USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 354 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 355 LYS NZ :NH3+ -167:sc= 0.99 (180deg=0.819) USER MOD Single : A 360 ASN : amide:sc= -0.306 K(o=-0.31,f=-0.89) USER MOD Single : A 361 SER OG : rot -108:sc= 1.25 USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 TYR OH : rot 180:sc= -0.486 USER MOD Single : A 373 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.24) USER MOD Single : A 375 THR OG1 : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 GLN : amide:sc= -1.59 K(o=-1.6,f=-5.4!) USER MOD Single : A 387 SER OG : rot -110:sc= -0.586 USER MOD Single : A 389 ASN : amide:sc= -2.1! C(o=-2.1!,f=-14!) USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 396 THR OG1 : rot 4:sc= 0.286 USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 401 LYS NZ :NH3+ 166:sc= -0.0251 (180deg=-0.207) USER MOD Single : A 403 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 SER OG : rot 13:sc= -0.191 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 421 SER OG : rot -25:sc= -1.39! USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 427 SER OG : rot 180:sc= 0.00403 USER MOD Single : A 430 SER OG : rot 3:sc= -0.417 USER MOD Single : A 431 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N LYS A 353 -9.822 8.235 2.399 1.00 20.22 N ATOM 106 CA LYS A 353 -10.099 7.238 3.410 1.00 32.40 C ATOM 107 C LYS A 353 -9.185 6.021 3.240 1.00 24.11 C ATOM 108 O LYS A 353 -8.507 5.593 4.181 1.00 73.43 O ATOM 109 CB LYS A 353 -11.534 6.791 3.243 1.00 14.30 C ATOM 110 CG LYS A 353 -11.992 5.759 4.243 1.00 25.13 C ATOM 111 CD LYS A 353 -13.351 5.228 3.869 1.00 12.11 C ATOM 112 CE LYS A 353 -14.412 6.313 3.845 1.00 53.33 C ATOM 113 NZ LYS A 353 -15.742 5.774 3.501 1.00 4.22 N ATOM 0 HA LYS A 353 -9.927 7.668 4.397 1.00 32.40 H new ATOM 0 HB2 LYS A 353 -12.183 7.663 3.318 1.00 14.30 H new ATOM 0 HB3 LYS A 353 -11.660 6.385 2.239 1.00 14.30 H new ATOM 0 HG2 LYS A 353 -11.274 4.940 4.284 1.00 25.13 H new ATOM 0 HG3 LYS A 353 -12.029 6.201 5.239 1.00 25.13 H new ATOM 0 HD2 LYS A 353 -13.296 4.756 2.888 1.00 12.11 H new ATOM 0 HD3 LYS A 353 -13.643 4.454 4.579 1.00 12.11 H new ATOM 0 HE2 LYS A 353 -14.458 6.798 4.820 1.00 53.33 H new ATOM 0 HE3 LYS A 353 -14.132 7.079 3.121 1.00 53.33 H new ATOM 0 HZ1 LYS A 353 -16.439 6.546 3.495 1.00 4.22 H new ATOM 0 HZ2 LYS A 353 -15.705 5.334 2.560 1.00 4.22 H new ATOM 0 HZ3 LYS A 353 -16.021 5.062 4.206 1.00 4.22 H new ATOM 127 N ASN A 354 -9.148 5.502 2.026 1.00 71.53 N ATOM 128 CA ASN A 354 -8.406 4.292 1.723 1.00 12.52 C ATOM 129 C ASN A 354 -6.920 4.484 1.822 1.00 22.32 C ATOM 130 O ASN A 354 -6.219 3.586 2.272 1.00 24.10 O ATOM 131 CB ASN A 354 -8.778 3.713 0.357 1.00 63.31 C ATOM 132 CG ASN A 354 -10.215 3.221 0.274 1.00 71.22 C ATOM 133 OD1 ASN A 354 -10.791 2.773 1.258 1.00 45.32 O ATOM 134 ND2 ASN A 354 -10.803 3.303 -0.899 1.00 11.10 N ATOM 0 H ASN A 354 -9.631 5.907 1.224 1.00 71.53 H new ATOM 0 HA ASN A 354 -8.697 3.571 2.487 1.00 12.52 H new ATOM 0 HB2 ASN A 354 -8.619 4.475 -0.406 1.00 63.31 H new ATOM 0 HB3 ASN A 354 -8.106 2.886 0.127 1.00 63.31 H new ATOM 0 HD21 ASN A 354 -11.767 2.988 -1.009 1.00 11.10 H new ATOM 0 HD22 ASN A 354 -10.295 3.681 -1.699 1.00 11.10 H new ATOM 141 N LYS A 355 -6.424 5.657 1.424 1.00 2.45 N ATOM 142 CA LYS A 355 -4.988 5.923 1.512 1.00 42.10 C ATOM 143 C LYS A 355 -4.483 5.799 2.939 1.00 13.21 C ATOM 144 O LYS A 355 -3.390 5.304 3.172 1.00 61.13 O ATOM 145 CB LYS A 355 -4.585 7.269 0.889 1.00 21.52 C ATOM 146 CG LYS A 355 -4.779 7.325 -0.617 1.00 32.20 C ATOM 147 CD LYS A 355 -4.259 8.618 -1.216 1.00 1.14 C ATOM 148 CE LYS A 355 -4.443 8.624 -2.726 1.00 40.11 C ATOM 149 NZ LYS A 355 -3.940 9.865 -3.364 1.00 44.55 N ATOM 0 H LYS A 355 -6.982 6.423 1.046 1.00 2.45 H new ATOM 0 HA LYS A 355 -4.501 5.152 0.915 1.00 42.10 H new ATOM 0 HB2 LYS A 355 -5.170 8.064 1.352 1.00 21.52 H new ATOM 0 HB3 LYS A 355 -3.538 7.468 1.120 1.00 21.52 H new ATOM 0 HG2 LYS A 355 -4.267 6.481 -1.079 1.00 32.20 H new ATOM 0 HG3 LYS A 355 -5.839 7.220 -0.849 1.00 32.20 H new ATOM 0 HD2 LYS A 355 -4.786 9.465 -0.777 1.00 1.14 H new ATOM 0 HD3 LYS A 355 -3.203 8.738 -0.973 1.00 1.14 H new ATOM 0 HE2 LYS A 355 -3.924 7.766 -3.154 1.00 40.11 H new ATOM 0 HE3 LYS A 355 -5.501 8.505 -2.958 1.00 40.11 H new ATOM 0 HZ1 LYS A 355 -4.283 9.915 -4.345 1.00 44.55 H new ATOM 0 HZ2 LYS A 355 -4.284 10.691 -2.834 1.00 44.55 H new ATOM 0 HZ3 LYS A 355 -2.900 9.860 -3.361 1.00 44.55 H new ATOM 163 N ARG A 356 -5.299 6.218 3.888 1.00 33.34 N ATOM 164 CA ARG A 356 -4.975 6.096 5.267 1.00 62.52 C ATOM 165 C ARG A 356 -5.117 4.642 5.709 1.00 24.10 C ATOM 166 O ARG A 356 -4.239 4.101 6.385 1.00 53.24 O ATOM 167 CB ARG A 356 -5.897 6.968 6.089 1.00 31.11 C ATOM 168 CG ARG A 356 -5.604 6.897 7.550 1.00 32.43 C ATOM 169 CD ARG A 356 -6.565 7.736 8.355 1.00 32.42 C ATOM 170 NE ARG A 356 -6.515 9.144 7.979 1.00 71.22 N ATOM 171 CZ ARG A 356 -7.301 10.091 8.487 1.00 15.33 C ATOM 172 NH1 ARG A 356 -8.163 9.797 9.454 1.00 41.25 N ATOM 173 NH2 ARG A 356 -7.205 11.334 8.050 1.00 71.11 N ATOM 0 H ARG A 356 -6.204 6.652 3.707 1.00 33.34 H new ATOM 0 HA ARG A 356 -3.944 6.417 5.418 1.00 62.52 H new ATOM 0 HB2 ARG A 356 -5.807 8.001 5.754 1.00 31.11 H new ATOM 0 HB3 ARG A 356 -6.929 6.665 5.914 1.00 31.11 H new ATOM 0 HG2 ARG A 356 -5.660 5.860 7.882 1.00 32.43 H new ATOM 0 HG3 ARG A 356 -4.584 7.236 7.733 1.00 32.43 H new ATOM 0 HD2 ARG A 356 -7.578 7.360 8.215 1.00 32.42 H new ATOM 0 HD3 ARG A 356 -6.332 7.636 9.415 1.00 32.42 H new ATOM 0 HE ARG A 356 -5.829 9.423 7.277 1.00 71.22 H new ATOM 0 HH11 ARG A 356 -8.224 8.843 9.810 1.00 41.25 H new ATOM 0 HH12 ARG A 356 -8.763 10.525 9.841 1.00 41.25 H new ATOM 0 HH21 ARG A 356 -6.529 11.568 7.323 1.00 71.11 H new ATOM 0 HH22 ARG A 356 -7.807 12.059 8.439 1.00 71.11 H new ATOM 187 N ALA A 357 -6.221 4.014 5.300 1.00 22.01 N ATOM 188 CA ALA A 357 -6.534 2.633 5.676 1.00 23.31 C ATOM 189 C ALA A 357 -5.426 1.672 5.260 1.00 50.42 C ATOM 190 O ALA A 357 -5.072 0.756 6.006 1.00 74.52 O ATOM 191 CB ALA A 357 -7.864 2.203 5.074 1.00 32.53 C ATOM 0 H ALA A 357 -6.923 4.447 4.700 1.00 22.01 H new ATOM 0 HA ALA A 357 -6.612 2.598 6.763 1.00 23.31 H new ATOM 0 HB1 ALA A 357 -8.079 1.175 5.364 1.00 32.53 H new ATOM 0 HB2 ALA A 357 -8.657 2.856 5.438 1.00 32.53 H new ATOM 0 HB3 ALA A 357 -7.810 2.269 3.987 1.00 32.53 H new ATOM 197 N ILE A 358 -4.880 1.893 4.084 1.00 42.31 N ATOM 198 CA ILE A 358 -3.802 1.076 3.572 1.00 63.21 C ATOM 199 C ILE A 358 -2.518 1.262 4.402 1.00 24.45 C ATOM 200 O ILE A 358 -1.800 0.310 4.641 1.00 14.24 O ATOM 201 CB ILE A 358 -3.533 1.372 2.075 1.00 3.35 C ATOM 202 CG1 ILE A 358 -4.777 1.046 1.239 1.00 54.25 C ATOM 203 CG2 ILE A 358 -2.322 0.592 1.560 1.00 32.50 C ATOM 204 CD1 ILE A 358 -4.641 1.391 -0.225 1.00 24.31 C ATOM 0 H ILE A 358 -5.170 2.643 3.457 1.00 42.31 H new ATOM 0 HA ILE A 358 -4.113 0.035 3.659 1.00 63.21 H new ATOM 0 HB ILE A 358 -3.309 2.434 1.977 1.00 3.35 H new ATOM 0 HG12 ILE A 358 -4.996 -0.018 1.332 1.00 54.25 H new ATOM 0 HG13 ILE A 358 -5.630 1.585 1.651 1.00 54.25 H new ATOM 0 HG21 ILE A 358 -2.162 0.823 0.507 1.00 32.50 H new ATOM 0 HG22 ILE A 358 -1.438 0.873 2.132 1.00 32.50 H new ATOM 0 HG23 ILE A 358 -2.503 -0.477 1.674 1.00 32.50 H new ATOM 0 HD11 ILE A 358 -5.562 1.131 -0.747 1.00 24.31 H new ATOM 0 HD12 ILE A 358 -4.453 2.459 -0.331 1.00 24.31 H new ATOM 0 HD13 ILE A 358 -3.810 0.832 -0.655 1.00 24.31 H new ATOM 216 N ARG A 359 -2.268 2.480 4.880 1.00 50.14 N ATOM 217 CA ARG A 359 -1.054 2.757 5.681 1.00 3.42 C ATOM 218 C ARG A 359 -1.136 2.066 7.035 1.00 53.53 C ATOM 219 O ARG A 359 -0.125 1.634 7.595 1.00 30.20 O ATOM 220 CB ARG A 359 -0.847 4.256 5.892 1.00 12.44 C ATOM 221 CG ARG A 359 -0.750 5.070 4.619 1.00 41.14 C ATOM 222 CD ARG A 359 -0.492 6.537 4.918 1.00 31.31 C ATOM 223 NE ARG A 359 -0.584 7.376 3.712 1.00 60.40 N ATOM 224 CZ ARG A 359 0.343 8.260 3.303 1.00 15.42 C ATOM 225 NH1 ARG A 359 1.500 8.386 3.959 1.00 71.12 N ATOM 226 NH2 ARG A 359 0.103 9.023 2.240 1.00 14.01 N ATOM 0 H ARG A 359 -2.874 3.287 4.735 1.00 50.14 H new ATOM 0 HA ARG A 359 -0.205 2.366 5.121 1.00 3.42 H new ATOM 0 HB2 ARG A 359 -1.672 4.641 6.491 1.00 12.44 H new ATOM 0 HB3 ARG A 359 0.064 4.404 6.472 1.00 12.44 H new ATOM 0 HG2 ARG A 359 0.053 4.678 3.995 1.00 41.14 H new ATOM 0 HG3 ARG A 359 -1.674 4.970 4.050 1.00 41.14 H new ATOM 0 HD2 ARG A 359 -1.212 6.887 5.658 1.00 31.31 H new ATOM 0 HD3 ARG A 359 0.498 6.647 5.360 1.00 31.31 H new ATOM 0 HE ARG A 359 -1.422 7.279 3.138 1.00 60.40 H new ATOM 0 HH11 ARG A 359 1.687 7.808 4.779 1.00 71.12 H new ATOM 0 HH12 ARG A 359 2.196 9.060 3.640 1.00 71.12 H new ATOM 0 HH21 ARG A 359 -0.781 8.936 1.739 1.00 14.01 H new ATOM 0 HH22 ARG A 359 0.803 9.695 1.926 1.00 14.01 H new ATOM 240 N ASN A 360 -2.356 1.943 