -1.169 6.780 -2.749 1.00 0.00 N ATOM 313 CA PHE A 24 -0.844 8.159 -3.091 1.00 0.00 C ATOM 314 C PHE A 24 0.570 8.514 -2.637 1.00 0.00 C ATOM 315 O PHE A 24 1.125 9.535 -3.043 1.00 0.00 O ATOM 316 CB PHE A 24 -1.852 9.116 -2.451 1.00 0.00 C ATOM 317 CG PHE A 24 -3.066 9.363 -3.300 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.865 8.308 -3.711 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.409 10.649 -3.685 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.983 8.532 -4.493 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.526 10.879 -4.466 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.314 9.819 -4.870 1.00 0.00 C ATOM 0 H PHE A 24 -1.514 6.652 -1.798 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.895 8.260 -4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.167 8.710 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.360 10.067 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.612 7.300 -3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.797 11.481 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.597 7.701 -4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.782 11.886 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.188 9.996 -5.480 1.00 0.00 H new ATOM 332 N ARG A 25 1.145 7.663 -1.793 1.00 0.00 N ATOM 333 CA ARG A 25 2.492 7.886 -1.283 1.00 0.00 C ATOM 334 C ARG A 25 3.488 8.042 -2.428 1.00 0.00 C ATOM 335 O ARG A 25 4.335 8.936 -2.430 1.00 0.00 O ATOM 336 CB ARG A 25 2.916 6.728 -0.378 1.00 0.00 C ATOM 337 CG ARG A 25 3.847 7.146 0.749 1.00 0.00 C ATOM 338 CD ARG A 25 4.213 5.965 1.635 1.00 0.00 C ATOM 339 NE ARG A 25 3.056 5.448 2.362 1.00 0.00 N ATOM 340 CZ ARG A 25 3.077 4.326 3.073 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.189 3.608 3.152 1.00 0.00 N ATOM 342 NH2 ARG A 25 1.984 3.920 3.706 1.00 0.00 N ATOM 0 H ARG A 25 0.699 6.813 -1.448 1.00 0.00 H new ATOM 0 HA ARG A 25 2.485 8.808 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.026 6.267 0.050 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.410 5.967 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.754 7.583 0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.368 7.919 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.641 5.171 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.982 6.269 2.346 1.00 0.00 H new ATOM 0 HE ARG A 25 2.185 5.977 2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.031 3.917 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.202 2.747 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.127 4.469 3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.001 3.058 4.252 1.00 0.00 H new ATOM 356 N PRO A 26 3.387 7.151 -3.426 1.00 0.00 N ATOM 357 CA PRO A 26 4.271 7.168 -4.595 1.00 0.00 C ATOM 358 C PRO A 26 4.400 8.560 -5.204 1.00 0.00 C ATOM 359 O PRO A 26 5.506 9.037 -5.462 1.00 0.00 O ATOM 360 CB PRO A 26 3.580 6.218 -5.576 1.00 0.00 C ATOM 361 CG PRO A 26 2.792 5.292 -4.715 1.00 0.00 C ATOM 362 CD PRO A 26 2.401 6.059 -3.490 1.00 0.00 C ATOM 0 HA PRO A 26 5.289 6.874 -4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.935 6.762 -6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.307 5.675 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.909 4.932 -5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.383 4.416 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.384 6.443 -3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.439 5.434 -2.598 1.00 0.00 H new ATOM 370 N LYS A 27 3.263 9.209 -5.432 1.00 0.00 N ATOM 371 CA LYS A 27 3.248 10.548 -6.009 1.00 0.00 C ATOM 372 C LYS A 27 4.005 11.531 -5.121 1.00 0.00 C ATOM 373 O LYS A 27 4.910 12.227 -5.582 1.00 0.00 O ATOM 374 CB LYS A 27 1.807 11.026 -6.204 1.00 0.00 C ATOM 375 CG LYS A 27 0.962 10.082 -7.041 1.00 0.00 C ATOM 376 CD LYS A 27 -0.511 10.182 -6.679 1.00 0.00 C ATOM 377 CE LYS A 27 -1.345 9.172 -7.452 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.289 7.818 -6.834 1.00 0.00 N ATOM 0 H LYS A 27 2.339 8.829 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 27 3.744 10.504 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.339 11.150 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.819 12.007 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.094 10.314 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.305 9.058 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.636 10.016 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.871 11.189 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.380 9.511 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.988 9.117 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.230 7.097 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.451 7.750 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.146 7.659 -6.267 1.00 0.00 H new ATOM 392 N ILE A 28 3.629 11.582 -3.848 1.00 0.00 N ATOM 393 CA ILE A 28 