USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 284 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 421 CYS SG : rot 132:sc= -0.941 USER MOD Set 1.2: A 427 CYS SG : rot 119:sc= -2.22 USER MOD Set 1.3: A 434 HIS : no HE2:sc= -1.71 K(o=-4.9,f=-9) USER MOD Set 1.4: A 440 HIS : no HD1:sc= -0.0195 K(o=-4.9,f=-9.9) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.7!) USER MOD Single : A 433 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.5!) USER MOD Single : A 435 LYS NZ :NH3+ 175:sc= 0.00143 (180deg=-0.0194) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -3.99! C(o=-4!,f=-8.3!) USER MOD Single : A 442 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 447 ASN : amide:sc=-0.00489 X(o=-0.0049,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -2.256 -10.322 -8.765 1.00 0.00 N ATOM 149 CA ASP A 416 -1.734 -11.577 -8.144 1.00 0.00 C ATOM 150 C ASP A 416 -0.200 -11.535 -7.987 1.00 0.00 C ATOM 151 O ASP A 416 0.428 -12.571 -7.858 1.00 0.00 O ATOM 152 CB ASP A 416 -2.131 -12.688 -9.114 1.00 0.00 C ATOM 153 CG ASP A 416 -3.645 -12.898 -9.063 1.00 0.00 C ATOM 154 OD1 ASP A 416 -4.151 -13.157 -7.984 1.00 0.00 O ATOM 155 OD2 ASP A 416 -4.272 -12.795 -10.105 1.00 0.00 O ATOM 0 HA ASP A 416 -2.140 -11.724 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -1.824 -12.427 -10.127 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -1.617 -13.613 -8.853 1.00 0.00 H new ATOM 160 N ASP A 417 0.419 -10.367 -7.990 1.00 0.00 N ATOM 161 CA ASP A 417 1.905 -10.312 -7.832 1.00 0.00 C ATOM 162 C ASP A 417 2.299 -9.237 -6.808 1.00 0.00 C ATOM 163 O ASP A 417 3.334 -8.610 -6.939 1.00 0.00 O ATOM 164 CB ASP A 417 2.436 -9.943 -9.218 1.00 0.00 C ATOM 165 CG ASP A 417 3.782 -10.633 -9.449 1.00 0.00 C ATOM 166 OD1 ASP A 417 4.585 -10.643 -8.531 1.00 0.00 O ATOM 167 OD2 ASP A 417 3.987 -11.139 -10.540 1.00 0.00 O ATOM 0 H ASP A 417 -0.042 -9.463 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 417 2.312 -11.257 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.723 -10.247 -9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.551 -8.862 -9.299 1.00 0.00 H new ATOM 172 N ARG A 418 1.490 -9.006 -5.791 1.00 0.00 N ATOM 173 CA ARG A 418 1.841 -7.961 -4.780 1.00 0.00 C ATOM 174 C ARG A 418 2.075 -8.614 -3.410 1.00 0.00 C ATOM 175 O ARG A 418 1.382 -9.549 -3.058 1.00 0.00 O ATOM 176 CB ARG A 418 0.618 -7.038 -4.713 1.00 0.00 C ATOM 177 CG ARG A 418 0.327 -6.442 -6.094 1.00 0.00 C ATOM 178 CD ARG A 418 1.076 -5.122 -6.236 1.00 0.00 C ATOM 179 NE ARG A 418 0.499 -4.468 -7.450 1.00 0.00 N ATOM 180 CZ ARG A 418 -0.652 -3.816 -7.402 1.00 0.00 C ATOM 181 NH1 ARG A 418 -1.356 -3.744 -6.294 1.00 0.00 N ATOM 182 NH2 ARG A 418 -1.108 -3.231 -8.480 1.00 0.00 N ATOM 0 H ARG A 418 0.611 -9.495 -5.624 1.00 0.00 H new ATOM 0 HA ARG A 418 2.749 -7.422 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.249 -7.597 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.796 -6.238 -3.994 1.00 0.00 H new ATOM 0 HG2 ARG A 418 0.636 -7.136 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.744 -6.281 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.943 -4.498 -5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 418 2.147 -5.288 -6.351 1.00 0.00 H new ATOM 0 HE ARG A 418 1.003 -4.525 -8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -1.018 -4.197 