7.532 1.00 73.54 N ATOM 241 CA ASN A 360 -2.646 1.321 8.834 1.00 25.23 C ATOM 242 C ASN A 360 -2.209 -0.135 8.900 1.00 74.53 C ATOM 243 O ASN A 360 -2.038 -0.685 9.989 1.00 3.24 O ATOM 244 CB ASN A 360 -4.134 1.441 9.198 1.00 73.33 C ATOM 245 CG ASN A 360 -4.572 2.874 9.406 1.00 4.31 C ATOM 246 OD1 ASN A 360 -3.786 3.722 9.828 1.00 53.20 O ATOM 247 ND2 ASN A 360 -5.821 3.156 9.143 1.00 52.33 N ATOM 0 H ASN A 360 -3.189 2.273 7.045 1.00 73.54 H new ATOM 0 HA ASN A 360 -2.059 1.874 9.567 1.00 25.23 H new ATOM 0 HB2 ASN A 360 -4.734 0.993 8.406 1.00 73.33 H new ATOM 0 HB3 ASN A 360 -4.328 0.871 10.106 1.00 73.33 H new ATOM 0 HD21 ASN A 360 -6.171 4.103 9.286 1.00 52.33 H new ATOM 0 HD22 ASN A 360 -6.446 2.429 8.794 1.00 52.33 H new ATOM 254 N SER A 361 -2.027 -0.754 7.744 1.00 33.43 N ATOM 255 CA SER A 361 -1.647 -2.142 7.665 1.00 43.03 C ATOM 256 C SER A 361 -0.320 -2.401 8.384 1.00 50.31 C ATOM 257 O SER A 361 -0.219 -3.328 9.158 1.00 63.33 O ATOM 258 CB SER A 361 -1.575 -2.572 6.210 1.00 5.41 C ATOM 259 OG SER A 361 -0.605 -1.823 5.498 1.00 1.34 O ATOM 0 H SER A 361 -2.141 -0.301 6.837 1.00 33.43 H new ATOM 0 HA SER A 361 -2.406 -2.738 8.171 1.00 43.03 H new ATOM 0 HB2 SER A 361 -1.331 -3.633 6.154 1.00 5.41 H new ATOM 0 HB3 SER A 361 -2.551 -2.444 5.742 1.00 5.41 H new ATOM 0 HG SER A 361 -1.055 -1.204 4.885 1.00 1.34 H new ATOM 265 N ALA A 362 0.667 -1.538 8.162 1.00 53.33 N ATOM 266 CA ALA A 362 1.985 -1.685 8.793 1.00 3.52 C ATOM 267 C ALA A 362 1.889 -1.514 10.299 1.00 64.02 C ATOM 268 O ALA A 362 2.701 -2.000 11.037 1.00 63.41 O ATOM 269 CB ALA A 362 2.974 -0.693 8.207 1.00 71.33 C ATOM 0 H ALA A 362 0.584 -0.727 7.550 1.00 53.33 H new ATOM 0 HA ALA A 362 2.345 -2.693 8.588 1.00 3.52 H new ATOM 0 HB1 ALA A 362 3.944 -0.819 8.688 1.00 71.33 H new ATOM 0 HB2 ALA A 362 3.075 -0.869 7.136 1.00 71.33 H new ATOM 0 HB3 ALA A 362 2.614 0.322 8.375 1.00 71.33 H new ATOM 275 N LYS A 363 0.916 -0.783 10.737 1.00 24.43 N ATOM 276 CA LYS A 363 0.709 -0.608 12.124 1.00 12.21 C ATOM 277 C LYS A 363 0.068 -1.848 12.756 1.00 72.42 C ATOM 278 O LYS A 363 0.552 -2.370 13.764 1.00 31.43 O ATOM 279 CB LYS A 363 -0.087 0.640 12.365 1.00 23.52 C ATOM 280 CG LYS A 363 0.582 1.839 11.715 1.00 32.24 C ATOM 281 CD LYS A 363 0.321 3.117 12.450 1.00 73.03 C ATOM 282 CE LYS A 363 0.958 3.065 13.828 1.00 45.00 C ATOM 283 NZ LYS A 363 0.812 4.341 14.550 1.00 14.11 N ATOM 0 H LYS A 363 0.248 -0.295 10.140 1.00 24.43 H new ATOM 0 HA LYS A 363 1.674 -0.487 12.615 1.00 12.21 H new ATOM 0 HB2 LYS A 363 -1.094 0.518 11.965 1.00 23.52 H new ATOM 0 HB3 LYS A 363 -0.189 0.811 13.437 1.00 23.52 H new ATOM 0 HG2 LYS A 363 1.657 1.667 11.665 1.00 32.24 H new ATOM 0 HG3 LYS A 363 0.227 1.936 10.689 1.00 32.24 H new ATOM 0 HD2 LYS A 363 0.723 3.959 11.886 1.00 73.03 H new ATOM 0 HD3 LYS A 363 -0.753 3.280 12.543 1.00 73.03 H new ATOM 0 HE2 LYS A 363 0.500 2.265 14.409 1.00 45.00 H new ATOM 0 HE3 LYS A 363 2.016 2.823 13.730 1.00 45.00 H new ATOM 0 HZ1 LYS A 363 1.260 4.264 15.485 1.00 14.11 H new ATOM 0 HZ2 LYS A 363 1.271 5.101 14.008 1.00 14.11 H new ATOM 0 HZ3 LYS A 363 -0.198 4.560 14.667 1.00 14.11 H new ATOM 297 N GLU A 364 -0.999 -2.341 12.125 1.00 45.43 N ATOM 298 CA GLU A 364 -1.753 -3.492 12.643 1.00 22.34 C ATOM 299 C GLU A 364 -1.063 -4.846 12.368 1.00 3.51 C ATOM 300 O GLU A 364 -1.212 -5.789 13.142 1.00 72.51 O ATOM 301 CB GLU A 364 -3.169 -3.508 12.060 1.00 71.13 C ATOM 302 CG GLU A 364 -4.001 -2.282 12.399 1.00 64.22 C ATOM 303 CD GLU A 364 -5.387 -2.342 11.803 1.00 45.14 C ATOM 304 OE1 GLU A 364 -6.295 -2.936 12.427 1.00 44.05 O ATOM 305 OE2 GLU A 364 -5.595 -1.814 10.709 1.00 44.21 O ATOM 0 H GLU A 364 -1.364 -1.962 11.251 1.00 45.43 H new ATOM 0 HA GLU A 364 -1.795 -3.368 13.725 1.00 22.34 H new ATOM 0 HB2 GLU A 364 -3.102 -3.598 10.976 1.00 71.13 H new ATOM 0 HB3 GLU A 364 -3.688 -4.396 12.422 1.00 71.13 H new ATOM 0 HG2 GLU A 364 -4.078 -2.187 13.482 1.00 64.22 H new ATOM 0 HG3 GLU A 364 -3.491 -1.389 12.037 1.00 64.22 H new ATOM 312 N ALA A 365 -0.313 -4.937 11.294 1.00 53.44 N ATOM 313 CA ALA A 365 0.392 -6.181 10.945 1.00 61.34 C ATOM 314 C ALA A 365 1.790 -6.135 11.457 1.00 34.52 C ATOM 315 O ALA A 365 2.580 -7.063 11.229 1.00 73.34 O ATOM 316 CB ALA A 365 0.427 -6.372 9.448 1.00 5.31 C ATOM 0 H ALA A 365 -0.166 -4.171 10.636 1.00 53.44 H new ATOM 0 HA ALA A 365 -0.144 -7.013 11.401 1.00 61.34 H new ATOM 0 HB1 ALA A 365 0.953 -7.297 9.211 1.00 5.31 H new ATOM 0 HB2 ALA A 365 -0.592 -6.425 9.064 1.00 5.31 H new ATOM 0 HB3 ALA A 365 0.946 -5.532 8.986 1.00 5.31 H new ATOM 322 N ASP A 366 2.081 -5.051 12.157 1.00 64.25 N ATOM 323 CA ASP A 366 3.380 -4.750 12.689 1.00 35.43 C ATOM 324 C ASP A 366 4.317 -4.294 11.620 1.00 24.12 C ATOM 325 O ASP A 366 4.109 -4.544 10.441 1.00 73.32 O ATOM 326 CB ASP A 366 3.981 -5.890 13.517 1.00 33.12 C ATOM 327 CG ASP A 366 3.243 -6.114 14.811 1.00 74.21 C ATOM 328 OD1 ASP A 366 3.376 -5.282 15.737 1.00 4.10 O ATOM 329 OD2 ASP A 366 2.522 -7.123 14.929 1.00 0.30 O ATOM 0 H ASP A 366 1.386 -4.336 12.373 1.00 64.25 H new ATOM 0 HA ASP A 366 3.233 -3.924 13.385 1.00 35.43 H new ATOM 0 HB2 ASP A 366 3.966 -6.808 12.930 1.00 33.12 H new ATOM 0 HB3 ASP A 366 5.026 -5.667 13.732 1.00 33.12 H new ATOM 334 N TYR A 367 5.345 -3.611 12.028 1.00 40.14 N ATOM 335 CA TYR A 367 6.338 -3.071 11.127 1.00 60.13 C ATOM 336 C TYR A 367 7.274 -4.144 10.603 1.00 24.12 C ATOM 337 O TYR A 367 8.286 -3.846 9.962 1.00 10.25 O ATOM 338 CB TYR A 367 7.089 -1.938 11.797 1.00 72.50 C ATOM 339 CG TYR A 367 6.243 -0.698 11.995 1.00 54.14 C ATOM 340 CD1 TYR A 367 5.253 -0.624 12.978 1.00 24.25 C ATOM 341 CD2 TYR A 367 6.431 0.392 11.184 1.00 20.21 C ATOM 342 CE1 TYR A 367 4.487 0.520 13.128 1.00 40.45 C ATOM 343 CE2 TYR A 367 5.681 1.524 11.325 1.00 53.52 C ATOM 344 CZ TYR A 367 4.710 1.589 12.295 1.00 22.53 C ATOM 345 OH TYR A 367 3.962 2.736 12.436 1.00 70.51 O ATOM 0 H TYR A 367 5.526 -3.406 13.011 1.00 40.14 H new ATOM 0 HA TYR A 367 5.823 -2.668 10.255 1.00 60.13 H new ATOM 0 HB2 TYR A 367 7.458 -2.277 12.765 1.00 72.50 H new ATOM 0 HB3 TYR A 367 7.961 -1.683 11.195 1.00 72.50 H new ATOM 0 HD1 TYR A 367 5.083 -1.469 13.629 1.00 24.25 H new ATOM 0 HD2 TYR A 367 7.190 0.354 10.416 1.00 20.21 H new ATOM 0 HE1 TYR A 367 3.724 0.571 13.890 1.00 40.45 H new ATOM 0 HE2 TYR A 367 5.851 2.369 10.674 1.00 53.52 H new ATOM 0 HH TYR A 367 4.246 3.396 11.770 1.00 70.51 H new ATOM 355 N PHE A 368 6.911 -5.394 10.892 1.00 41.54 N ATOM 356 CA PHE A 368 7.551 -6.595 10.380 1.00 62.42 C ATOM 357 C PHE A 368 9.001 -6.688 10.868 1.00 42.14 C ATOM 358 O PHE A 368 9.815 -7.405 10.299 1.00 12.30 O ATOM 359 CB PHE A 368 7.484 -6.604 8.836 1.00 25.02 C ATOM 360 CG PHE A 368 6.116 -6.238 8.262 1.00 5.31 C ATOM 361 CD1 PHE A 368 5.025 -7.101 8.341 1.00 33.23 C ATOM 362 CD2 PHE A 368 5.940 -5.017 7.624 1.00 72.02 C ATOM 363 CE1 PHE A 368 3.801 -6.741 7.798 1.00 72.54 C ATOM 364 CE2 PHE A 368 4.724 -4.657 7.088 1.00 32.43 C ATOM 365 CZ PHE A 368 3.656 -5.517 7.170 1.00 25.15 C ATOM 0 H PHE A 368 6.130 -5.600 11.515 1.00 41.54 H new ATOM 0 HA PHE A 368 7.019 -7.468 10.758 1.00 62.42 H new ATOM 0 HB2 PHE A 368 8.226 -5.906 8.448 1.00 25.02 H new ATOM 0 HB3 PHE A 368 7.761 -7.595 8.478 1.00 25.02 H new ATOM 0 HD1 PHE A 368 5.134 -8.058 8.829 1.00 33.23 H new ATOM 0 HD2 PHE A 368 6.774 -4.336 7.547 1.00 72.02 H new ATOM 0 HE1 PHE A 368 2.961 -7.416 7.865 1.00 72.54 H new ATOM 0 HE2 PHE A 368 4.610 -3.699 6.603 1.00 32.43 H new ATOM 0 HZ PHE A 368 2.704 -5.238 6.744 1.00 25.15 H new ATOM 375 N GLY A 369 9.288 -6.008 11.963 1.00 11.43 N ATOM 376 CA GLY A 369 10.629 -5.979 12.504 1.00 44.14 C ATOM 377 C GLY A 369 11.435 -4.787 12.017 1.00 21.22 C ATOM 378 O GLY A 369 12.546 -4.549 12.480 1.00 34.42 O ATOM 0 H GLY A 369 8.606 -5.467 12.495 1.00 11.43 H new ATOM 0 HA2 GLY A 369 10.576 -5.956 13.592 1.00 44.14 H new ATOM 0 HA3 GLY A 369 11.146 -6.898 12.230 1.00 44.14 H new ATOM 382 N ASP A 370 10.864 -4.030 11.106 1.00 15.25 N ATOM 383 CA ASP A 370 11.494 -2.825 10.557 1.00 23.02 C ATOM 384 C ASP A 370 10.850 -1.582 11.168 1.00 73.51 C ATOM 385 O ASP A 370 10.662 -0.561 10.513 1.00 22.41 O ATOM 386 CB ASP A 370 11.365 -2.798 9.021 1.00 13.34 C ATOM 387 CG ASP A 370 12.230 -3.826 8.312 1.00 50.02 C ATOM 388 OD1 ASP A 370 11.883 -5.018 8.309 1.00 74.22 O ATOM 389 OD2 ASP A 370 13.267 -3.446 7.725 1.00 44.03 O ATOM 0 H ASP A 370 9.942 -4.225 10.715 1.00 15.25 H new ATOM 0 HA ASP A 370 12.554 -2.836 10.809 1.00 23.02 H new ATOM 0 HB2 ASP A 370 10.323 -2.967 8.751 1.00 13.34 H new ATOM 0 HB3 ASP A 370 11.631 -1.804 8.661 1.00 13.34 H new ATOM 394 N ALA A 371 10.583 -1.672 12.453 1.00 33.44 N ATOM 395 CA ALA A 371 9.925 -0.625 13.238 1.00 62.31 C ATOM 396 C ALA A 371 10.722 0.681 13.249 1.00 53.01 C ATOM 397 O ALA A 371 10.153 1.764 13.307 1.00 61.45 O ATOM 398 CB ALA