4.274 12.479 -2.897 1.00 0.00 C ATOM 394 C ILE A 28 5.788 12.300 -2.914 1.00 0.00 C ATOM 395 O ILE A 28 6.540 13.274 -2.887 1.00 0.00 O ATOM 396 CB ILE A 28 3.757 12.247 -1.465 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.233 12.377 -1.422 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.405 13.230 -0.502 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.632 12.003 -0.085 1.00 0.00 C ATOM 0 H ILE A 28 2.881 11.013 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 28 4.027 13.495 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 28 4.025 11.236 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.957 13.404 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.800 11.743 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.029 13.053 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.486 13.093 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.164 14.249 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.549 12.119 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.877 10.967 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.036 12.654 0.690 1.00 0.00 H new ATOM 411 N LYS A 29 6.230 11.048 -2.960 1.00 0.00 N ATOM 412 CA LYS A 29 7.655 10.739 -2.983 1.00 0.00 C ATOM 413 C LYS A 29 8.262 11.077 -4.341 1.00 0.00 C ATOM 414 O LYS A 29 9.478 11.222 -4.469 1.00 0.00 O ATOM 415 CB LYS A 29 7.883 9.259 -2.665 1.00 0.00 C ATOM 416 CG LYS A 29 7.542 8.886 -1.233 1.00 0.00 C ATOM 417 CD LYS A 29 8.244 7.607 -0.808 1.00 0.00 C ATOM 418 CE LYS A 29 9.625 7.892 -0.237 1.00 0.00 C ATOM 419 NZ LYS A 29 10.376 6.638 0.050 1.00 0.00 N ATOM 0 H LYS A 29 5.621 10.230 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 29 8.146 11.347 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.281 8.653 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.927 9.011 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.829 9.699 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.464 8.760 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.640 7.090 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.334 6.938 -1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.191 8.501 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.526 8.474 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.312 6.875 0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.849 6.068 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.493 6.094 -0.829 1.00 0.00 H new ATOM 433 N SER A 30 7.408 11.203 -5.352 1.00 0.00 N ATOM 434 CA SER A 30 7.862 11.522 -6.700 1.00 0.00 C ATOM 435 C SER A 30 7.737 13.017 -6.976 1.00 0.00 C ATOM 436 O SER A 30 8.357 13.545 -7.900 1.00 0.00 O ATOM 437 CB SER A 30 7.054 10.733 -7.733 1.00 0.00 C ATOM 438 OG SER A 30 7.441 9.369 -7.748 1.00 0.00 O ATOM 0 H SER A 30 6.398 11.089 -5.263 1.00 0.00 H new ATOM 0 HA SER A 30 8.912 11.242 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.991 10.810 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.200 11.167 -8.722 1.00 0.00 H new ATOM 0 HG SER A 30 6.933 8.877 -7.070 1.00 0.00 H new ATOM 444 N THR A 31 6.929 13.696 -6.167 1.00 0.00 N ATOM 445 CA THR A 31 6.720 15.130 -6.323 1.00 0.00 C ATOM 446 C THR A 31 7.680 15.924 -5.445 1.00 0.00 C ATOM 447 O THR A 31 8.268 16.911 -5.886 1.00 0.00 O ATOM 448 CB THR A 31 5.274 15.529 -5.973 1.00 0.00 C ATOM 449 OG1 THR A 31 4.730 14.611 -5.019 1.00 0.00 O ATOM 450 CG2 THR A 31 4.402 15.549 -7.220 1.00 0.00 C ATOM 0 H THR A 31 6.409 13.275 -5.397 1.00 0.00 H new ATOM 0 HA THR A 31 6.910 15.365 -7.370 1.00 0.00 H new ATOM 0 HB THR A 31 5.290 16.531 -5.544 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.514 13.766 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.385 15.833 -6.949 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.803 16.270 -7.933 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.393 14.558 -7.673 1.00 0.00 H new ATOM 458 N ASN A 32 7.836 15.486 -4.200 1.00 0.00 N ATOM 459 CA ASN A 32 8.726 16.157 -3.259 1.00 0.00 C ATOM 460 C ASN A 32 10.112 15.518 -3.271 1.00 0.00 C ATOM 461 O ASN A 32 10.260 14.297 -3.204 1.00 0.00 O ATOM 462 CB ASN A 32 8.141 16.106 -1.846 1.00 0.00 C ATOM 463 CG ASN A 32 6.814 16.833 -1.744 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.770 18.038 -1.499 1.00 0.00 O ATOM 465 ND2 ASN A 32 5.722 16.099 -1.932 1.00 0.00 N ATOM 0 H ASN A 32 7.358 14.669 -3.819 1.00 0.00 H new ATOM 0 HA ASN A 32 8.822 17.198 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.006 15.066 -1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.850 16.549 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.800 16.532 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.806 15.103 -2.133 1.00 0.00 H new ATOM 472 N PRO A 33 11.151 16.361 -3.357 1.00 0.00 N ATOM 473 CA PRO A 33 12.543 15.901 -3.379 1.00 0.00 C ATOM 474 C PRO A 33 12.987 15.335 -2.034 1.00 0.00 C ATOM 475 O