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -2.240 -3.235 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -0.577 -3.279 -9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -1.994 -2.727 -8.451 1.00 0.00 H new ATOM 196 N PRO A 419 3.033 -8.102 -2.664 1.00 0.00 N ATOM 197 CA PRO A 419 3.309 -8.669 -1.327 1.00 0.00 C ATOM 198 C PRO A 419 2.248 -8.175 -0.311 1.00 0.00 C ATOM 199 O PRO A 419 1.241 -8.828 -0.133 1.00 0.00 O ATOM 200 CB PRO A 419 4.730 -8.189 -1.017 1.00 0.00 C ATOM 201 CG PRO A 419 4.930 -6.952 -1.844 1.00 0.00 C ATOM 202 CD PRO A 419 3.933 -6.980 -2.980 1.00 0.00 C ATOM 0 HA PRO A 419 3.249 -9.756 -1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.848 -7.973 0.045 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.465 -8.953 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.788 -6.060 -1.235 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.948 -6.914 -2.232 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.385 -6.040 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.430 -7.129 -3.939 1.00 0.00 H new ATOM 210 N GLU A 420 2.436 -7.036 0.346 1.00 0.00 N ATOM 211 CA GLU A 420 1.397 -6.540 1.331 1.00 0.00 C ATOM 212 C GLU A 420 1.880 -5.285 2.077 1.00 0.00 C ATOM 213 O GLU A 420 2.844 -5.339 2.818 1.00 0.00 O ATOM 214 CB GLU A 420 1.161 -7.670 2.359 1.00 0.00 C ATOM 215 CG GLU A 420 2.499 -8.253 2.839 1.00 0.00 C ATOM 216 CD GLU A 420 2.409 -8.589 4.330 1.00 0.00 C ATOM 217 OE1 GLU A 420 1.805 -9.597 4.655 1.00 0.00 O ATOM 218 OE2 GLU A 420 2.947 -7.831 5.122 1.00 0.00 O ATOM 0 H GLU A 420 3.255 -6.436 0.243 1.00 0.00 H new ATOM 0 HA GLU A 420 0.486 -6.279 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.600 -7.283 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.556 -8.457 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 420 2.742 -9.149 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 420 3.302 -7.537 2.665 1.00 0.00 H new ATOM 225 N CYS A 421 1.198 -4.166 1.930 1.00 0.00 N ATOM 226 CA CYS A 421 1.616 -2.931 2.689 1.00 0.00 C ATOM 227 C CYS A 421 1.512 -3.212 4.199 1.00 0.00 C ATOM 228 O CYS A 421 0.579 -3.859 4.631 1.00 0.00 O ATOM 229 CB CYS A 421 0.621 -1.826 2.270 1.00 0.00 C ATOM 230 SG CYS A 421 0.893 -0.305 3.214 1.00 0.00 S ATOM 0 H CYS A 421 0.383 -4.053 1.328 1.00 0.00 H new ATOM 0 HA CYS A 421 2.643 -2.634 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.730 -1.620 1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.400 -2.175 2.425 1.00 0.00 H new ATOM 0 HG CYS A 421 0.926 0.710 2.402 1.00 0.00 H new ATOM 235 N PRO A 422 2.462 -2.714 4.963 1.00 0.00 N ATOM 236 CA PRO A 422 2.426 -2.936 6.430 1.00 0.00 C ATOM 237 C PRO A 422 1.264 -2.149 7.055 1.00 0.00 C ATOM 238 O PRO A 422 0.592 -2.638 7.944 1.00 0.00 O ATOM 239 CB PRO A 422 3.777 -2.408 6.910 1.00 0.00 C ATOM 240 CG PRO A 422 4.197 -1.427 5.867 1.00 0.00 C ATOM 241 CD PRO A 422 3.634 -1.917 4.560 1.00 0.00 C ATOM 0 HA PRO A 422 2.269 -3.978 6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.691 -1.933 7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.504 -3.214 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.823 -0.430 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.284 -1.356 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.351 -1.089 3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.359 -2.519 4.012 1.00 0.00 H new ATOM 249 N TYR A 423 1.017 -0.932 6.606 1.00 0.00 N ATOM 250 CA TYR A 423 -0.118 -0.121 7.198 1.00 0.00 C ATOM 251 C TYR A 423 -1.432 -0.927 7.193 1.00 0.00 C ATOM 252 O TYR A 423 -2.076 -1.060 8.218 1.00 0.00 O ATOM 253 CB TYR A 423 -0.252 1.152 6.329 1.00 0.00 C ATOM 254 CG TYR A 423 1.031 1.945 6.390 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.671 2.172 7.644 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.599 2.471 5.196 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.876 2.915 7.705 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.807 3.221 5.263 1.00 0.00 C ATOM 259 CZ TYR A 423 3.443 3.438 6.517 1.00 0.00 C ATOM 260 OH TYR A 423 4.617 4.153 6.583 1.00 0.00 O ATOM 0 H TYR A 423 1.542 -0.467 5.865 1.00 0.00 H new ATOM 0 HA TYR A 423 0.089 0.135 8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.473 0.878 5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.084 1.760 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.236 1.776 8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.116 2.302 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.361 3.082 8.655 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.241 3.626 4.361 1.00 0.00 H new ATOM 0 HH TYR A 423 4.875 4.442 5.683 1.00 0.00 H new ATOM 270 N GLY A 424 -1.830 -1.481 6.066 1.00 0.00 N ATOM 271 CA GLY A 424 -3.090 -2.285 6.034 1.00 0.00 C ATOM 272 C GLY A 424 -4.266 -1.429 5.530 1.00 0.00 C ATOM 273 O GLY A 424 -4.086 -0.590 4.668 1.00 0.00 O ATOM 0 H GLY A 424 -1.337 -1.409 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -2.959 -3.151 5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.311 -2.665 7.031 1.00 0.00 H new ATOM 277 N PRO A 425 -5.445 -1.670 6.077 1.00 0.00 N ATOM 278 CA PRO A 425 -6.654 -0.903 5.655 1.00 0.00 C ATOM 279 C PRO A 425 -6.584 0.575 6.094 1.00 0.00 C ATOM 280 O PRO A 425 -7.272 1.412 5.536 1.00 0.00 O ATOM 281 CB PRO A 425 -7.799 -1.615 6.371 1.00 0.00 C ATOM 282 CG PRO A 425 -7.160 -2.262 7.552 1.00 0.00 C ATOM 283 CD PRO A 425 -5.772 -2.651 7.125 1.00 0.00 C ATOM 0 HA PRO A 425 -6.764 -0.879 4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.574 -0.912 6.675 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.274 -2.352 5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -7.128 -1.577 8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.728 -3.136 7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -5.068 -2.600 7.956 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.741 -3.671 6.743 1.00 0.00 H new ATOM 291 N SER A 426 -5.760 0.918 7.067 1.00 0.00 N ATOM 292 CA SER A 426 -5.666 2.349 7.493 1.00 0.00 C ATOM 293 C SER A 426 -4.391 2.951 6.896 1.00 0.00 C ATOM 294 O SER A 426 -3.568 3.506 7.601 1.00 0.00 O ATOM 295 CB SER A 426 -5.602 2.334 9.024 1.00 0.00 C ATOM 296 OG SER A 426 -6.226 1.152 9.508 1.00 0.00 O ATOM 0 H SER A 426 -5.157 0.272 7.576 1.00 0.00 H new ATOM 0 HA SER A 426 -6.512 2.947 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 426 -4.565 2.374 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 426 -6.101 3.214 9.429 1.00 0.00 H new ATOM 0 HG SER A 426 -6.185 1.138 10.487 1.00 0.00 H new ATOM 302 N CYS A 427 -4.224 2.840 5.595 1.00 0.00 N ATOM 303 CA CYS A 427 -2.995 3.405 4.948 1.00 0.00 C ATOM 304 C CYS A 427 -3.209 4.891 4.600 1.00 0.00 