A 371 9.701 -1.118 14.657 1.00 12.44 C ATOM 0 H ALA A 371 10.821 -2.496 13.006 1.00 33.44 H new ATOM 0 HA ALA A 371 8.967 -0.409 12.766 1.00 62.31 H new ATOM 0 HB1 ALA A 371 9.211 -0.338 15.240 1.00 12.44 H new ATOM 0 HB2 ALA A 371 9.070 -2.007 14.638 1.00 12.44 H new ATOM 0 HB3 ALA A 371 10.660 -1.363 15.113 1.00 12.44 H new ATOM 404 N ASP A 372 12.030 0.564 13.168 1.00 21.24 N ATOM 405 CA ASP A 372 12.932 1.730 13.168 1.00 14.50 C ATOM 406 C ASP A 372 12.975 2.368 11.796 1.00 65.42 C ATOM 407 O ASP A 372 13.593 3.418 11.595 1.00 52.51 O ATOM 408 CB ASP A 372 14.370 1.345 13.583 1.00 60.43 C ATOM 409 CG ASP A 372 14.471 0.749 14.967 1.00 73.24 C ATOM 410 OD1 ASP A 372 14.432 1.500 15.960 1.00 22.44 O ATOM 411 OD2 ASP A 372 14.582 -0.491 15.086 1.00 2.21 O ATOM 0 H ASP A 372 12.512 -0.333 13.100 1.00 21.24 H new ATOM 0 HA ASP A 372 12.535 2.437 13.897 1.00 14.50 H new ATOM 0 HB2 ASP A 372 14.767 0.631 12.861 1.00 60.43 H new ATOM 0 HB3 ASP A 372 15.001 2.232 13.534 1.00 60.43 H new ATOM 416 N LYS A 373 12.343 1.716 10.849 1.00 11.51 N ATOM 417 CA LYS A 373 12.304 2.138 9.503 1.00 72.03 C ATOM 418 C LYS A 373 10.867 2.574 9.172 1.00 64.32 C ATOM 419 O LYS A 373 10.508 2.764 8.015 1.00 52.51 O ATOM 420 CB LYS A 373 12.738 0.937 8.686 1.00 30.04 C ATOM 421 CG LYS A 373 12.901 1.137 7.210 1.00 25.35 C ATOM 422 CD LYS A 373 13.366 -0.154 6.551 1.00 63.21 C ATOM 423 CE LYS A 373 14.687 -0.633 7.147 1.00 41.13 C ATOM 424 NZ LYS A 373 15.118 -1.918 6.588 1.00 2.34 N ATOM 0 H LYS A 373 11.830 0.851 11.019 1.00 11.51 H new ATOM 0 HA LYS A 373 12.956 2.986 9.293 1.00 72.03 H new ATOM 0 HB2 LYS A 373 13.688 0.581 9.086 1.00 30.04 H new ATOM 0 HB3 LYS A 373 12.009 0.142 8.841 1.00 30.04 H new ATOM 0 HG2 LYS A 373 11.955 1.457 6.773 1.00 25.35 H new ATOM 0 HG3 LYS A 373 13.624 1.931 7.021 1.00 25.35 H new ATOM 0 HD2 LYS A 373 12.606 -0.925 6.678 1.00 63.21 H new ATOM 0 HD3 LYS A 373 13.484 0.004 5.479 1.00 63.21 H new ATOM 0 HE2 LYS A 373 15.458 0.116 6.965 1.00 41.13 H new ATOM 0 HE3 LYS A 373 14.582 -0.727 8.228 1.00 41.13 H new ATOM 0 HZ1 LYS A 373 16.036 -2.185 6.998 1.00 2.34 H new ATOM 0 HZ2 LYS A 373 14.413 -2.648 6.813 1.00 2.34 H new ATOM 0 HZ3 LYS A 373 15.212 -1.833 5.556 1.00 2.34 H new ATOM 438 N ALA A 374 10.063 2.739 10.237 1.00 73.43 N ATOM 439 CA ALA A 374 8.675 3.182 10.175 1.00 21.33 C ATOM 440 C ALA A 374 8.470 4.359 9.230 1.00 32.53 C ATOM 441 O ALA A 374 7.602 4.310 8.370 1.00 63.02 O ATOM 442 CB ALA A 374 8.222 3.567 11.568 1.00 43.13 C ATOM 0 H ALA A 374 10.379 2.560 11.190 1.00 73.43 H new ATOM 0 HA ALA A 374 8.082 2.355 9.784 1.00 21.33 H new ATOM 0 HB1 ALA A 374 7.185 3.900 11.534 1.00 43.13 H new ATOM 0 HB2 ALA A 374 8.305 2.704 12.229 1.00 43.13 H new ATOM 0 HB3 ALA A 374 8.850 4.374 11.945 1.00 43.13 H new ATOM 448 N THR A 375 9.283 5.393 9.369 1.00 35.13 N ATOM 449 CA THR A 375 9.155 6.570 8.541 1.00 71.51 C ATOM 450 C THR A 375 9.331 6.218 7.050 1.00 14.43 C ATOM 451 O THR A 375 8.570 6.698 6.189 1.00 30.20 O ATOM 452 CB THR A 375 10.157 7.651 8.974 1.00 61.33 C ATOM 453 OG1 THR A 375 9.920 7.992 10.358 1.00 63.22 O ATOM 454 CG2 THR A 375 10.000 8.892 8.123 1.00 72.20 C ATOM 0 H THR A 375 10.040 5.436 10.051 1.00 35.13 H new ATOM 0 HA THR A 375 8.149 6.969 8.673 1.00 71.51 H new ATOM 0 HB THR A 375 11.168 7.263 8.849 1.00 61.33 H new ATOM 0 HG1 THR A 375 10.558 8.680 10.639 1.00 63.22 H new ATOM 0 HG21 THR A 375 10.718 9.647 8.444 1.00 72.20 H new ATOM 0 HG22 THR A 375 10.180 8.641 7.078 1.00 72.20 H new ATOM 0 HG23 THR A 375 8.989 9.283 8.233 1.00 72.20 H new ATOM 462 N THR A 376 10.295 5.363 6.765 1.00 31.40 N ATOM 463 CA THR A 376 10.531 4.900 5.426 1.00 44.55 C ATOM 464 C THR A 376 9.350 4.038 4.963 1.00 2.12 C ATOM 465 O THR A 376 8.877 4.182 3.850 1.00 73.14 O ATOM 466 CB THR A 376 11.836 4.082 5.358 1.00 10.14 C ATOM 467 OG1 THR A 376 12.928 4.887 5.828 1.00 1.44 O ATOM 468 CG2 THR A 376 12.126 3.602 3.935 1.00 24.15 C ATOM 0 H THR A 376 10.932 4.975 7.461 1.00 31.40 H new ATOM 0 HA THR A 376 10.630 5.764 4.769 1.00 44.55 H new ATOM 0 HB THR A 376 11.719 3.202 5.991 1.00 10.14 H new ATOM 0 HG1 THR A 376 13.758 4.368 5.787 1.00 1.44 H new ATOM 0 HG21 THR A 376 13.053 3.029 3.926 1.00 24.15 H new ATOM 0 HG22 THR A 376 11.307 2.972 3.590 1.00 24.15 H new ATOM 0 HG23 THR A 376 12.225 4.463 3.274 1.00 24.15 H new ATOM 476 N ILE A 377 8.866 3.173 5.846 1.00 11.21 N ATOM 477 CA ILE A 377 7.734 2.304 5.545 1.00 33.15 C ATOM 478 C ILE A 377 6.483 3.134 5.200 1.00 12.24 C ATOM 479 O ILE A 377 5.815 2.868 4.203 1.00 23.31 O ATOM 480 CB ILE A 377 7.442 1.296 6.702 1.00 50.10 C ATOM 481 CG1 ILE A 377 8.647 0.359 6.902 1.00 23.11 C ATOM 482 CG2 ILE A 377 6.177 0.484 6.414 1.00 1.40 C ATOM 483 CD1 ILE A 377 8.477 -0.644 8.029 1.00 2.41 C ATOM 0 H ILE A 377 9.244 3.054 6.786 1.00 11.21 H new ATOM 0 HA ILE A 377 8.004 1.712 4.670 1.00 33.15 H new ATOM 0 HB ILE A 377 7.278 1.863 7.619 1.00 50.10 H new ATOM 0 HG12 ILE A 377 8.830 -0.182 5.974 1.00 23.11 H new ATOM 0 HG13 ILE A 377 9.533 0.962 7.099 1.00 23.11 H new ATOM 0 HG21 ILE A 377 5.996 -0.210 7.234 1.00 1.40 H new ATOM 0 HG22 ILE A 377 5.326 1.158 6.315 1.00 1.40 H new ATOM 0 HG23 ILE A 377 6.307 -0.075 5.487 1.00 1.40 H new ATOM 0 HD11 ILE A 377 9.370 -1.264 8.102 1.00 2.41 H new ATOM 0 HD12 ILE A 377 8.326 -0.113 8.969 1.00 2.41 H new ATOM 0 HD13 ILE A 377 7.612 -1.276 7.827 1.00 2.41 H new ATOM 495 N ASP A 378 6.198 4.160 5.999 1.00 2.43 N ATOM 496 CA ASP A 378 5.080 5.079 5.713 1.00 15.32 C ATOM 497 C ASP A 378 5.264 5.782 4.388 1.00 22.01 C ATOM 498 O ASP A 378 4.291 6.150 3.715 1.00 3.53 O ATOM 499 CB ASP A 378 4.880 6.121 6.820 1.00 33.31 C ATOM 500 CG ASP A 378 4.148 5.594 8.027 1.00 20.52 C ATOM 501 OD1 ASP A 378 4.770 4.983 8.896 1.00 64.03 O ATOM 502 OD2 ASP A 378 2.918 5.817 8.127 1.00 1.23 O ATOM 0 H ASP A 378 6.719 4.382 6.848 1.00 2.43 H new ATOM 0 HA ASP A 378 4.186 4.457 5.666 1.00 15.32 H new ATOM 0 HB2 ASP A 378 5.854 6.496 7.133 1.00 33.31 H new ATOM 0 HB3 ASP A 378 4.328 6.968 6.413 1.00 33.31 H new ATOM 507 N GLU A 379 6.503 5.976 4.008 1.00 11.52 N ATOM 508 CA GLU A 379 6.810 6.623 2.769 1.00 5.11 C ATOM 509 C GLU A 379 6.524 5.650 1.617 1.00 53.32 C ATOM 510 O GLU A 379 5.908 6.019 0.615 1.00 64.25 O ATOM 511 CB GLU A 379 8.269 7.055 2.757 1.00 13.13 C ATOM 512 CG GLU A 379 8.488 8.429 2.182 1.00 53.12 C ATOM 513 CD GLU A 379 7.808 9.484 3.026 1.00 64.24 C ATOM 514 OE1 GLU A 379 8.362 9.864 4.079 1.00 61.40 O ATOM 515 OE2 GLU A 379 6.705 9.938 2.669 1.00 13.21 O ATOM 0 H GLU A 379 7.318 5.689 4.550 1.00 11.52 H new ATOM 0 HA GLU A 379 6.191 7.512 2.650 1.00 5.11 H new ATOM 0 HB2 GLU A 379 8.654 7.032 3.776 1.00 13.13 H new ATOM 0 HB3 GLU A 379 8.848 6.333 2.181 1.00 13.13 H new ATOM 0 HG2 GLU A 379 9.556 8.637 2.124 1.00 53.12 H new ATOM 0 HG3 GLU A 379 8.101 8.467 1.164 1.00 53.12 H new ATOM 522 N GLN A 380 6.952 4.396 1.808 1.00 42.42 N ATOM 523 CA GLN A 380 6.760 3.308 0.831 1.00 2.22 C ATOM 524 C GLN A 380 5.285 3.114 0.543 1.00 41.23 C ATOM 525 O GLN A 380 4.850 3.153 -0.606 1.00 75.21 O ATOM 526 CB GLN A 380 7.269 1.989 1.439 1.00 10.33 C ATOM 527 CG GLN A 380 8.733 1.958 1.812 1.00 63.43 C ATOM 528 CD GLN A 380 9.645 1.941 0.627 1.00 63.41 C ATOM 529 OE1 GLN A 380 9.313 1.409 -0.408 1.00 21.32 O ATOM 530 NE2 GLN A 380 10.796 2.504 0.774 1.00 3.14 N ATOM 0 H GLN A 380 7.446 4.102 2.651 1.00 42.42 H new ATOM 0 HA GLN A 380 7.298 3.568 -0.080 1.00 2.22 H new ATOM 0 HB2 GLN A 380 6.682 1.772 2.331 1.00 10.33 H new ATOM 0 HB3 GLN A 380 7.078 1.185 0.728 1.00 10.33 H new ATOM 0 HG2 GLN A 380 8.963 2.829 2.426 1.00 63.43 H new ATOM 0 HG3 GLN A 380 8.926 1.077 2.423 1.00 63.43 H new ATOM 0 HE21 GLN A 380 11.040 2.942 1.662 1.00 3.14 H new ATOM 0 HE22 GLN A 380 11.463 2.511 0.002 1.00 3.14 H new ATOM 539 N VAL A 381 4.511 2.965 1.610 1.00 3.33 N ATOM 540 CA VAL A 381 3.096 2.686 1.493 1.00 73.24 C ATOM 541 C VAL A 381 2.366 3.886 0.923 1.00 14.25 C ATOM 542 O VAL A 381 1.465 3.745 0.103 1.00 53.34 O ATOM 543 CB VAL A 381 2.467 2.295 2.857 1.00 50.13 C ATOM 544 CG1 VAL A 381 1.017 1.878 2.688 1.00 54.45 C ATOM 545 CG2 VAL A 381 3.266 1.194 3.533 1.00 23.04 C ATOM 0 H VAL A 381 4.848 3.034 2.570 1.00 3.33 H new ATOM 0 HA VAL A 381 2.991 1.838 0.817 1.00 73.24 H new ATOM 0 HB VAL A 381 2.495 3.175 3.499 1.00 50.13 H new ATOM 0 HG11 VAL A 381 0.600 1.609 3.659 1.00 54.45 H new ATOM 0 HG12 VAL A 381 0.447 2.706 2.265 1.00 54.45 H new ATOM 0 HG13 VAL A 381 0.961 1.020 2.019 1.00 54.45 H new ATOM 0 HG21 VAL A 381 2.802 0.941 4.486 1.00 23.04 H new ATOM 0 HG22 VAL A 381 3.284 0.312 2.893 1.00 23.04 H new ATOM 0 HG23 VAL A 381 4.286 1.538 3.706 1.00 23.04 H new ATOM 555 N GLY A 382 2.783 5.065 1.336 1.00 13.15 N ATOM 556 CA GLY A 382 2.157 6.270 0.865 1.00 64.41 C ATOM 557 C GLY A 382 2.321 6.457 -0.626 1.00 5.53 C ATOM 558 O GLY A 382 