PRO A 33 13.029 16.048 -1.033 1.00 0.00 O ATOM 476 CB PRO A 33 13.331 17.171 -3.711 1.00 0.00 C ATOM 477 CG PRO A 33 12.466 18.288 -3.239 1.00 0.00 C ATOM 478 CD PRO A 33 11.048 17.827 -3.440 1.00 0.00 C ATOM 0 HA PRO A 33 12.694 15.091 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.298 17.180 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.527 17.247 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.658 18.514 -2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.664 19.200 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.383 18.227 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.654 18.148 -4.404 1.00 0.00 H new ATOM 486 N GLY A 34 13.319 14.048 -2.020 1.00 0.00 N ATOM 487 CA GLY A 34 13.757 13.408 -0.792 1.00 0.00 C ATOM 488 C GLY A 34 12.905 13.797 0.400 1.00 0.00 C ATOM 489 O GLY A 34 13.420 14.285 1.406 1.00 0.00 O ATOM 0 H GLY A 34 13.293 13.437 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.726 12.326 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.795 13.677 -0.596 1.00 0.00 H new ATOM 493 N ILE A 35 11.599 13.584 0.286 1.00 0.00 N ATOM 494 CA ILE A 35 10.674 13.917 1.363 1.00 0.00 C ATOM 495 C ILE A 35 10.766 12.903 2.499 1.00 0.00 C ATOM 496 O ILE A 35 10.798 11.695 2.266 1.00 0.00 O ATOM 497 CB ILE A 35 9.220 13.975 0.859 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.305 14.553 1.940 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.748 12.590 0.442 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.934 14.938 1.430 1.00 0.00 C ATOM 0 H ILE A 35 11.157 13.182 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 35 10.961 14.901 1.733 1.00 0.00 H new ATOM 0 HB ILE A 35 9.179 14.629 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.194 13.821 2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.781 15.431 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.719 12.648 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.386 12.214 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.801 11.915 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.340 15.340 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.035 15.694 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.438 14.058 1.020 1.00 0.00 H new ATOM 512 N SER A 36 10.807 13.404 3.729 1.00 0.00 N ATOM 513 CA SER A 36 10.897 12.543 4.903 1.00 0.00 C ATOM 514 C SER A 36 9.539 11.933 5.234 1.00 0.00 C ATOM 515 O SER A 36 8.498 12.555 5.020 1.00 0.00 O ATOM 516 CB SER A 36 11.420 13.334 6.103 1.00 0.00 C ATOM 517 OG SER A 36 12.052 12.480 7.041 1.00 0.00 O ATOM 0 H SER A 36 10.779 14.402 3.939 1.00 0.00 H new ATOM 0 HA SER A 36 11.594 11.735 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.126 14.092 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.595 13.860 6.583 1.00 0.00 H new ATOM 0 HG SER A 36 12.379 13.010 7.798 1.00 0.00 H new ATOM 523 N ILE A 37 9.558 10.711 5.757 1.00 0.00 N ATOM 524 CA ILE A 37 8.329 10.016 6.119 1.00 0.00 C ATOM 525 C ILE A 37 7.383 10.936 6.884 1.00 0.00 C ATOM 526 O ILE A 37 6.191 11.004 6.587 1.00 0.00 O ATOM 527 CB ILE A 37 8.619 8.769 6.975 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.456 7.763 6.182 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.318 8.133 7.441 1.00 0.00 C ATOM 530 CD1 ILE A 37 10.059 6.672 7.039 1.00 0.00 C ATOM 0 H ILE A 37 10.411 10.182 5.939 1.00 0.00 H new ATOM 0 HA ILE A 37 7.856 9.705 5.188 1.00 0.00 H new ATOM 0 HB ILE A 37 9.187 9.073 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.831 7.307 5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.257 8.294 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.539 7.253 8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.756 8.851 8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.726 7.839 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.639 5.995 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.711 7.118 7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.263 6.116 7.533 1.00 0.00 H new ATOM 542 N GLY A 38 7.924 11.643 7.872 1.00 0.00 N ATOM 543 CA GLY A 38 7.114 12.551 8.664 1.00 0.00 C ATOM 544 C GLY A 38 6.331 13.526 7.808 1.00 0.00 C ATOM 545 O GLY A 38 5.155 13.783 8.065 1.00 0.00 O ATOM 0 H GLY A 38 8.908 11.603 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.422 11.974 9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.758 13.107 9.346 1.00 0.00 H new ATOM 549 N ASP A 39 6.984 14.072 6.788 1.00 0.00 N ATOM 550 CA ASP A 39 6.341 15.026 5.891 1.00 0.00 C ATOM 551 C ASP A 39 5.179 14.374 5.147 1.00 0.00 C ATOM 552 O ASP A 39 4.053 14.869 5.179 1.00 0.00 O ATOM 553 CB ASP A 39 7.356 15.581 4.890 1.00 0.00 C ATOM 554 CG ASP A 39 8.297 16.590 5.520 1.00 0.00 C ATOM 555 OD1 ASP A 39 9.126 16.184 6.361 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.205 17.785 5.170 1.00 0.00 O ATOM 0 H ASP A 39 7.958 13.871 6.562 1.00 0.00 H new