C ATOM 305 O CYS A 427 -3.729 5.223 3.552 1.00 0.00 O ATOM 306 CB CYS A 427 -2.748 2.583 3.677 1.00 0.00 C ATOM 307 SG CYS A 427 -1.133 3.024 2.998 1.00 0.00 S ATOM 0 H CYS A 427 -4.881 2.386 4.960 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.137 3.350 5.618 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.783 1.518 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.531 2.778 2.944 1.00 0.00 H new ATOM 0 HG CYS A 427 -0.369 1.973 2.978 1.00 0.00 H new ATOM 312 N TYR A 428 -2.796 5.785 5.474 1.00 0.00 N ATOM 313 CA TYR A 428 -2.957 7.264 5.195 1.00 0.00 C ATOM 314 C TYR A 428 -2.123 7.704 3.952 1.00 0.00 C ATOM 315 O TYR A 428 -2.363 8.766 3.406 1.00 0.00 O ATOM 316 CB TYR A 428 -2.515 8.020 6.505 1.00 0.00 C ATOM 317 CG TYR A 428 -1.284 8.890 6.281 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.422 10.140 5.619 1.00 0.00 C ATOM 319 CD2 TYR A 428 0.004 8.450 6.706 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.278 10.950 5.380 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.138 9.260 6.467 1.00 0.00 C ATOM 322 CZ TYR A 428 1.002 10.508 5.804 1.00 0.00 C ATOM 323 OH TYR A 428 2.114 11.294 5.574 1.00 0.00 O ATOM 0 H TYR A 428 -2.356 5.561 6.366 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.991 7.506 4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.338 8.642 6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.306 7.292 7.289 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.397 10.475 5.297 1.00 0.00 H new ATOM 0 HD2 TYR A 428 0.113 7.501 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.383 11.900 4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.113 8.927 6.791 1.00 0.00 H new ATOM 0 HH TYR A 428 2.910 10.846 5.928 1.00 0.00 H new ATOM 333 N ARG A 429 -1.154 6.921 3.504 1.00 0.00 N ATOM 334 CA ARG A 429 -0.348 7.351 2.309 1.00 0.00 C ATOM 335 C ARG A 429 -0.977 6.825 1.010 1.00 0.00 C ATOM 336 O ARG A 429 -1.493 5.723 0.965 1.00 0.00 O ATOM 337 CB ARG A 429 1.079 6.794 2.499 1.00 0.00 C ATOM 338 CG ARG A 429 1.080 5.262 2.497 1.00 0.00 C ATOM 339 CD ARG A 429 2.512 4.752 2.288 1.00 0.00 C ATOM 340 NE ARG A 429 2.970 5.268 0.947 1.00 0.00 N ATOM 341 CZ ARG A 429 4.260 5.364 0.660 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.184 4.974 1.508 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.632 5.844 -0.500 1.00 0.00 N ATOM 0 H ARG A 429 -0.893 6.021 3.908 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.325 8.438 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.725 7.162 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.493 7.159 3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.683 4.886 3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.430 4.888 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.168 5.107 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.541 3.663 2.313 1.00 0.00 H new ATOM 0 HE ARG A 429 2.278 5.547 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.915 4.586 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.170 5.059 1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.930 6.142 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.624 5.920 -0.726 1.00 0.00 H new ATOM 357 N LYS A 430 -0.946 7.612 -0.046 1.00 0.00 N ATOM 358 CA LYS A 430 -1.545 7.168 -1.338 1.00 0.00 C ATOM 359 C LYS A 430 -0.656 7.627 -2.507 1.00 