1.407 6.919 -1.298 1.00 23.13 O ATOM 0 H GLY A 382 3.549 5.208 1.994 1.00 13.15 H new ATOM 0 HA2 GLY A 382 1.095 6.245 1.111 1.00 64.41 H new ATOM 0 HA3 GLY A 382 2.585 7.127 1.386 1.00 64.41 H new ATOM 562 N LEU A 383 3.478 6.080 -1.150 1.00 54.32 N ATOM 563 CA LEU A 383 3.706 6.152 -2.586 1.00 1.20 C ATOM 564 C LEU A 383 2.816 5.153 -3.307 1.00 43.14 C ATOM 565 O LEU A 383 2.270 5.449 -4.371 1.00 33.01 O ATOM 566 CB LEU A 383 5.175 5.916 -2.930 1.00 22.31 C ATOM 567 CG LEU A 383 6.175 6.942 -2.387 1.00 13.22 C ATOM 568 CD1 LEU A 383 7.583 6.552 -2.767 1.00 42.51 C ATOM 569 CD2 LEU A 383 5.859 8.337 -2.913 1.00 22.44 C ATOM 0 H LEU A 383 4.266 5.725 -0.609 1.00 54.32 H new ATOM 0 HA LEU A 383 3.450 7.157 -2.921 1.00 1.20 H new ATOM 0 HB2 LEU A 383 5.459 4.932 -2.558 1.00 22.31 H new ATOM 0 HB3 LEU A 383 5.271 5.886 -4.015 1.00 22.31 H new ATOM 0 HG LEU A 383 6.092 6.956 -1.300 1.00 13.22 H new ATOM 0 HD11 LEU A 383 8.283 7.290 -2.375 1.00 42.51 H new ATOM 0 HD12 LEU A 383 7.815 5.573 -2.348 1.00 42.51 H new ATOM 0 HD13 LEU A 383 7.669 6.512 -3.853 1.00 42.51 H new ATOM 0 HD21 LEU A 383 6.582 9.049 -2.514 1.00 22.44 H new ATOM 0 HD22 LEU A 383 5.913 8.336 -4.002 1.00 22.44 H new ATOM 0 HD23 LEU A 383 4.856 8.625 -2.600 1.00 22.44 H new ATOM 581 N ILE A 384 2.655 3.976 -2.706 1.00 22.12 N ATOM 582 CA ILE A 384 1.781 2.945 -3.252 1.00 40.22 C ATOM 583 C ILE A 384 0.344 3.462 -3.337 1.00 23.13 C ATOM 584 O ILE A 384 -0.271 3.439 -4.399 1.00 53.20 O ATOM 585 CB ILE A 384 1.816 1.626 -2.392 1.00 51.15 C ATOM 586 CG1 ILE A 384 3.231 1.041 -2.373 1.00 1.03 C ATOM 587 CG2 ILE A 384 0.814 0.588 -2.920 1.00 3.55 C ATOM 588 CD1 ILE A 384 3.375 -0.231 -1.559 1.00 34.14 C ATOM 0 H ILE A 384 3.121 3.714 -1.837 1.00 22.12 H new ATOM 0 HA ILE A 384 2.148 2.705 -4.250 1.00 40.22 H new ATOM 0 HB ILE A 384 1.526 1.882 -1.373 1.00 51.15 H new ATOM 0 HG12 ILE A 384 3.540 0.838 -3.398 1.00 1.03 H new ATOM 0 HG13 ILE A 384 3.915 1.791 -1.976 1.00 1.03 H new ATOM 0 HG21 ILE A 384 0.863 -0.311 -2.305 1.00 3.55 H new ATOM 0 HG22 ILE A 384 -0.194 1.001 -2.879 1.00 3.55 H new ATOM 0 HG23 ILE A 384 1.061 0.336 -3.951 1.00 3.55 H new ATOM 0 HD11 ILE A 384 4.408 -0.575 -1.601 1.00 34.14 H new ATOM 0 HD12 ILE A 384 3.100 -0.033 -0.523 1.00 34.14 H new ATOM 0 HD13 ILE A 384 2.720 -1.000 -1.967 1.00 34.14 H new ATOM 600 N VAL A 385 -0.153 3.981 -2.227 1.00 32.11 N ATOM 601 CA VAL A 385 -1.538 4.434 -2.145 1.00 63.43 C ATOM 602 C VAL A 385 -1.796 5.650 -3.034 1.00 21.43 C ATOM 603 O VAL A 385 -2.897 5.852 -3.521 1.00 22.53 O ATOM 604 CB VAL A 385 -1.977 4.751 -0.679 1.00 34.21 C ATOM 605 CG1 VAL A 385 -1.669 3.614 0.220 1.00 11.35 C ATOM 606 CG2 VAL A 385 -1.345 5.990 -0.126 1.00 3.31 C ATOM 0 H VAL A 385 0.381 4.101 -1.366 1.00 32.11 H new ATOM 0 HA VAL A 385 -2.142 3.602 -2.508 1.00 63.43 H new ATOM 0 HB VAL A 385 -3.053 4.919 -0.724 1.00 34.21 H new ATOM 0 HG11 VAL A 385 -1.983 3.857 1.235 1.00 11.35 H new ATOM 0 HG12 VAL A 385 -2.201 2.726 -0.121 1.00 11.35 H new ATOM 0 HG13 VAL A 385 -0.596 3.421 0.209 1.00 11.35 H new ATOM 0 HG21 VAL A 385 -1.693 6.152 0.894 1.00 3.31 H new ATOM 0 HG22 VAL A 385 -0.261 5.877 -0.126 1.00 3.31 H new ATOM 0 HG23 VAL A 385 -1.621 6.845 -0.743 1.00 3.31 H new ATOM 616 N ASP A 386 -0.795 6.463 -3.225 1.00 41.30 N ATOM 617 CA ASP A 386 -0.968 7.654 -4.022 1.00 43.33 C ATOM 618 C ASP A 386 -0.892 7.365 -5.521 1.00 51.13 C ATOM 619 O ASP A 386 -1.589 7.997 -6.322 1.00 25.13 O ATOM 620 CB ASP A 386 -0.012 8.755 -3.594 1.00 44.02 C ATOM 621 CG ASP A 386 -0.302 10.055 -4.279 1.00 54.51 C ATOM 622 OD1 ASP A 386 -1.364 10.656 -4.000 1.00 24.21 O ATOM 623 OD2 ASP A 386 0.532 10.524 -5.066 1.00 10.21 O ATOM 0 H ASP A 386 0.142 6.329 -2.846 1.00 41.30 H new ATOM 0 HA ASP A 386 -1.978 8.020 -3.836 1.00 43.33 H new ATOM 0 HB2 ASP A 386 -0.079 8.892 -2.515 1.00 44.02 H new ATOM 0 HB3 ASP A 386 1.011 8.451 -3.814 1.00 44.02 H new ATOM 628 N SER A 387 -0.079 6.396 -5.890 1.00 43.24 N ATOM 629 CA SER A 387 0.074 6.018 -7.279 1.00 62.31 C ATOM 630 C SER A 387 -1.174 5.250 -7.763 1.00 43.12 C ATOM 631 O SER A 387 -1.551 5.318 -8.941 1.00 63.31 O ATOM 632 CB SER A 387 1.345 5.167 -7.455 1.00 43.24 C ATOM 633 OG SER A 387 1.596 4.865 -8.819 1.00 43.31 O ATOM 0 H SER A 387 0.490 5.853 -5.241 1.00 43.24 H new ATOM 0 HA SER A 387 0.175 6.918 -7.885 1.00 62.31 H new ATOM 0 HB2 SER A 387 2.199 5.700 -7.038 1.00 43.24 H new ATOM 0 HB3 SER A 387 1.242 4.240 -6.891 1.00 43.24 H new ATOM 0 HG SER A 387 1.440 3.910 -8.977 1.00 43.31 H new ATOM 639 N LEU A 388 -1.824 4.566 -6.846 1.00 23.44 N ATOM 640 CA LEU A 388 -3.013 3.787 -7.157 1.00 45.11 C ATOM 641 C LEU A 388 -4.251 4.685 -7.144 1.00 4.04 C ATOM 642 O LEU A 388 -4.279 5.708 -6.455 1.00 52.20 O ATOM 643 CB LEU A 388 -3.201 2.671 -6.125 1.00 25.33 C ATOM 644 CG LEU A 388 -2.138 1.577 -6.032 1.00 1.42 C ATOM 645 CD1 LEU A 388 -2.452 0.666 -4.855 1.00 73.12 C ATOM 646 CD2 LEU A 388 -2.098 0.757 -7.304 1.00 0.05 C ATOM 0 H LEU A 388 -1.547 4.531 -5.865 1.00 23.44 H new ATOM 0 HA LEU A 388 -2.886 3.351 -8.148 1.00 45.11 H new ATOM 0 HB2 LEU A 388 -3.283 3.138 -5.143 1.00 25.33 H new ATOM 0 HB3 LEU A 388 -4.157 2.188 -6.329 1.00 25.33 H new ATOM 0 HG LEU A 388 -1.166 2.049 -5.891 1.00 1.42 H new ATOM 0 HD11 LEU A 388 -1.695 -0.115 -4.787 1.00 73.12 H new ATOM 0 HD12 LEU A 388 -2.455 1.249 -3.934 1.00 73.12 H new ATOM 0 HD13 LEU A 388 -3.432 0.210 -4.999 1.00 73.12 H new ATOM 0 HD21 LEU A 388 -1.334 -0.016 -7.215 1.00 0.05 H new ATOM 0 HD22 LEU A 388 -3.069 0.290 -7.466 1.00 0.05 H new ATOM 0 HD23 LEU A 388 -1.862 1.405 -8.148 1.00 0.05 H new ATOM 658 N ASN A 389 -5.265 4.314 -7.896 1.00 4.24 N ATOM 659 CA ASN A 389 -6.512 5.070 -7.906 1.00 31.13 C ATOM 660 C ASN A 389 -7.385 4.598 -6.784 1.00 3.22 C ATOM 661 O ASN A 389 -7.129 3.550 -6.207 1.00 40.51 O ATOM 662 CB ASN A 389 -7.266 4.972 -9.267 1.00 73.34 C ATOM 663 CG ASN A 389 -7.696 3.576 -9.681 1.00 62.41 C ATOM 664 OD1 ASN A 389 -8.059 2.763 -8.871 1.00 32.34 O ATOM 665 ND2 ASN A 389 -7.620 3.294 -10.937 1.00 72.01 N ATOM 0 H ASN A 389 -5.257 3.498 -8.508 1.00 4.24 H new ATOM 0 HA ASN A 389 -6.264 6.122 -7.768 1.00 31.13 H new ATOM 0 HB2 ASN A 389 -8.152 5.606 -9.217 1.00 73.34 H new ATOM 0 HB3 ASN A 389 -6.624 5.381 -10.047 1.00 73.34 H new ATOM 0 HD21 ASN A 389 -7.871 2.362 -11.266 1.00 72.01 H new ATOM 0 HD22 ASN A 389 -7.309 4.003 -11.601 1.00 72.01 H new ATOM 672 N ASP A 390 -8.435 5.336 -6.508 1.00 31.13 N ATOM 673 CA ASP A 390 -9.353 5.040 -5.398 1.00 63.44 C ATOM 674 C ASP A 390 -9.950 3.638 -5.473 1.00 11.11 C ATOM 675 O ASP A 390 -10.302 3.039 -4.444 1.00 42.34 O ATOM 676 CB ASP A 390 -10.457 6.095 -5.278 1.00 62.44 C ATOM 677 CG ASP A 390 -11.371 6.192 -6.477 1.00 20.10 C ATOM 678 OD1 ASP A 390 -12.361 5.468 -6.530 1.00 64.52 O ATOM 679 OD2 ASP A 390 -11.117 7.026 -7.372 1.00 3.33 O ATOM 0 H ASP A 390 -8.690 6.167 -7.042 1.00 31.13 H new ATOM 0 HA ASP A 390 -8.745 5.076 -4.494 1.00 63.44 H new ATOM 0 HB2 ASP A 390 -11.059 5.873 -4.397 1.00 62.44 H new ATOM 0 HB3 ASP A 390 -9.994 7.068 -5.111 1.00 62.44 H new ATOM 684 N GLU A 391 -10.052 3.119 -6.669 1.00 35.42 N ATOM 685 CA GLU A 391 -10.625 1.839 -6.909 1.00 13.14 C ATOM 686 C GLU A 391 -9.610 0.746 -6.520 1.00 42.40 C ATOM 687 O GLU A 391 -9.948 -0.259 -5.882 1.00 62.04 O ATOM 688 CB GLU A 391 -11.006 1.733 -8.371 1.00 53.41 C ATOM 689 CG GLU A 391 -11.730 0.477 -8.727 1.00 3.40 C ATOM 690 CD GLU A 391 -13.139 0.403 -8.160 1.00 52.33 C ATOM 691 OE1 GLU A 391 -14.086 0.858 -8.853 1.00 34.31 O ATOM 692 OE2 GLU A 391 -13.332 -0.114 -7.031 1.00 54.31 O ATOM 0 H GLU A 391 -9.730 3.591 -7.514 1.00 35.42 H new ATOM 0 HA GLU A 391 -11.523 1.705 -6.305 1.00 13.14 H new ATOM 0 HB2 GLU A 391 -11.631 2.586 -8.634 1.00 53.41 H new ATOM 0 HB3 GLU A 391 -10.102 1.801 -8.976 1.00 53.41 H new ATOM 0 HG2 GLU A 391 -11.780 0.392 -9.813 1.00 3.40 H new ATOM 0 HG3 GLU A 391 -11.157 -0.377 -8.366 1.00 3.40 H new ATOM 699 N GLU A 392 -8.370 0.968 -6.912 1.00 23.32 N ATOM 700 CA GLU A 392 -7.257 0.103 -6.574 1.00 72.52 C ATOM 701 C GLU A 392 -7.038 0.117 -5.072 1.00 71.32 C ATOM 702 O GLU A 392 -6.777 -0.917 -4.463 1.00 4.42 O ATOM 703 CB GLU A 392 -5.974 0.594 -7.270 1.00 32.34 C ATOM 704 CG GLU A 392 -5.964 0.509 -8.778 1.00 50.21 C ATOM 705 CD GLU A 392 -6.052 -0.890 -9.299 1.00 54.54 C ATOM 706 OE1 GLU A 392 -7.174 -1.385 -9.518 1.00 32.24 O ATOM 707 OE2 GLU A 392 -5.004 -1.508 -9.542 1.00 21.34 O ATOM 0 H GLU A 392 -8.104 1.769 -7.485 1.00 23.32 H new ATOM 0 HA GLU A 392 -7.486 -0.909 -6.907 1.00 72.52 H new ATOM 0 HB2 GLU A 392 -5.803 1.632 -6.983 1.00 32.34 H new ATOM 0 HB3 GLU A 392 -5.133 0.015 -6.888 1.00 32.34 H new ATOM 0 HG2 GLU A 392 -6.800 1.088 -9.172 1.00 50.21 H new ATOM 0 HG3 GLU A 392 -5.051 0.971 -9.154 1.00 50.21 H new ATOM 714 N LEU A 393 -7.180 1.311 -4.482 1.00 63.43 N ATOM 