ATOM 0 HA ASP A 39 5.950 15.846 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.937 14.759 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.826 16.051 4.062 1.00 0.00 H new ATOM 561 N VAL A 40 5.462 13.261 4.477 1.00 0.00 N ATOM 562 CA VAL A 40 4.441 12.542 3.725 1.00 0.00 C ATOM 563 C VAL A 40 3.261 12.171 4.617 1.00 0.00 C ATOM 564 O VAL A 40 2.110 12.190 4.181 1.00 0.00 O ATOM 565 CB VAL A 40 5.011 11.261 3.088 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.932 10.527 2.307 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.196 11.593 2.193 1.00 0.00 C ATOM 0 H VAL A 40 6.390 12.838 4.440 1.00 0.00 H new ATOM 0 HA VAL A 40 4.100 13.211 2.935 1.00 0.00 H new ATOM 0 HB VAL A 40 5.359 10.604 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.354 9.625 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.118 10.255 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.550 11.174 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.586 10.676 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.875 12.270 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.976 12.071 2.785 1.00 0.00 H new ATOM 577 N ALA A 41 3.555 11.834 5.868 1.00 0.00 N ATOM 578 CA ALA A 41 2.518 11.461 6.823 1.00 0.00 C ATOM 579 C ALA A 41 1.579 12.630 7.098 1.00 0.00 C ATOM 580 O ALA A 41 0.373 12.446 7.265 1.00 0.00 O ATOM 581 CB ALA A 41 3.146 10.970 8.119 1.00 0.00 C ATOM 0 H ALA A 41 4.503 11.811 6.244 1.00 0.00 H new ATOM 0 HA ALA A 41 1.931 10.652 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.360 10.695 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.770 10.100 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.758 11.762 8.550 1.00 0.00 H new ATOM 587 N LYS A 42 2.138 13.835 7.143 1.00 0.00 N ATOM 588 CA LYS A 42 1.351 15.035 7.397 1.00 0.00 C ATOM 589 C LYS A 42 0.426 15.338 6.223 1.00 0.00 C ATOM 590 O LYS A 42 -0.736 15.701 6.412 1.00 0.00 O ATOM 591 CB LYS A 42 2.273 16.230 7.655 1.00 0.00 C ATOM 592 CG LYS A 42 1.583 17.393 8.346 1.00 0.00 C ATOM 593 CD LYS A 42 2.383 18.677 8.208 1.00 0.00 C ATOM 594 CE LYS A 42 2.237 19.279 6.819 1.00 0.00 C ATOM 595 NZ LYS A 42 0.963 20.038 6.674 1.00 0.00 N ATOM 0 H LYS A 42 3.134 14.006 7.007 1.00 0.00 H new ATOM 0 HA LYS A 42 0.740 14.857 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.115 15.903 8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.682 16.574 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.590 17.534 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.446 17.160 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.048 19.397 8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.435 18.475 8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.079 19.942 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.273 18.485 6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.901 20.432 5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.158 19.400 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.939 20.812 7.368 1.00 0.00 H new ATOM 609 N LYS A 43 0.946 15.184 5.010 1.00 0.00 N ATOM 610 CA LYS A 43 0.167 15.438 3.805 1.00 0.00 C ATOM 611 C LYS A 43 -0.985 14.445 3.682 1.00 0.00 C ATOM 612 O LYS A 43 -2.148 14.837 3.580 1.00 0.00 O ATOM 613 CB LYS A 43 1.062 15.352 2.566 1.00 0.00 C ATOM 614 CG LYS A 43 1.740 16.665 2.214 1.00 0.00 C ATOM 615 CD LYS A 43 2.594 16.533 0.964 1.00 0.00 C ATOM 616 CE LYS A 43 3.771 17.496 0.990 1.00 0.00 C ATOM 617 NZ LYS A 43 3.404 18.835 0.450 1.00 0.00 N ATOM 0 H LYS A 43 1.905 14.884 4.836 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.248 16.443 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.825 14.591 2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.463 15.023 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.985 17.436 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.362 16.990 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.961 15.510 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.983 16.727 0.082 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.130 17.603 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.592 17.081 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.233 19.462 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.085 18.737 -0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.637 19.242 1.023 1.00 0.00 H new ATOM 631 N LEU A 44 -0.654 13.158 3.695 1.00 0.00 N ATOM 632 CA LEU A 44 -1.662 12.109 3.587 1.00 0.00 C ATOM 633 C LEU A 44 -2.883 12.436 4.440 1.00 0.00 C ATOM 634 O LEU A 44 -3.989 12.593 3.924 1.00 0.00 O ATOM 635 CB LEU A 44 -1.073 10.764 4.015 1.00 0.00 C ATOM 636 CG LEU A 44 0.028 10.197 3.118 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.749 9.053 3.814 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.552 9.734 1.789 1.00 0.00 C ATOM 0 H LEU A 44 0.303 12.816 3.779 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.976 