715 CA LEU A 393 -6.962 1.519 -3.050 1.00 53.23 C ATOM 716 C LEU A 393 -7.865 0.643 -2.232 1.00 41.31 C ATOM 717 O LEU A 393 -7.414 -0.073 -1.346 1.00 53.30 O ATOM 718 CB LEU A 393 -7.226 2.975 -2.643 1.00 35.11 C ATOM 719 CG LEU A 393 -6.526 4.037 -3.447 1.00 23.22 C ATOM 720 CD1 LEU A 393 -6.731 5.407 -2.869 1.00 3.25 C ATOM 721 CD2 LEU A 393 -5.087 3.720 -3.614 1.00 3.43 C ATOM 0 H LEU A 393 -7.449 2.157 -4.985 1.00 63.43 H new ATOM 0 HA LEU A 393 -5.919 1.267 -2.860 1.00 53.23 H new ATOM 0 HB2 LEU A 393 -8.299 3.156 -2.701 1.00 35.11 H new ATOM 0 HB3 LEU A 393 -6.939 3.094 -1.598 1.00 35.11 H new ATOM 0 HG LEU A 393 -6.979 4.045 -4.438 1.00 23.22 H new ATOM 0 HD11 LEU A 393 -6.208 6.142 -3.481 1.00 3.25 H new ATOM 0 HD12 LEU A 393 -7.796 5.639 -2.853 1.00 3.25 H new ATOM 0 HD13 LEU A 393 -6.338 5.436 -1.853 1.00 3.25 H new ATOM 0 HD21 LEU A 393 -4.607 4.505 -4.199 1.00 3.43 H new ATOM 0 HD22 LEU A 393 -4.613 3.656 -2.635 1.00 3.43 H new ATOM 0 HD23 LEU A 393 -4.982 2.766 -4.131 1.00 3.43 H new ATOM 733 N VAL A 394 -9.150 0.693 -2.533 1.00 55.21 N ATOM 734 CA VAL A 394 -10.112 -0.061 -1.797 1.00 3.13 C ATOM 735 C VAL A 394 -9.904 -1.542 -2.035 1.00 30.42 C ATOM 736 O VAL A 394 -10.138 -2.360 -1.157 1.00 1.22 O ATOM 737 CB VAL A 394 -11.554 0.364 -2.145 1.00 63.31 C ATOM 738 CG1 VAL A 394 -12.005 -0.056 -3.536 1.00 1.15 C ATOM 739 CG2 VAL A 394 -12.526 -0.030 -1.073 1.00 23.40 C ATOM 0 H VAL A 394 -9.540 1.256 -3.289 1.00 55.21 H new ATOM 0 HA VAL A 394 -9.967 0.144 -0.736 1.00 3.13 H new ATOM 0 HB VAL A 394 -11.541 1.453 -2.180 1.00 63.31 H new ATOM 0 HG11 VAL A 394 -13.028 0.280 -3.704 1.00 1.15 H new ATOM 0 HG12 VAL A 394 -11.349 0.393 -4.282 1.00 1.15 H new ATOM 0 HG13 VAL A 394 -11.961 -1.142 -3.620 1.00 1.15 H new ATOM 0 HG21 VAL A 394 -13.529 0.288 -1.357 1.00 23.40 H new ATOM 0 HG22 VAL A 394 -12.510 -1.113 -0.947 1.00 23.40 H new ATOM 0 HG23 VAL A 394 -12.246 0.448 -0.134 1.00 23.40 H new ATOM 749 N SER A 395 -9.451 -1.863 -3.220 1.00 43.32 N ATOM 750 CA SER A 395 -9.177 -3.226 -3.583 1.00 74.30 C ATOM 751 C SER A 395 -8.051 -3.802 -2.707 1.00 53.30 C ATOM 752 O SER A 395 -8.230 -4.856 -2.090 1.00 50.22 O ATOM 753 CB SER A 395 -8.844 -3.349 -5.078 1.00 65.23 C ATOM 754 OG SER A 395 -8.716 -4.707 -5.474 1.00 43.25 O ATOM 0 H SER A 395 -9.262 -1.186 -3.959 1.00 43.32 H new ATOM 0 HA SER A 395 -10.078 -3.813 -3.404 1.00 74.30 H new ATOM 0 HB2 SER A 395 -9.626 -2.870 -5.666 1.00 65.23 H new ATOM 0 HB3 SER A 395 -7.916 -2.818 -5.290 1.00 65.23 H new ATOM 0 HG SER A 395 -8.506 -4.750 -6.430 1.00 43.25 H new ATOM 760 N THR A 396 -6.917 -3.099 -2.617 1.00 34.33 N ATOM 761 CA THR A 396 -5.824 -3.552 -1.786 1.00 13.32 C ATOM 762 C THR A 396 -6.223 -3.514 -0.325 1.00 23.22 C ATOM 763 O THR A 396 -5.912 -4.419 0.434 1.00 52.21 O ATOM 764 CB THR A 396 -4.539 -2.723 -2.017 1.00 51.54 C ATOM 765 OG1 THR A 396 -4.834 -1.325 -1.976 1.00 4.25 O ATOM 766 CG2 THR A 396 -3.878 -3.079 -3.335 1.00 51.31 C ATOM 0 H THR A 396 -6.744 -2.223 -3.109 1.00 34.33 H new ATOM 0 HA THR A 396 -5.602 -4.581 -2.069 1.00 13.32 H new ATOM 0 HB THR A 396 -3.841 -2.964 -1.215 1.00 51.54 H new ATOM 0 HG1 THR A 396 -5.780 -1.197 -1.755 1.00 4.25 H new ATOM 0 HG21 THR A 396 -2.978 -2.478 -3.465 1.00 51.31 H new ATOM 0 HG22 THR A 396 -3.611 -4.136 -3.334 1.00 51.31 H new ATOM 0 HG23 THR A 396 -4.569 -2.880 -4.154 1.00 51.31 H new ATOM 774 N ALA A 397 -6.946 -2.479 0.042 1.00 72.14 N ATOM 775 CA ALA A 397 -7.436 -2.319 1.410 1.00 5.20 C ATOM 776 C ALA A 397 -8.310 -3.500 1.815 1.00 73.10 C ATOM 777 O ALA A 397 -8.144 -4.049 2.890 1.00 11.14 O ATOM 778 CB ALA A 397 -8.199 -1.015 1.578 1.00 40.51 C ATOM 0 H ALA A 397 -7.214 -1.724 -0.589 1.00 72.14 H new ATOM 0 HA ALA A 397 -6.567 -2.288 2.067 1.00 5.20 H new ATOM 0 HB1 ALA A 397 -8.549 -0.928 2.607 1.00 40.51 H new ATOM 0 HB2 ALA A 397 -7.542 -0.177 1.346 1.00 40.51 H new ATOM 0 HB3 ALA A 397 -9.054 -1.004 0.902 1.00 40.51 H new ATOM 784 N ASP A 398 -9.215 -3.899 0.930 1.00 13.42 N ATOM 785 CA ASP A 398 -10.120 -5.035 1.174 1.00 52.41 C ATOM 786 C ASP A 398 -9.318 -6.307 1.425 1.00 52.51 C ATOM 787 O ASP A 398 -9.669 -7.128 2.286 1.00 33.13 O ATOM 788 CB ASP A 398 -11.052 -5.239 -0.025 1.00 52.25 C ATOM 789 CG ASP A 398 -12.065 -6.338 0.197 1.00 31.02 C ATOM 790 OD1 ASP A 398 -13.152 -6.045 0.742 1.00 2.11 O ATOM 791 OD2 ASP A 398 -11.801 -7.498 -0.172 1.00 22.21 O ATOM 0 H ASP A 398 -9.349 -3.451 0.023 1.00 13.42 H new ATOM 0 HA ASP A 398 -10.720 -4.814 2.057 1.00 52.41 H new ATOM 0 HB2 ASP A 398 -11.576 -4.306 -0.234 1.00 52.25 H new ATOM 0 HB3 ASP A 398 -10.455 -5.474 -0.906 1.00 52.25 H new ATOM 796 N LYS A 399 -8.222 -6.443 0.689 1.00 45.13 N ATOM 797 CA LYS A 399 -7.322 -7.584 0.827 1.00 62.21 C ATOM 798 C LYS A 399 -6.669 -7.557 2.213 1.00 32.05 C ATOM 799 O LYS A 399 -6.440 -8.595 2.812 1.00 23.32 O ATOM 800 CB LYS A 399 -6.220 -7.548 -0.250 1.00 34.43 C ATOM 801 CG LYS A 399 -6.657 -7.497 -1.737 1.00 1.53 C ATOM 802 CD LYS A 399 -7.262 -8.800 -2.304 1.00 11.03 C ATOM 803 CE LYS A 399 -8.625 -9.168 -1.732 1.00 51.23 C ATOM 804 NZ LYS A 399 -9.175 -10.370 -2.381 1.00 22.32 N ATOM 0 H LYS A 399 -7.931 -5.768 -0.019 1.00 45.13 H new ATOM 0 HA LYS A 399 -7.904 -8.497 0.704 1.00 62.21 H new ATOM 0 HB2 LYS A 399 -5.592 -6.678 -0.056 1.00 34.43 H new ATOM 0 HB3 LYS A 399 -5.593 -8.430 -0.116 1.00 34.43 H new ATOM 0 HG2 LYS A 399 -7.389 -6.698 -1.854 1.00 1.53 H new ATOM 0 HG3 LYS A 399 -5.791 -7.227 -2.342 1.00 1.53 H new ATOM 0 HD2 LYS A 399 -7.351 -8.703 -3.386 1.00 11.03 H new ATOM 0 HD3 LYS A 399 -6.569 -9.620 -2.113 1.00 11.03 H new ATOM 0 HE2 LYS A 399 -8.536 -9.341 -0.659 1.00 51.23 H new ATOM 0 HE3 LYS A 399 -9.314 -8.334 -1.865 1.00 51.23 H new ATOM 0 HZ1 LYS A 399 -10.103 -10.593 -1.969 1.00 22.32 H new ATOM 0 HZ2 LYS A 399 -9.282 -10.196 -3.401 1.00 22.32 H new ATOM 0 HZ3 LYS A 399 -8.529 -11.171 -2.233 1.00 22.32 H new ATOM 818 N ILE A 400 -6.402 -6.358 2.710 1.00 75.14 N ATOM 819 CA ILE A 400 -5.779 -6.159 4.021 1.00 65.24 C ATOM 820 C ILE A 400 -6.743 -6.555 5.158 1.00 43.32 C ATOM 821 O ILE A 400 -6.333 -6.984 6.216 1.00 12.14 O ATOM 822 CB ILE A 400 -5.285 -4.701 4.214 1.00 1.11 C ATOM 823 CG1 ILE A 400 -4.314 -4.327 3.085 1.00 52.14 C ATOM 824 CG2 ILE A 400 -4.591 -4.564 5.565 1.00 33.13 C ATOM 825 CD1 ILE A 400 -3.842 -2.888 3.108 1.00 42.43 C ATOM 0 H ILE A 400 -6.610 -5.489 2.218 1.00 75.14 H new ATOM 0 HA ILE A 400 -4.907 -6.811 4.061 1.00 65.24 H new ATOM 0 HB ILE A 400 -6.141 -4.026 4.185 1.00 1.11 H new ATOM 0 HG12 ILE A 400 -3.444 -4.982 3.140 1.00 52.14 H new ATOM 0 HG13 ILE A 400 -4.799 -4.521 2.128 1.00 52.14 H new ATOM 0 HG21 ILE A 400 -4.246 -3.538 5.695 1.00 33.13 H new ATOM 0 HG22 ILE A 400 -5.292 -4.815 6.361 1.00 33.13 H new ATOM 0 HG23 ILE A 400 -3.738 -5.241 5.606 1.00 33.13 H new ATOM 0 HD11 ILE A 400 -3.161 -2.715 2.275 1.00 42.43 H new ATOM 0 HD12 ILE A 400 -4.700 -2.222 3.019 1.00 42.43 H new ATOM 0 HD13 ILE A 400 -3.325 -2.690 4.047 1.00 42.43 H new ATOM 837 N LYS A 401 -8.018 -6.373 4.949 1.00 1.32 N ATOM 838 CA LYS A 401 -8.992 -6.819 5.951 1.00 51.45 C ATOM 839 C LYS A 401 -9.092 -8.335 5.962 1.00 21.00 C ATOM 840 O LYS A 401 -9.363 -8.954 6.999 1.00 65.20 O ATOM 841 CB LYS A 401 -10.365 -6.169 5.773 1.00 51.44 C ATOM 842 CG LYS A 401 -10.460 -4.714 6.253 1.00 44.31 C ATOM 843 CD LYS A 401 -9.529 -3.792 5.498 1.00 1.52 C ATOM 844 CE LYS A 401 -9.570 -2.372 6.036 1.00 52.22 C ATOM 845 NZ LYS A 401 -9.086 -2.287 7.441 1.00 24.02 N ATOM 0 H LYS A 401 -8.416 -5.932 4.120 1.00 1.32 H new ATOM 0 HA LYS A 401 -8.625 -6.489 6.923 1.00 51.45 H new ATOM 0 HB2 LYS A 401 -10.634 -6.206 4.717 1.00 51.44 H new ATOM 0 HB3 LYS A 401 -11.104 -6.763 6.311 1.00 51.44 H new ATOM 0 HG2 LYS A 401 -11.486 -4.363 6.138 1.00 44.31 H new ATOM 0 HG3 LYS A 401 -10.226 -4.670 7.317 1.00 44.31 H new ATOM 0 HD2 LYS A 401 -8.510 -4.174 5.562 1.00 1.52 H new ATOM 0 HD3 LYS A 401 -9.802 -3.787 4.443 1.00 1.52 H new ATOM 0 HE2 LYS A 401 -8.959 -1.728 5.404 1.00 52.22 H new ATOM 0 HE3 LYS A 401 -10.591 -1.995 5.982 1.00 52.22 H new ATOM 0 HZ1 LYS A 401 -8.907 -1.293 7.687 1.00 24.02 H new ATOM 0 HZ2 LYS A 401 -9.807 -2.677 8.081 1.00 24.02 H new ATOM 0 HZ3 LYS A 401 -8.206 -2.832 7.538 1.00 24.02 H new ATOM 859 N ALA A 402 -8.847 -8.927 4.814 1.00 60.50 N ATOM 860 CA ALA A 402 -8.832 -10.366 4.690 1.00 22.22 C ATOM 861 C ALA A 402 -7.533 -10.902 5.270 1.00 12.43 C ATOM 862 O ALA A 402 -7.506 -11.944 5.927 1.00 33.33 O ATOM 863 CB ALA A 402 -8.967 -10.766 3.242 1.00 3.13 C ATOM 0 H ALA A 402 -8.654 -8.428 3.946 1.00 60.50 H new ATOM 0 HA ALA A 402 -9.673 -10.788 5.239 1.00 22.22 H new ATOM 0 HB1 ALA A 402 -8.954 -11.853 3.162 1.00 3.13 H new ATOM 0 HB2 ALA A 402 -9.908 -10.384 2.845 1.00 3.13 H new ATOM 0 HB3 ALA A 402 -8.137 -10.351 2.671 1.00 3.13 H new ATOM 869 N ASN A 403 -6.475 -10.166 