12.047 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.674 10.870 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.882 10.036 4.067 1.00 0.00 H new ATOM 0 HG LEU A 44 0.751 10.988 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.529 8.663 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.199 9.415 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.037 8.260 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.246 9.334 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.297 8.959 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.021 10.578 1.283 1.00 0.00 H new ATOM 650 N GLY A 45 -2.674 12.541 5.749 1.00 0.00 N ATOM 651 CA GLY A 45 -3.766 12.851 6.652 1.00 0.00 C ATOM 652 C GLY A 45 -4.716 13.885 6.080 1.00 0.00 C ATOM 653 O GLY A 45 -5.934 13.737 6.175 1.00 0.00 O ATOM 0 H GLY A 45 -1.767 12.417 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.319 11.939 6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.361 13.217 7.595 1.00 0.00 H new ATOM 657 N GLU A 46 -4.158 14.935 5.485 1.00 0.00 N ATOM 658 CA GLU A 46 -4.964 15.998 4.898 1.00 0.00 C ATOM 659 C GLU A 46 -5.730 15.490 3.680 1.00 0.00 C ATOM 660 O GLU A 46 -6.950 15.627 3.599 1.00 0.00 O ATOM 661 CB GLU A 46 -4.079 17.180 4.501 1.00 0.00 C ATOM 662 CG GLU A 46 -3.878 18.192 5.616 1.00 0.00 C ATOM 663 CD GLU A 46 -4.957 19.257 5.638 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.489 19.584 4.557 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.269 19.764 6.736 1.00 0.00 O ATOM 0 H GLU A 46 -3.151 15.072 5.397 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.684 16.329 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.106 16.804 4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.523 17.682 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.865 17.673 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.905 18.668 5.498 1.00 0.00 H new ATOM 672 N MET A 47 -5.004 14.903 2.734 1.00 0.00 N ATOM 673 CA MET A 47 -5.614 14.374 1.520 1.00 0.00 C ATOM 674 C MET A 47 -6.830 13.515 1.853 1.00 0.00 C ATOM 675 O MET A 47 -7.865 13.607 1.193 1.00 0.00 O ATOM 676 CB MET A 47 -4.596 13.551 0.728 1.00 0.00 C ATOM 677 CG MET A 47 -3.286 14.282 0.480 1.00 0.00 C ATOM 678 SD MET A 47 -2.377 13.618 -0.929 1.00 0.00 S ATOM 679 CE MET A 47 -2.442 11.863 -0.577 1.00 0.00 C ATOM 0 H MET A 47 -3.993 14.782 2.785 1.00 0.00 H new ATOM 0 HA MET A 47 -5.941 15.217 0.911 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.390 12.626 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.034 13.271 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.491 15.339 0.310 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.664 14.217 1.372 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.462 11.420 -0.753 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.728 11.711 0.464 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.176 11.388 -1.228 1.00 0.00 H new ATOM 689 N TRP A 48 -6.697 12.681 2.878 1.00 0.00 N ATOM 690 CA TRP A 48 -7.786 11.806 3.297 1.00 0.00 C ATOM 691 C TRP A 48 -9.012 12.617 3.702 1.00 0.00 C ATOM 692 O TRP A 48 -10.061 12.534 3.065 1.00 0.00 O ATOM 693 CB TRP A 48 -7.337 10.922 4.462 1.00 0.00 C ATOM 694 CG TRP A 48 -8.416 10.013 4.968 1.00 0.00 C ATOM 695 CD1 TRP A 48 -9.042 10.080 6.180 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.995 8.901 4.277 1.00 0.00 C ATOM 697 NE1 TRP A 48 -9.974 9.077 6.284 1.00 0.00 N ATOM 698 CE2 TRP A 48 -9.966 8.340 5.129 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.789 8.326 3.020 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.726 7.232 4.764 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.544 7.226 2.659 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.503 6.689 3.528 1.00 0.00 C ATOM 0 H TRP A 48 -5.847 12.592 3.434 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.056 11.173 2.452 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.485 10.321 4.145 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.994 11.557 5.279 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.834 10.814 6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.575 8.908 7.091 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.053 8.734 2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.465 6.816 5.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.392 6.773 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.078 5.829 3.216 1.00 0.00 H new ATOM 713 N ASN A 49 -8.871 13.403 4.765 1.00 0.00 N ATOM 714 CA ASN A 49 -9.969 14.229 5.255 1.00 0.00 C ATOM 715 C ASN A 49 -10.644 14.973 4.107 1.00 0.00 C ATOM 716 O ASN A 49 -11.858 15.172 4.112 1.00 0.00 O ATOM 717 CB ASN A 49 -9.457 15.229 6.294 1.00 0.00 C ATOM 718 CG ASN A 49 -10.514 15.586 7.322 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.553 16.156 6.988 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.252 15.251 8.580 1.00 0.00 N ATOM 0 H ASN A 49 -8.008 13.485 5.303 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.704 13.573 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.588 14.809 6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.124 16.136 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.925 15.465 9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.377 14.779 8.811 1.00 0.00 H new ATOM 727 N ASN A 50 -9.848 15.380 3.124 1.00 0.00 N ATOM 728 CA ASN A 50 -10.368 16.102 1.968 1.00 0.00 C ATOM 729 C ASN A 50 -11.331 15.229 1.170 1.00 0.00 C ATOM 730 O ASN A 50 -12.397 15.682 0.752 1.00 0.00 O ATOM 731 CB ASN A 50 -9.219 16.566 1.071 1.00 0.00 C ATOM 732 CG ASN A 50 -8.667 17.915 1.490 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.245 18.958 1.182 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.543 17.900 2.196 1.00 0.00 N ATOM 0 H ASN A 50 -8.840 15.222 3.104 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.912 16.974 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.420 15.825 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.567 16.623 0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.124 18.777 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.098 17.012 2.428 1.00 0.00 H new ATOM 741 N LEU A 51 -10.948 13.974 0.961 1.00 0.00 N ATOM 742 CA LEU A 51 -11.778 13.035 0.213 1.00 0.00 C ATOM 743 C LEU A 51 -13.222 13.076 0.701 1.00 0.00 C ATOM 744 O LEU A 51 -13.486 13.376 1.865 1.00 0.00 O ATOM 745 CB LEU A 51 -11.222 11.616 0.346 1.00 0.00 C ATOM 746 CG LEU A 51 -9.946 11.318 -0.442 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.323 10.012 0.025 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.240 11.268 -1.934 1.00 0.00 C ATOM 0 H LEU A 51 -10.069 13.583 1.299 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.761 13.329 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.028 11.421 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.993 10.914 0.029 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.233 12.122 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.416 9.816 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.075 10.085 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.030 9.197 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.320 11.055 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.971 10.485 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.640 12.229 -2.258 1.00 0.00 H new ATOM 760 N ASN A 52 -14.153 12.769 -0.196 1.00 0.00 N ATOM 761 CA ASN A 52 -15.572 12.769 0.144 1.00 0.00 C ATOM 762 C ASN A 52 -16.057 11.357 0.455 1.00 0.00 C ATOM 763 O ASN A 52 -15.435 10.373 0.052 1.00 0.00 O ATOM 764 CB ASN A 52 -16.392 13.361 -1.004 1.00 0.00 C ATOM 765 CG ASN A 52 -15.778 14.631 -1.559 1.00 0.00 C ATOM 766 OD1 ASN A 52 -15.648 15.632 -0.853 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.396 14.597 -2.830 1.00 0.00 N ATOM 0 H ASN A 52 -13.951 12.517 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.707 13.384 1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.479 12.624 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.402 13.572 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.976 15.422 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.523 13.746 -3.378 1.00 0.00 H new ATOM 774 N ASP A 53 -17.170 11.264 1.174 1.00 0.00 N ATOM 775 CA ASP A 53 -17.740 9.972 1.538 1.00 0.00 C ATOM 776 C ASP A 53 -17.882 9.076 0.311 1.00 0.00 C ATOM 777 O ASP A 53 -17.732 7.858 0.400 1.00 0.00 O ATOM 778 CB ASP A 53 -19.102 10.162 2.207 1.00 0.00 C ATOM 779 CG ASP A 53 -19.054 11.166 3.342 1.00 0.00 C ATOM 780 OD1 ASP A 53 -19.111 12.382 3.061 1.00 0.00 O ATOM 781 OD2 ASP A 53 -18.962 10.736 4.511 1.00 0.00 O ATOM 0 H ASP A 53 -17.696 12.068 1.516 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.063 9.489 2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.826 10.494 1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.453 9.203 2.588 1.00 0.00 H new ATOM 786 N SER A 54 -18.174 9.688 -0.832 1.00 0.00 N ATOM 787 CA SER A 54 -18.342 8.945 -2.075 1.00 0.00 C ATOM 788 C SER A 54 -16.990 8.538 -2.652 1.00 0.00 C ATOM 789 O SER A 54 -16.898 7.600 -3.443 1.00 0.00 O ATOM 790 CB SER A 54 -19.112 9.786 -3.096 1.00 0.00 C ATOM 791 OG SER A 54 -18.276 10.768 -3.682 1.00 0.00 O ATOM 0 H SER A 54 -18.299 10.696 -0.923 1.00 0.00 H new ATOM 0 HA SER A 54 -18.911 8.041 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.518 9.138 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.959 10.269 -2.609 1.00 0.00 H new ATOM 0 HG SER A 54 -18.791 11.291 -4.332 1.00 0.00 H new ATOM 797 N GLU A 55 -15.943 9.252 -2.249 1.00 0.00 N ATOM 798 CA GLU A 55 -14.595 8.965 -2.726 1.00 0.00 C ATOM 799 C GLU A 55 -13.959 7.839 -1.916 1.00 0.00 C ATOM 800 O GLU A 55 -13.197 7.030 -2.447 1.00 0.00 O ATOM 