5.049 1.00 0.03 N ATOM 870 CA ASN A 403 -5.157 -10.504 5.557 1.00 15.14 C ATOM 871 C ASN A 403 -4.570 -9.373 6.308 1.00 73.25 C ATOM 872 O ASN A 403 -3.846 -8.549 5.752 1.00 14.02 O ATOM 873 CB ASN A 403 -4.192 -10.977 4.468 1.00 41.21 C ATOM 874 CG ASN A 403 -4.467 -12.375 4.012 1.00 52.11 C ATOM 875 OD1 ASN A 403 -5.249 -12.611 3.086 1.00 21.22 O ATOM 876 ND2 ASN A 403 -3.828 -13.319 4.656 1.00 31.04 N ATOM 0 H ASN A 403 -6.497 -9.303 4.505 1.00 0.03 H new ATOM 0 HA ASN A 403 -5.304 -11.345 6.234 1.00 15.14 H new ATOM 0 HB2 ASN A 403 -4.257 -10.303 3.614 1.00 41.21 H new ATOM 0 HB3 ASN A 403 -3.171 -10.917 4.844 1.00 41.21 H new ATOM 0 HD21 ASN A 403 -3.967 -14.296 4.399 1.00 31.04 H new ATOM 0 HD22 ASN A 403 -3.191 -13.077 5.415 1.00 31.04 H new ATOM 883 N ALA A 404 -4.921 -9.300 7.569 1.00 23.31 N ATOM 884 CA ALA A 404 -4.458 -8.246 8.435 1.00 73.30 C ATOM 885 C ALA A 404 -2.972 -8.362 8.626 1.00 52.13 C ATOM 886 O ALA A 404 -2.256 -7.383 8.558 1.00 30.05 O ATOM 887 CB ALA A 404 -5.182 -8.292 9.773 1.00 21.44 C ATOM 0 H ALA A 404 -5.538 -9.973 8.024 1.00 23.31 H new ATOM 0 HA ALA A 404 -4.678 -7.285 7.971 1.00 73.30 H new ATOM 0 HB1 ALA A 404 -4.817 -7.488 10.412 1.00 21.44 H new ATOM 0 HB2 ALA A 404 -6.253 -8.170 9.612 1.00 21.44 H new ATOM 0 HB3 ALA A 404 -4.995 -9.251 10.255 1.00 21.44 H new ATOM 893 N ALA A 405 -2.520 -9.587 8.835 1.00 51.20 N ATOM 894 CA ALA A 405 -1.117 -9.874 9.045 1.00 34.31 C ATOM 895 C ALA A 405 -0.369 -9.967 7.726 1.00 32.10 C ATOM 896 O ALA A 405 0.839 -9.789 7.681 1.00 44.31 O ATOM 897 CB ALA A 405 -0.950 -11.154 9.831 1.00 4.53 C ATOM 0 H ALA A 405 -3.120 -10.411 8.863 1.00 51.20 H new ATOM 0 HA ALA A 405 -0.692 -9.050 9.618 1.00 34.31 H new ATOM 0 HB1 ALA A 405 0.111 -11.354 9.979 1.00 4.53 H new ATOM 0 HB2 ALA A 405 -1.439 -11.052 10.800 1.00 4.53 H new ATOM 0 HB3 ALA A 405 -1.401 -11.980 9.281 1.00 4.53 H new ATOM 903 N GLY A 406 -1.096 -10.216 6.643 1.00 21.12 N ATOM 904 CA GLY A 406 -0.496 -10.323 5.358 1.00 30.25 C ATOM 905 C GLY A 406 -0.523 -9.001 4.666 1.00 21.14 C ATOM 906 O GLY A 406 -0.796 -8.915 3.486 1.00 12.44 O ATOM 0 H GLY A 406 -2.108 -10.345 6.651 1.00 21.12 H new ATOM 0 HA2 GLY A 406 0.533 -10.669 5.456 1.00 30.25 H new ATOM 0 HA3 GLY A 406 -1.026 -11.065 4.761 1.00 30.25 H new ATOM 910 N ALA A 407 -0.248 -7.957 5.415 1.00 51.24 N ATOM 911 CA ALA A 407 -0.209 -6.626 4.879 1.00 30.14 C ATOM 912 C ALA A 407 0.853 -6.552 3.813 1.00 44.14 C ATOM 913 O ALA A 407 0.663 -5.925 2.781 1.00 2.21 O ATOM 914 CB ALA A 407 0.062 -5.628 5.975 1.00 21.24 C ATOM 0 H ALA A 407 -0.046 -8.013 6.413 1.00 51.24 H new ATOM 0 HA ALA A 407 -1.175 -6.383 4.436 1.00 30.14 H new ATOM 0 HB1 ALA A 407 0.089 -4.623 5.554 1.00 21.24 H new ATOM 0 HB2 ALA A 407 -0.728 -5.687 6.724 1.00 21.24 H new ATOM 0 HB3 ALA A 407 1.021 -5.851 6.441 1.00 21.24 H new ATOM 920 N LYS A 408 1.959 -7.246 4.032 1.00 52.20 N ATOM 921 CA LYS A 408 3.009 -7.259 3.052 1.00 44.31 C ATOM 922 C LYS A 408 2.578 -7.919 1.771 1.00 52.14 C ATOM 923 O LYS A 408 2.920 -7.446 0.714 1.00 72.02 O ATOM 924 CB LYS A 408 4.272 -7.909 3.569 1.00 64.24 C ATOM 925 CG LYS A 408 5.080 -7.072 4.529 1.00 34.15 C ATOM 926 CD LYS A 408 6.280 -7.830 5.091 1.00 52.13 C ATOM 927 CE LYS A 408 7.281 -8.223 4.026 1.00 52.53 C ATOM 928 NZ LYS A 408 8.423 -8.959 4.607 1.00 24.53 N ATOM 0 H LYS A 408 2.142 -7.797 4.870 1.00 52.20 H new ATOM 0 HA LYS A 408 3.231 -6.213 2.842 1.00 44.31 H new ATOM 0 HB2 LYS A 408 4.004 -8.843 4.063 1.00 64.24 H new ATOM 0 HB3 LYS A 408 4.903 -8.168 2.718 1.00 64.24 H new ATOM 0 HG2 LYS A 408 5.427 -6.173 4.020 1.00 34.15 H new ATOM 0 HG3 LYS A 408 4.441 -6.747 5.350 1.00 34.15 H new ATOM 0 HD2 LYS A 408 6.777 -7.211 5.838 1.00 52.13 H new ATOM 0 HD3 LYS A 408 5.930 -8.727 5.602 1.00 52.13 H new ATOM 0 HE2 LYS A 408 6.791 -8.842 3.274 1.00 52.53 H new ATOM 0 HE3 LYS A 408 7.643 -7.330 3.517 1.00 52.53 H new ATOM 0 HZ1 LYS A 408 9.091 -9.214 3.852 1.00 24.53 H new ATOM 0 HZ2 LYS A 408 8.904 -8.358 5.306 1.00 24.53 H new ATOM 0 HZ3 LYS A 408 8.079 -9.823 5.072 1.00 24.53 H new ATOM 942 N GLU A 409 1.785 -8.983 1.864 1.00 63.45 N ATOM 943 CA GLU A 409 1.405 -9.740 0.673 1.00 64.50 C ATOM 944 C GLU A 409 0.614 -8.842 -0.278 1.00 2.15 C ATOM 945 O GLU A 409 0.754 -8.926 -1.500 1.00 34.23 O ATOM 946 CB GLU A 409 0.649 -11.068 1.063 1.00 34.44 C ATOM 947 CG GLU A 409 -0.852 -10.977 1.396 1.00 54.43 C ATOM 948 CD GLU A 409 -1.763 -11.167 0.185 1.00 30.12 C ATOM 949 OE1 GLU A 409 -1.966 -10.229 -0.586 1.00 41.33 O ATOM 950 OE2 GLU A 409 -2.280 -12.297 -0.015 1.00 63.21 O ATOM 0 H GLU A 409 1.397 -9.338 2.738 1.00 63.45 H new ATOM 0 HA GLU A 409 2.300 -10.060 0.139 1.00 64.50 H new ATOM 0 HB2 GLU A 409 0.766 -11.772 0.239 1.00 34.44 H new ATOM 0 HB3 GLU A 409 1.156 -11.500 1.926 1.00 34.44 H new ATOM 0 HG2 GLU A 409 -1.095 -11.731 2.144 1.00 54.43 H new ATOM 0 HG3 GLU A 409 -1.057 -10.005 1.845 1.00 54.43 H new ATOM 957 N VAL A 410 -0.150 -7.942 0.304 1.00 72.23 N ATOM 958 CA VAL A 410 -0.977 -7.029 -0.453 1.00 60.10 C ATOM 959 C VAL A 410 -0.129 -5.888 -1.016 1.00 3.31 C ATOM 960 O VAL A 410 -0.165 -5.584 -2.216 1.00 10.44 O ATOM 961 CB VAL A 410 -2.099 -6.432 0.424 1.00 33.45 C ATOM 962 CG1 VAL A 410 -3.002 -5.548 -0.404 1.00 41.41 C ATOM 963 CG2 VAL A 410 -2.895 -7.526 1.119 1.00 40.10 C ATOM 0 H VAL A 410 -0.215 -7.823 1.315 1.00 72.23 H new ATOM 0 HA VAL A 410 -1.428 -7.594 -1.269 1.00 60.10 H new ATOM 0 HB VAL A 410 -1.636 -5.820 1.198 1.00 33.45 H new ATOM 0 HG11 VAL A 410 -3.787 -5.135 0.229 1.00 41.41 H new ATOM 0 HG12 VAL A 410 -2.419 -4.735 -0.835 1.00 41.41 H new ATOM 0 HG13 VAL A 410 -3.452 -6.136 -1.204 1.00 41.41 H new ATOM 0 HG21 VAL A 410 -3.678 -7.075 1.729 1.00 40.10 H new ATOM 0 HG22 VAL A 410 -3.348 -8.177 0.371 1.00 40.10 H new ATOM 0 HG23 VAL A 410 -2.231 -8.111 1.755 1.00 40.10 H new ATOM 973 N LEU A 411 0.625 -5.263 -0.144 1.00 31.24 N ATOM 974 CA LEU A 411 1.480 -4.146 -0.500 1.00 25.10 C ATOM 975 C LEU A 411 2.574 -4.525 -1.499 1.00 45.11 C ATOM 976 O LEU A 411 2.890 -3.753 -2.391 1.00 3.50 O ATOM 977 CB LEU A 411 2.033 -3.463 0.751 1.00 64.33 C ATOM 978 CG LEU A 411 1.057 -2.533 1.527 1.00 43.53 C ATOM 979 CD1 LEU A 411 -0.242 -3.216 1.922 1.00 45.42 C ATOM 980 CD2 LEU A 411 1.732 -1.965 2.748 1.00 74.35 C ATOM 0 H LEU A 411 0.666 -5.515 0.844 1.00 31.24 H new ATOM 0 HA LEU A 411 0.859 -3.419 -1.023 1.00 25.10 H new ATOM 0 HB2 LEU A 411 2.382 -4.236 1.435 1.00 64.33 H new ATOM 0 HB3 LEU A 411 2.905 -2.876 0.461 1.00 64.33 H new ATOM 0 HG LEU A 411 0.792 -1.729 0.841 1.00 43.53 H new ATOM 0 HD11 LEU A 411 -0.875 -2.510 2.460 1.00 45.42 H new ATOM 0 HD12 LEU A 411 -0.760 -3.559 1.026 1.00 45.42 H new ATOM 0 HD13 LEU A 411 -0.024 -4.069 2.564 1.00 45.42 H new ATOM 0 HD21 LEU A 411 1.036 -1.316 3.280 1.00 74.35 H new ATOM 0 HD22 LEU A 411 2.043 -2.779 3.403 1.00 74.35 H new ATOM 0 HD23 LEU A 411 2.606 -1.388 2.445 1.00 74.35 H new ATOM 992 N LYS A 412 3.133 -5.713 -1.366 1.00 74.30 N ATOM 993 CA LYS A 412 4.114 -6.195 -2.325 1.00 23.43 C ATOM 994 C LYS A 412 3.478 -6.414 -3.683 1.00 74.53 C ATOM 995 O LYS A 412 4.132 -6.241 -4.714 1.00 64.24 O ATOM 996 CB LYS A 412 4.770 -7.495 -1.861 1.00 54.11 C ATOM 997 CG LYS A 412 5.581 -7.384 -0.584 1.00 44.41 C ATOM 998 CD LYS A 412 6.169 -8.738 -0.184 1.00 21.32 C ATOM 999 CE LYS A 412 7.045 -9.337 -1.282 1.00 62.54 C ATOM 1000 NZ LYS A 412 7.629 -10.641 -0.882 1.00 52.33 N ATOM 0 H LYS A 412 2.927 -6.362 -0.606 1.00 74.30 H new ATOM 0 HA LYS A 412 4.884 -5.427 -2.403 1.00 23.43 H new ATOM 0 HB2 LYS A 412 3.992 -8.245 -1.716 1.00 54.11 H new ATOM 0 HB3 LYS A 412 5.420 -7.860 -2.656 1.00 54.11 H new ATOM 0 HG2 LYS A 412 6.385 -6.662 -0.722 1.00 44.41 H new ATOM 0 HG3 LYS A 412 4.949 -7.007 0.220 1.00 44.41 H new ATOM 0 HD2 LYS A 412 6.759 -8.621 0.725 1.00 21.32 H new ATOM 0 HD3 LYS A 412 5.359 -9.429 0.049 1.00 21.32 H new ATOM 0 HE2 LYS A 412 6.452 -9.468 -2.187 1.00 62.54 H new ATOM 0 HE3 LYS A 412 7.847 -8.640 -1.525 1.00 62.54 H new ATOM 0 HZ1 LYS A 412 8.216 -11.011 -1.657 1.00 52.33 H new ATOM 0 HZ2 LYS A 412 8.217 -10.513 -0.034 1.00 52.33 H new ATOM 0 HZ3 LYS A 412 6.864 -11.315 -0.675 1.00 52.33 H new ATOM 1014 N GLU A 413 2.199 -6.764 -3.687 1.00 31.30 N ATOM 1015 CA GLU A 413 1.523 -7.125 -4.897 1.00 33.33 C ATOM 1016 C GLU A 413 1.209 -5.837 -5.651 1.00 3.13 C ATOM 1017 O GLU A 413 1.441 -5.726 -6.858 1.00 73.21 O ATOM 1018 CB GLU A 413 0.247 -7.889 -4.509 1.00 54.12 C ATOM 1019 CG GLU A 413 -0.435 -8.711 -5.598 1.00 25.21 C ATOM 1020 CD GLU A 413 -0.894 -7.925 -6.787 1.00 50.42 C ATOM 1021 OE1 GLU A 413 -1.689 -6.998 -6.612 1.00 25.21 O ATOM 1022 OE2 GLU A 413 -0.498 -8.259 -7.919 1.00 63.21 O ATOM 0 H GLU A 413 1.616 -6.801 -2.851 1.00 31.30 H new ATOM 0 HA GLU A 413 2.126 -7.765 -5.541 1.00 33.33 H new ATOM 0 HB2 GLU A 413 0.492 -8.559 -3.685 