801 CB GLU A 55 -13.724 10.221 -2.645 1.00 0.00 C ATOM 802 CG GLU A 55 -14.085 11.279 -3.674 1.00 0.00 C ATOM 803 CD GLU A 55 -13.730 10.863 -5.088 1.00 0.00 C ATOM 804 OE1 GLU A 55 -14.305 9.867 -5.575 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.878 11.533 -5.708 1.00 0.00 O ATOM 0 H GLU A 55 -16.002 10.032 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.665 8.646 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.813 10.651 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.680 9.938 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.154 11.485 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.568 12.207 -3.432 1.00 0.00 H new ATOM 812 N LYS A 56 -14.277 7.793 -0.627 1.00 0.00 N ATOM 813 CA LYS A 56 -13.739 6.767 0.258 1.00 0.00 C ATOM 814 C LYS A 56 -14.527 5.467 0.127 1.00 0.00 C ATOM 815 O LYS A 56 -14.038 4.396 0.485 1.00 0.00 O ATOM 816 CB LYS A 56 -13.769 7.249 1.710 1.00 0.00 C ATOM 817 CG LYS A 56 -12.970 8.520 1.945 1.00 0.00 C ATOM 818 CD LYS A 56 -13.134 9.026 3.369 1.00 0.00 C ATOM 819 CE LYS A 56 -12.414 10.350 3.576 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.871 11.042 4.813 1.00 0.00 N ATOM 0 H LYS A 56 -14.905 8.455 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.706 6.577 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.804 7.420 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.380 6.461 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.916 8.330 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.294 9.290 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.194 9.148 3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.744 8.285 4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.340 10.174 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.585 10.995 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.357 11.940 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.891 11.233 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.684 10.437 5.638 1.00 0.00 H new ATOM 834 N GLN A 57 -15.747 5.570 -0.389 1.00 0.00 N ATOM 835 CA GLN A 57 -16.601 4.402 -0.568 1.00 0.00 C ATOM 836 C GLN A 57 -15.811 3.233 -1.148 1.00 0.00 C ATOM 837 O GLN A 57 -15.730 2.155 -0.560 1.00 0.00 O ATOM 838 CB GLN A 57 -17.779 4.741 -1.483 1.00 0.00 C ATOM 839 CG GLN A 57 -19.025 5.184 -0.732 1.00 0.00 C ATOM 840 CD GLN A 57 -19.683 4.049 0.028 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.432 3.256 -0.543 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.406 3.965 1.324 1.00 0.00 N ATOM 0 H GLN A 57 -16.166 6.450 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.982 4.109 0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.479 5.532 -2.170 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.021 3.868 -2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.761 5.978 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.740 5.605 -1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.780 4.644 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.820 3.222 1.887 1.00 0.00 H new ATOM 851 N PRO A 58 -15.215 3.450 -2.330 1.00 0.00 N ATOM 852 CA PRO A 58 -14.421 2.427 -3.016 1.00 0.00 C ATOM 853 C PRO A 58 -13.108 2.133 -2.297 1.00 0.00 C ATOM 854 O PRO A 58 -12.399 1.187 -2.640 1.00 0.00 O ATOM 855 CB PRO A 58 -14.151 3.047 -4.389 1.00 0.00 C ATOM 856 CG PRO A 58 -14.237 4.517 -4.163 1.00 0.00 C ATOM 857 CD PRO A 58 -15.270 4.712 -3.088 1.00 0.00 C ATOM 0 HA PRO A 58 -14.941 1.470 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.169 2.761 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.884 2.716 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.273 4.921 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.523 5.036 -5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -15.037 5.570 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.260 4.885 -3.509 1.00 0.00 H new ATOM 865 N TYR A 59 -12.791 2.950 -1.298 1.00 0.00 N ATOM 866 CA TYR A 59 -11.563 2.779 -0.532 1.00 0.00 C ATOM 867 C TYR A 59 -11.820 1.974 0.739 1.00 0.00 C ATOM 868 O TYR A 59 -10.926 1.303 1.254 1.00 0.00 O ATOM 869 CB TYR A 59 -10.966 4.141 -0.173 1.00 0.00 C ATOM 870 CG TYR A 59 -10.116 4.737 -1.272 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.996 4.069 -1.751 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.433 5.969 -1.832 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.216 4.611 -2.755 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.660 6.518 -2.837 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.552 5.835 -3.294 1.00 0.00 C ATOM 876 OH TYR A 59 -7.778 6.377 -4.294 1.00 0.00 O ATOM 0 H TYR A 59 -13.368 3.737 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.854 2.230 -1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.775 4.832 0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.361 4.037 0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.730 