1.00 54.12 H new ATOM 0 HB3 GLU A 413 -0.476 -7.167 -4.129 1.00 54.12 H new ATOM 0 HG2 GLU A 413 0.256 -9.483 -5.936 1.00 25.21 H new ATOM 0 HG3 GLU A 413 -1.295 -9.220 -5.163 1.00 25.21 H new ATOM 1029 N SER A 414 0.730 -4.854 -4.922 1.00 13.30 N ATOM 1030 CA SER A 414 0.406 -3.585 -5.488 1.00 51.13 C ATOM 1031 C SER A 414 1.660 -2.840 -5.945 1.00 4.13 C ATOM 1032 O SER A 414 1.677 -2.282 -7.032 1.00 53.15 O ATOM 1033 CB SER A 414 -0.434 -2.784 -4.506 1.00 3.21 C ATOM 1034 OG SER A 414 0.140 -2.819 -3.210 1.00 63.32 O ATOM 0 H SER A 414 0.558 -4.923 -3.919 1.00 13.30 H new ATOM 0 HA SER A 414 -0.192 -3.736 -6.387 1.00 51.13 H new ATOM 0 HB2 SER A 414 -0.514 -1.751 -4.846 1.00 3.21 H new ATOM 0 HB3 SER A 414 -1.446 -3.188 -4.472 1.00 3.21 H new ATOM 0 HG SER A 414 1.051 -3.176 -3.265 1.00 63.32 H new ATOM 1040 N ALA A 415 2.719 -2.877 -5.124 1.00 51.02 N ATOM 1041 CA ALA A 415 4.009 -2.266 -5.475 1.00 13.23 C ATOM 1042 C ALA A 415 4.519 -2.832 -6.784 1.00 54.23 C ATOM 1043 O ALA A 415 4.910 -2.091 -7.685 1.00 20.44 O ATOM 1044 CB ALA A 415 5.026 -2.538 -4.393 1.00 51.31 C ATOM 0 H ALA A 415 2.707 -3.326 -4.208 1.00 51.02 H new ATOM 0 HA ALA A 415 3.862 -1.191 -5.576 1.00 13.23 H new ATOM 0 HB1 ALA A 415 5.977 -2.080 -4.665 1.00 51.31 H new ATOM 0 HB2 ALA A 415 4.676 -2.116 -3.451 1.00 51.31 H new ATOM 0 HB3 ALA A 415 5.160 -3.614 -4.282 1.00 51.31 H new ATOM 1050 N LYS A 416 4.490 -4.155 -6.884 1.00 21.24 N ATOM 1051 CA LYS A 416 4.912 -4.858 -8.080 1.00 55.11 C ATOM 1052 C LYS A 416 4.077 -4.399 -9.269 1.00 3.32 C ATOM 1053 O LYS A 416 4.611 -4.089 -10.326 1.00 75.15 O ATOM 1054 CB LYS A 416 4.762 -6.368 -7.869 1.00 51.43 C ATOM 1055 CG LYS A 416 5.110 -7.225 -9.071 1.00 23.44 C ATOM 1056 CD LYS A 416 6.557 -7.077 -9.497 1.00 53.53 C ATOM 1057 CE LYS A 416 6.821 -7.916 -10.725 1.00 43.15 C ATOM 1058 NZ LYS A 416 8.217 -7.814 -11.203 1.00 21.24 N ATOM 0 H LYS A 416 4.172 -4.769 -6.134 1.00 21.24 H new ATOM 0 HA LYS A 416 5.959 -4.635 -8.284 1.00 55.11 H new ATOM 0 HB2 LYS A 416 5.396 -6.667 -7.034 1.00 51.43 H new ATOM 0 HB3 LYS A 416 3.732 -6.578 -7.579 1.00 51.43 H new ATOM 0 HG2 LYS A 416 4.910 -8.271 -8.837 1.00 23.44 H new ATOM 0 HG3 LYS A 416 4.461 -6.955 -9.904 1.00 23.44 H new ATOM 0 HD2 LYS A 416 6.778 -6.030 -9.707 1.00 53.53 H new ATOM 0 HD3 LYS A 416 7.217 -7.386 -8.686 1.00 53.53 H new ATOM 0 HE2 LYS A 416 6.594 -8.959 -10.502 1.00 43.15 H new ATOM 0 HE3 LYS A 416 6.146 -7.606 -11.523 1.00 43.15 H new ATOM 0 HZ1 LYS A 416 8.340 -8.410 -12.047 1.00 21.24 H new ATOM 0 HZ2 LYS A 416 8.430 -6.825 -11.444 1.00 21.24 H new ATOM 0 HZ3 LYS A 416 8.864 -8.135 -10.455 1.00 21.24 H new ATOM 1072 N THR A 417 2.782 -4.329 -9.063 1.00 23.05 N ATOM 1073 CA THR A 417 1.846 -3.883 -10.085 1.00 55.13 C ATOM 1074 C THR A 417 2.146 -2.422 -10.519 1.00 74.21 C ATOM 1075 O THR A 417 2.101 -2.095 -11.701 1.00 74.21 O ATOM 1076 CB THR A 417 0.389 -4.018 -9.575 1.00 70.35 C ATOM 1077 OG1 THR A 417 0.147 -5.390 -9.216 1.00 12.05 O ATOM 1078 CG2 THR A 417 -0.611 -3.607 -10.647 1.00 43.13 C ATOM 0 H THR A 417 2.340 -4.580 -8.179 1.00 23.05 H new ATOM 0 HA THR A 417 1.967 -4.520 -10.961 1.00 55.13 H new ATOM 0 HB THR A 417 0.262 -3.362 -8.714 1.00 70.35 H new ATOM 0 HG1 THR A 417 0.590 -5.589 -8.365 1.00 12.05 H new ATOM 0 HG21 THR A 417 -1.624 -3.713 -10.259 1.00 43.13 H new ATOM 0 HG22 THR A 417 -0.437 -2.568 -10.928 1.00 43.13 H new ATOM 0 HG23 THR A 417 -0.489 -4.245 -11.522 1.00 43.13 H new ATOM 1086 N ILE A 418 2.475 -1.578 -9.557 1.00 65.43 N ATOM 1087 CA ILE A 418 2.834 -0.187 -9.806 1.00 32.35 C ATOM 1088 C ILE A 418 4.065 -0.097 -10.714 1.00 72.10 C ATOM 1089 O ILE A 418 4.067 0.638 -11.720 1.00 3.54 O ATOM 1090 CB ILE A 418 3.103 0.555 -8.469 1.00 14.24 C ATOM 1091 CG1 ILE A 418 1.803 0.718 -7.679 1.00 44.50 C ATOM 1092 CG2 ILE A 418 3.784 1.889 -8.687 1.00 41.14 C ATOM 1093 CD1 ILE A 418 1.978 1.398 -6.347 1.00 54.45 C ATOM 0 H ILE A 418 2.502 -1.838 -8.571 1.00 65.43 H new ATOM 0 HA ILE A 418 1.995 0.292 -10.311 1.00 32.35 H new ATOM 0 HB ILE A 418 3.790 -0.056 -7.883 1.00 14.24 H new ATOM 0 HG12 ILE A 418 1.095 1.291 -8.278 1.00 44.50 H new ATOM 0 HG13 ILE A 418 1.362 -0.266 -7.518 1.00 44.50 H new ATOM 0 HG21 ILE A 418 3.953 2.373 -7.725 1.00 41.14 H new ATOM 0 HG22 ILE A 418 4.740 1.732 -9.187 1.00 41.14 H new ATOM 0 HG23 ILE A 418 3.151 2.524 -9.306 1.00 41.14 H new ATOM 0 HD11 ILE A 418 1.012 1.476 -5.849 1.00 54.45 H new ATOM 0 HD12 ILE A 418 2.660 0.815 -5.728 1.00 54.45 H new ATOM 0 HD13 ILE A 418 2.389 2.396 -6.499 1.00 54.45 H new ATOM 1105 N VAL A 419 5.082 -0.852 -10.367 1.00 14.41 N ATOM 1106 CA VAL A 419 6.323 -0.899 -11.124 1.00 14.51 C ATOM 1107 C VAL A 419 6.076 -1.485 -12.513 1.00 64.14 C ATOM 1108 O VAL A 419 6.610 -1.001 -13.518 1.00 52.35 O ATOM 1109 CB VAL A 419 7.382 -1.754 -10.381 1.00 52.34 C ATOM 1110 CG1 VAL A 419 8.677 -1.842 -11.172 1.00 13.04 C ATOM 1111 CG2 VAL A 419 7.646 -1.186 -9.001 1.00 64.13 C ATOM 0 H VAL A 419 5.076 -1.457 -9.546 1.00 14.41 H new ATOM 0 HA VAL A 419 6.698 0.120 -11.226 1.00 14.51 H new ATOM 0 HB VAL A 419 6.983 -2.763 -10.278 1.00 52.34 H new ATOM 0 HG11 VAL A 419 9.398 -2.448 -10.623 1.00 13.04 H new ATOM 0 HG12 VAL A 419 8.481 -2.300 -12.141 1.00 13.04 H new ATOM 0 HG13 VAL A 419 9.082 -0.841 -11.319 1.00 13.04 H new ATOM 0 HG21 VAL A 419 8.391 -1.797 -8.492 1.00 64.13 H new ATOM 0 HG22 VAL A 419 8.015 -0.165 -9.093 1.00 64.13 H new ATOM 0 HG23 VAL A 419 6.721 -1.187 -8.424 1.00 64.13 H new ATOM 1121 N ASP A 420 5.239 -2.492 -12.557 1.00 62.23 N ATOM 1122 CA ASP A 420 4.904 -3.195 -13.803 1.00 11.32 C ATOM 1123 C ASP A 420 4.068 -2.322 -14.724 1.00 61.52 C ATOM 1124 O ASP A 420 4.137 -2.431 -15.944 1.00 50.10 O ATOM 1125 CB ASP A 420 4.167 -4.506 -13.496 1.00 53.30 C ATOM 1126 CG ASP A 420 3.757 -5.272 -14.737 1.00 23.13 C ATOM 1127 OD1 ASP A 420 4.621 -5.938 -15.357 1.00 61.13 O ATOM 1128 OD2 ASP A 420 2.566 -5.238 -15.103 1.00 32.33 O ATOM 0 H ASP A 420 4.761 -2.860 -11.735 1.00 62.23 H new ATOM 0 HA ASP A 420 5.837 -3.426 -14.317 1.00 11.32 H new ATOM 0 HB2 ASP A 420 4.808 -5.139 -12.883 1.00 53.30 H new ATOM 0 HB3 ASP A 420 3.278 -4.285 -12.905 1.00 53.30 H new ATOM 1133 N SER A 421 3.290 -1.455 -14.141 1.00 35.13 N ATOM 1134 CA SER A 421 2.463 -0.565 -14.897 1.00 11.14 C ATOM 1135 C SER A 421 3.254 0.695 -15.302 1.00 35.35 C ATOM 1136 O SER A 421 2.778 1.522 -16.087 1.00 0.42 O ATOM 1137 CB SER A 421 1.203 -0.209 -14.088 1.00 61.20 C ATOM 1138 OG SER A 421 0.307 0.599 -14.825 1.00 64.22 O ATOM 0 H SER A 421 3.213 -1.347 -13.130 1.00 35.13 H new ATOM 0 HA SER A 421 2.147 -1.060 -15.815 1.00 11.14 H new ATOM 0 HB2 SER A 421 0.697 -1.125 -13.784 1.00 61.20 H new ATOM 0 HB3 SER A 421 1.494 0.312 -13.176 1.00 61.20 H new ATOM 0 HG SER A 421 0.801 1.091 -15.514 1.00 64.22 H new ATOM 1144 N GLY A 422 4.473 0.819 -14.786 1.00 51.54 N ATOM 1145 CA GLY A 422 5.303 1.956 -15.113 1.00 55.25 C ATOM 1146 C GLY A 422 4.853 3.211 -14.408 1.00 34.04 C ATOM 1147 O GLY A 422 5.085 4.332 -14.887 1.00 63.41 O ATOM 0 H GLY A 422 4.898 0.148 -14.146 1.00 51.54 H new ATOM 0 HA2 GLY A 422 6.336 1.739 -14.842 1.00 55.25 H new ATOM 0 HA3 GLY A 422 5.284 2.120 -16.190 1.00 55.25 H new ATOM 1151 N LYS A 423 4.199 3.036 -13.284 1.00 30.22 N ATOM 1152 CA LYS A 423 3.704 4.151 -12.525 1.00 73.44 C ATOM 1153 C LYS A 423 4.799 4.762 -11.683 1.00 21.13 C ATOM 1154 O LYS A 423 4.972 5.974 -11.658 1.00 15.32 O ATOM 1155 CB LYS A 423 2.541 3.719 -11.684 1.00 45.24 C ATOM 1156 CG LYS A 423 1.359 3.344 -12.523 1.00 12.22 C ATOM 1157 CD LYS A 423 0.234 2.857 -11.684 1.00 11.53 C ATOM 1158 CE LYS A 423 -0.944 2.479 -12.558 1.00 32.42 C ATOM 1159 NZ LYS A 423 -2.099 1.993 -11.780 1.00 1.22 N ATOM 0 H LYS A 423 3.998 2.123 -12.876 1.00 30.22 H new ATOM 0 HA LYS A 423 3.361 4.922 -13.215 1.00 73.44 H new ATOM 0 HB2 LYS A 423 2.834 2.869 -11.067 1.00 45.24 H new ATOM 0 HB3 LYS A 423 2.264 4.525 -11.005 1.00 45.24 H new ATOM 0 HG2 LYS A 423 1.035 4.207 -13.104 1.00 12.22 H new ATOM 0 HG3 LYS A 423 1.646 2.570 -13.235 1.00 12.22 H new ATOM 0 HD2 LYS A 423 0.554 1.995 -11.099 1.00 11.53 H new ATOM 0 HD3 LYS A 423 -0.063 3.631 -10.976 1.00 11.53 H new ATOM 0 HE2 LYS A 423 -1.247 3.345 -13.147 1.00 32.42 H new ATOM 0 HE3 LYS A 423 -0.635 1.707 -13.262 1.00 32.42 H new ATOM 0 HZ1 LYS A 423 -2.876 1.749 -12.427 1.00 1.22 H new ATOM 0 HZ2 LYS A 423 -1.822 1.150 -11.238 1.00 1.22 H new ATOM 0 HZ3 LYS A 423 -2.415 2.737 -11.126 1.00 1.22 H new ATOM 1173 N LEU A 424 5.547 3.919 -11.025 1.00 34.34 N ATOM 1174 CA LEU A 424 6.681 4.333 -10.224 1.00 73.22 C ATOM 1175 C LEU A 424 7.822 3.373 -10.444 1.00 34.41 C ATOM 1176 O LEU A 424 7.591 2.217 -10.825 1.00 23.55 O ATOM 1177 CB LEU A 424 6.348 4.374 -8.720 1.00 12.20 C ATOM 1178 CG LEU A 424 5.396 5.460 -8.229 1.00 31.35 C ATOM 1179 CD1 LEU A 424 5.166 5.293 -6.738 1.00 52.24 C ATOM 1180 CD2 LEU A 424 5.984 6.836 -8.504 1.00 2.13 C ATOM 0 H LEU A 424 5.389 2.911 -11.026 1.00 34.34 H new ATOM 0 HA LEU A 424 6.953 5.341 -10.536 1.00 73.22 H new ATOM 0 HB2 LEU A 424 5.924 3.408 -8.445 1.00 12.20 H new ATOM 0 HB3 LEU A 424 7.285 4.478 -8.173 1.00 12.20 H new ATOM 0 HG LEU A 424 4.448 5.369 -8.759 1.00 31.35 H new ATOM 0 HD11 LEU A 424 4.486 6.068 -6.386 1.00 52.24 H new ATOM 0 HD12 LEU A 424 4.730 4.313 -6.545 1.00 52.24 H new ATOM 0 HD13 LEU A 424 6.117 5.378 -6.211 1.00 52.24 H new ATOM 0 HD21 LEU A 424 5.296 7.603 -8.149 1.00 2.13 H new ATOM 0 HD22 LEU A 424 6.937 6.935 -7.984 1.00 2.13 H new ATOM 0 HD23 LEU A 424 6.141 6.957 -9.576 1.00 2.13 H new ATOM 1192 N PRO A 425 9.065 3.823 -10.258 1.00 42.54 N ATOM 1193 CA PRO A 425 10.215 2.948 -10.324 1.00 5.33 C ATOM 1194 C PRO A 425 10.276 2.067 -9.081 1.00 71.02 C ATOM 1195 O PRO A 425 9.858 2.489 -7.992 1.00 24.13 O ATOM 1196 CB PRO A 425 11.423 3.902 -10.335 1.00 12.53 C ATOM 1197 CG PRO A 425 10.863 5.279 -10.463 1.00 71.31 C ATOM 1198 CD PRO A 425 9.448 5.215 -9.988 1.00 11.14 C ATOM 0 HA PRO A 425 10.185 2.290 -11.192 1.00 5.33 H new ATOM 0 HB2 PRO A 425 12.006 3.802 -9.420 1.00 12.53 H new ATOM 0 HB3 PRO A 425 12.091 3.675 -11.165 1.00 12.53 H new ATOM 0 HG2 PRO A 425 11.439 5.988 -9.868 1.00 71.31 H new ATOM 0 HG3 PRO A 425 10.909 5.620 -11.497 1.00 71.31 H new ATOM 0 HD2 PRO A 425 9.368 5.456 -8.928 1.00 11.14 H new ATOM 0 HD3 PRO A 425 8.811 5.919 -10.524 1.00 11.14 H new ATOM 1206 N SER A 426 10.804 0.874 -9.232 1.00 0.41 N ATOM 1207 CA SER A 426 10.939 -0.078 -8.139 1.00 74.33 C ATOM 1208 C SER A 426 11.760 0.501 -6.990 1.00 52.42 C ATOM 1209 O SER A 426 11.525 0.196 -5.826 1.00 23.05 O ATOM 1210 CB SER A 426 11.549 -1.366 -8.676 1.00 45.32 C ATOM 1211 OG SER A 426 12.707 -1.082 -9.454 1.00 0.52 O ATOM 0 H SER A 426 11.157 0.528 -10.124 1.00 0.41 H new ATOM 0 HA SER A 426 9.953 -0.297 -7.730 1.00 74.33 H new ATOM 0 HB2 SER A 426 11.812 -2.024 -7.848 1.00 45.32 H new ATOM 0 HB3 SER A 426 10.816 -1.897 -9.284 1.00 45.32 H new ATOM 0 HG SER A 426 13.088 -1.920 -9.791 1.00 0.52 H new ATOM 1217 N SER A 427 12.684 1.374 -7.340 1.00 61.52 N ATOM 1218 CA SER A 427 13.559 2.032 -6.406 1.00 72.31 C ATOM 1219 C SER A 427 12.778 2.878 -5.377 1.00 1.22 C ATOM 1220 O SER A 427 13.272 3.159 -4.294 1.00 14.13 O ATOM 1221 CB SER A 427 14.517 2.898 -7.196 1.00 12.42 C ATOM 1222 OG SER A 427 15.160 2.114 -8.193 1.00 52.30 O ATOM 0 H SER A 427 12.846 1.648 -8.309 1.00 61.52 H new ATOM 0 HA SER A 427 14.104 1.281 -5.834 1.00 72.31 H new ATOM 0 HB2 SER A 427 13.978 3.724 -7.660 1.00 12.42 H new ATOM 0 HB3 SER A 427 15.260 3.337 -6.530 1.00 12.42 H new ATOM 0 HG SER A 427 15.778 2.677 -8.704 1.00 52.30 H new ATOM 1228 N LEU A 428 11.558 3.262 -5.709 1.00 10.14 N ATOM 1229 CA LEU A 428 10.761 4.055 -4.809 1.00 44.55 C ATOM 1230 C LEU A 428 9.915 3.192 -3.883 1.00 13.11 C ATOM 1231 O LEU A 428 9.314 3.696 -2.936 1.00 73.25 O ATOM 1232 CB LEU A 428 9.884 5.063 -5.580 1.00 54.44 C ATOM 1233 CG LEU A 428 10.563 6.353 -6.097 1.00 60.52 C ATOM 1234 CD1 LEU A 428 11.078 7.193 -4.939 1.00 61.54 C ATOM 1235 CD2 LEU A 428 11.690 6.047 -7.057 1.00 64.01 C ATOM 0 H LEU A 428 11.105 3.035 -6.594 1.00 10.14 H new ATOM 0 HA LEU A 428 11.453 4.618 -4.183 1.00 44.55 H new ATOM 0 HB2 LEU A 428 9.450 4.545 -6.436 1.00 54.44 H new ATOM 0 HB3 LEU A 428 9.058 5.355 -4.931 1.00 54.44 H new ATOM 0 HG LEU A 428 9.806 6.921 -6.638 1.00 60.52 H new ATOM 0 HD11 LEU A 428 11.552 8.095 -5.326 1.00 61.54 H new ATOM 0 HD12 LEU A 428 10.246 7.469 -4.292 1.00 61.54 H new ATOM 0 HD13 LEU A 428 11.806 6.617 -4.368 1.00 61.54 H new ATOM 0 HD21 LEU A 428 12.141 6.979 -7.397 1.00 64.01 H new ATOM 0 HD22 LEU A 428 12.444 5.442 -6.553 1.00 64.01 H new ATOM 0 HD23 LEU A 428 11.299 5.499 -7.914 1.00 64.01 H new ATOM 1247 N LEU A 429 9.899 1.886 -4.131 1.00 21.10 N ATOM 1248 CA LEU A 429 9.061 0.976 -3.370 1.00 25.01 C ATOM 1249 C LEU A 429 9.898 -0.194 -2.913 1.00 73.12 C ATOM 1250 O LEU A 429 9.375 -1.245 -2.575 1.00 65.55 O ATOM 1251 CB LEU A 429 7.868 0.450 -4.226 1.00 2.31 C ATOM 1252 CG LEU A 429 6.795 1.445 -4.708 1.00 34.52 C ATOM 1253 CD1 LEU A 429 6.281 2.304 -3.575 1.00 30.45 C ATOM 1254 CD2 LEU A 429 7.265 2.273 -5.889 1.00 43.41 C ATOM 0 H LEU A 429 10.459 1.437 -4.855 1.00 21.10 H new ATOM 0 HA LEU A 429 8.654 1.516 -2.515 1.00 25.01 H new ATOM 0 HB2 LEU A 429 8.286 -0.036 -5.108 1.00 2.31 H new ATOM 0 HB3 LEU A 429 7.363 -0.322 -3.646 1.00 2.31 H new ATOM 0 HG LEU A 429 5.953 0.853 -5.067 1.00 34.52 H new ATOM 0 HD11 LEU A 429 5.526 2.993 -3.954 1.00 30.45 H new ATOM 0 HD12 LEU A 429 5.839 1.668 -2.808 1.00 30.45 H new ATOM 0 HD13 LEU A 429 7.107 2.871 -3.145 1.00 30.45 H new ATOM 0 HD21 LEU A 429 6.473 2.958 -6.191 1.00 43.41 H new ATOM 0 HD22 LEU A 429 8.150 2.843 -5.605 1.00 43.41 H new ATOM 0 HD23 LEU A 429 7.511 1.613 -6.721 1.00 43.41 H new ATOM 1266 N SER A 430 11.194 0.039 -2.830 1.00 71.44 N ATOM 1267 CA SER A 430 12.205 -0.983 -2.560 1.00 64.41 C ATOM 1268 C SER A 430 11.966 -1.842 -1.293 1.00 74.42 C ATOM 1269 O SER A 430 12.553 -2.915 -1.160 1.00 74.11 O ATOM 1270 CB SER A 430 13.569 -0.333 -2.527 1.00 34.02 C ATOM 1271 OG SER A 430 13.882 0.249 -3.780 1.00 43.34 O ATOM 0 H SER A 430 11.591 0.971 -2.951 1.00 71.44 H new ATOM 0 HA SER A 430 12.134 -1.700 -3.378 1.00 64.41 H new ATOM 0 HB2 SER A 430 13.593 0.431 -1.750 1.00 34.02 H new ATOM 0 HB3 SER A 430 14.324 -1.075 -2.268 1.00 34.02 H new ATOM 0 HG SER A 430 13.123 0.139 -4.390 1.00 43.34 H new ATOM 1277 N TYR A 431 11.124 -1.387 -0.379 1.00 5.43 N ATOM 1278 CA TYR A 431 10.815 -2.187 0.797 1.00 63.15 C ATOM 1279 C TYR A 431 9.852 -3.325 0.406 1.00 74.11 C ATOM 1280 O TYR A 431 9.896 -4.420 0.972 1.00 50.05 O ATOM 1281 CB TYR A 431 10.205 -1.310 1.912 1.00 74.42 C ATOM 1282 CG TYR A 431 9.896 -2.044 3.212 1.00 72.42 C ATOM 1283 CD1 TYR A 431 8.661 -2.640 3.420 1.00 44.51 C ATOM 1284 CD2 TYR A 431 10.840 -2.139 4.224 1.00 32.43 C ATOM 1285 CE1 TYR A 431 8.371 -3.307 4.588 1.00 33.24 C ATOM 1286 CE2 TYR A 431 10.557 -2.807 5.400 1.00 72.30 C ATOM 1287 CZ TYR A 431 9.318 -3.389 5.576 1.00 23.04 C ATOM 1288 OH TYR A 431 9.027 -4.063 6.743 1.00 21.43 O ATOM 0 H TYR A 431 10.650 -0.485 -0.425 1.00 5.43 H new ATOM 0 HA TYR A 431 11.737 -2.620 1.185 1.00 63.15 H new ATOM 0 HB2 TYR A 431 10.893 -0.493 2.128 1.00 74.42 H new ATOM 0 HB3 TYR A 431 9.285 -0.861 1.538 1.00 74.42 H new ATOM 0 HD1 TYR A 431 7.909 -2.579 2.647 1.00 44.51 H new ATOM 0 HD2 TYR A 431 11.810 -1.684 4.091 1.00 32.43 H new ATOM 0 HE1 TYR A 431 7.402 -3.764 4.726 1.00 33.24 H new ATOM 0 HE2 TYR A 431 11.303 -2.873 6.179 1.00 72.30 H new ATOM 0 HH TYR A 431 9.849 -4.448 7.112 1.00 21.43 H new ATOM 1298 N PHE A 432 9.012 -3.065 -0.580 1.00 51.31 N ATOM 1299 CA PHE A 432 8.026 -4.035 -1.025 1.00 0.22 C ATOM 1300 C PHE A 432 8.367 -4.620 -2.396 1.00 50.13 C ATOM 1301 O PHE A 432 7.778 -5.618 -2.814 1.00 22.34 O ATOM 1302 CB PHE A 432 6.619 -3.427 -1.020 1.00 3.05 C ATOM 1303 CG PHE A 432 6.147 -3.040 0.351 1.00 42.15 C ATOM 1304 CD1 PHE A 432 5.690 -4.008 1.221 1.00 12.04 C ATOM 1305 CD2 PHE A 432 6.166 -1.719 0.770 1.00 1.24 C ATOM 1306 CE1 PHE A 432 5.263 -3.680 2.484 1.00 50.31 C ATOM 1307 CE2 PHE A 432 5.734 -1.377 2.039 1.00 31.41 C ATOM 1308 CZ PHE A 432 5.282 -2.360 2.901 1.00 50.42 C ATOM 0 H PHE A 432 8.993 -2.183 -1.092 1.00 51.31 H new ATOM 0 HA PHE A 432 8.046 -4.861 -0.314 1.00 0.22 H new ATOM 0 HB2 PHE A 432 6.608 -2.547 -1.663 1.00 3.05 H new ATOM 0 HB3 PHE A 432 5.919 -4.144 -1.449 1.00 3.05 H new ATOM 0 HD1 PHE A 432 5.668 -5.040 0.904 1.00 12.04 H new ATOM 0 HD2 PHE A 432 6.521 -0.950 0.100 1.00 1.24 H new ATOM 0 HE1 PHE A 432 4.912 -4.452 3.153 1.00 50.31 H new ATOM 0 HE2 PHE A 432 5.750 -0.345 2.356 1.00 31.41 H new ATOM 0 HZ PHE A 432 4.946 -2.099 3.894 1.00 50.42 H new ATOM 1318 N VAL A 433 9.295 -4.000 -3.083 1.00 2.12 N ATOM 1319 CA VAL A 433 9.756 -4.475 -4.364 1.00 71.23 C ATOM 1320 C VAL A 433 11.294 -4.417 -4.437 1.00 60.24 C ATOM 1321 O VAL A 433 11.871 -3.343 -4.686 1.00 37.79 O ATOM 1322 CB VAL A 433 9.041 -3.765 -5.579 1.00 53.31 C ATOM 1323 CG1 VAL A 433 9.163 -2.278 -5.523 1.00 1.23 C ATOM 1324 CG2 VAL A 433 9.573 -4.244 -6.891 1.00 25.41 C ATOM 1325 OXT VAL A 433 11.933 -5.458 -4.191 1.00 37.79 O ATOM 0 H VAL A 433 9.754 -3.146 -2.767 1.00 2.12 H new ATOM 0 HA VAL A 433 9.467 -5.522 -4.455 1.00 71.23 H new ATOM 0 HB VAL A 433 7.987 -4.032 -5.496 1.00 53.31 H new ATOM 0 HG11 VAL A 433 8.654 -1.839 -6.381 1.00 1.23 H new ATOM 0 HG12 VAL A 433 8.708 -1.910 -4.604 1.00 1.23 H new ATOM 0 HG13 VAL A 433 10.216 -1.998 -5.543 1.00 1.23 H new ATOM 0 HG21 VAL A 433 9.056 -3.732 -7.702 1.00 25.41 H new ATOM 0 HG22 VAL A 433 10.640 -4.032 -6.950 1.00 25.41 H new ATOM 0 HG23 VAL A 433 9.411 -5.318 -6.979 1.00 25.41 H new