3.110 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.299 6.507 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.348 4.079 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.922 7.476 -3.262 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.151 7.242 -4.564 1.00 0.00 H new ATOM 886 N ILE A 60 -13.050 2.046 1.238 1.00 0.00 N ATOM 887 CA ILE A 60 -13.427 1.324 2.446 1.00 0.00 C ATOM 888 C ILE A 60 -13.834 -0.110 2.125 1.00 0.00 C ATOM 889 O ILE A 60 -13.472 -1.046 2.839 1.00 0.00 O ATOM 890 CB ILE A 60 -14.586 2.022 3.181 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.191 3.452 3.558 1.00 0.00 C ATOM 892 CG2 ILE A 60 -14.981 1.232 4.420 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.350 4.287 4.056 1.00 0.00 C ATOM 0 H ILE A 60 -13.802 2.597 0.824 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.550 1.314 3.094 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.446 2.066 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.421 3.417 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.749 3.940 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.801 1.739 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.298 0.231 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.127 1.160 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.997 5.288 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.111 4.353 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.778 3.822 4.944 1.00 0.00 H new ATOM 905 N THR A 61 -14.590 -0.277 1.044 1.00 0.00 N ATOM 906 CA THR A 61 -15.046 -1.597 0.626 1.00 0.00 C ATOM 907 C THR A 61 -13.880 -2.572 0.517 1.00 0.00 C ATOM 908 O THR A 61 -14.016 -3.756 0.827 1.00 0.00 O ATOM 909 CB THR A 61 -15.779 -1.535 -0.727 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.838 -0.573 -0.668 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.345 -2.898 -1.098 1.00 0.00 C ATOM 0 H THR A 61 -14.899 0.486 0.442 1.00 0.00 H new ATOM 0 HA THR A 61 -15.739 -1.949 1.390 1.00 0.00 H new ATOM 0 HB THR A 61 -15.061 -1.237 -1.491 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.464 0.330 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.858 -2.830 -2.057 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.533 -3.621 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.050 -3.220 -0.331 1.00 0.00 H new ATOM 919 N LYS A 62 -12.733 -2.069 0.074 1.00 0.00 N ATOM 920 CA LYS A 62 -11.542 -2.896 -0.076 1.00 0.00 C ATOM 921 C LYS A 62 -11.026 -3.358 1.284 1.00 0.00 C ATOM 922 O LYS A 62 -10.736 -4.538 1.480 1.00 0.00 O ATOM 923 CB LYS A 62 -10.446 -2.120 -0.811 1.00 0.00 C ATOM 924 CG LYS A 62 -9.157 -2.903 -0.983 1.00 0.00 C ATOM 925 CD LYS A 62 -8.128 -2.117 -1.779 1.00 0.00 C ATOM 926 CE LYS A 62 -6.932 -2.980 -2.149 1.00 0.00 C ATOM 927 NZ LYS A 62 -5.846 -2.180 -2.781 1.00 0.00 N ATOM 0 H LYS A 62 -12.603 -1.092 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.812 -3.775 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.817 -1.827 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.233 -1.202 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.748 -3.152 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.367 -3.845 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.590 -1.725 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.793 -1.259 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.548 -3.471 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.249 -3.767 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.049 -2.804 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.205 -1.731 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.525 -1.445 -2.118 1.00 0.00 H new ATOM 941 N ALA A 63 -10.916 -2.421 2.220 1.00 0.00 N ATOM 942 CA ALA A 63 -10.439 -2.733 3.561 1.00 0.00 C ATOM 943 C ALA A 63 -11.272 -3.842 4.195 1.00 0.00 C ATOM 944 O ALA A 63 -10.756 -4.663 4.953 1.00 0.00 O ATOM 945 CB ALA A 63 -10.465 -1.487 4.434 1.00 0.00 C ATOM 0 H ALA A 63 -11.151 -1.439 2.074 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.411 -3.086 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.106 -1.735 5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.822 -0.723 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.485 -1.109 4.499 1.00 0.00 H new ATOM 951 N ALA A 64 -12.563 -3.861 3.880 1.00 0.00 N ATOM 952 CA ALA A 64 -13.466 -4.870 4.418 1.00 0.00 C ATOM 953 C ALA A 64 -12.972 -6.277 4.096 1.00 0.00 C ATOM 954 O ALA A 64 -12.888 -7.133 4.976 1.00 0.00 O ATOM 955 CB ALA A 64 -14.872 -4.665 3.873 1.00 0.00 C ATOM 0 H ALA A 64 -13.007 -3.188 3.255 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.489 -4.760 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.536 -5.426 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.232 -3.677 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.856 -4.745 2.786 1.00 0.00 H new