0.00 C ATOM 360 O LYS A 430 -0.850 8.698 -3.049 1.00 0.00 O ATOM 361 CB LYS A 430 -2.907 7.863 -1.389 1.00 0.00 C ATOM 362 CG LYS A 430 -3.651 7.454 -2.659 1.00 0.00 C ATOM 363 CD LYS A 430 -4.758 8.471 -2.948 1.00 0.00 C ATOM 364 CE LYS A 430 -5.695 7.917 -4.022 1.00 0.00 C ATOM 365 NZ LYS A 430 -6.605 9.048 -4.357 1.00 0.00 N ATOM 0 H LYS A 430 -0.529 8.543 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.637 6.084 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.495 7.596 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.774 8.945 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -2.959 7.404 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -4.078 6.459 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -5.318 8.683 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -4.323 9.413 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -5.139 7.585 -4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -6.253 7.056 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -7.279 8.746 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -7.126 9.339 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -6.046 9.850 -4.711 1.00 0.00 H new ATOM 379 N ASN A 431 0.325 6.834 -2.894 1.00 0.00 N ATOM 380 CA ASN A 431 1.221 7.250 -4.018 1.00 0.00 C ATOM 381 C ASN A 431 1.014 6.342 -5.242 1.00 0.00 C ATOM 382 O ASN A 431 0.321 5.348 -5.156 1.00 0.00 O ATOM 383 CB ASN A 431 2.644 7.098 -3.473 1.00 0.00 C ATOM 384 CG ASN A 431 3.166 8.461 -3.001 1.00 0.00 C ATOM 385 OD1 ASN A 431 3.642 9.246 -3.798 1.00 0.00 O ATOM 386 ND2 ASN A 431 3.097 8.784 -1.732 1.00 0.00 N ATOM 0 H ASN A 431 0.538 5.926 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 431 1.015 8.269 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.653 6.388 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.299 6.695 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 431 3.442 9.691 -1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.698 8.128 -1.060 1.00 0.00 H new ATOM 393 N PRO A 432 1.622 6.712 -6.352 1.00 0.00 N ATOM 394 CA PRO A 432 1.484 5.906 -7.591 1.00 0.00 C ATOM 395 C PRO A 432 2.297 4.604 -7.486 1.00 0.00 C ATOM 396 O PRO A 432 1.857 3.564 -7.935 1.00 0.00 O ATOM 397 CB PRO A 432 2.054 6.812 -8.679 1.00 0.00 C ATOM 398 CG PRO A 432 2.995 7.731 -7.969 1.00 0.00 C ATOM 399 CD PRO A 432 2.480 7.893 -6.562 1.00 0.00 C ATOM 0 HA PRO A 432 0.455 5.606 -7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.571 6.232 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.264 7.369 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.005 7.320 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.046 8.696 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.296 7.925 -5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 432 1.917 8.819 -6.448 1.00 0.00 H new ATOM 407 N GLN A 433 3.475 4.646 -6.890 1.00 0.00 N ATOM 408 CA GLN A 433 4.291 3.401 -6.757 1.00 0.00 C ATOM 409 C GLN A 433 3.956 2.642 -5.453 1.00 0.00 C ATOM 410 O GLN A 433 4.211 1.457 -5.356 1.00 0.00 O ATOM 411 CB GLN A 433 5.775 3.836 -6.813 1.00 0.00 C ATOM 412 CG GLN A 433 6.218 4.567 -5.526 1.00 0.00 C ATOM 413 CD GLN A 433 6.444 3.563 -4.388 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.956 3.762 -3.293 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.162 2.490 -4.585 1.00 0.00 N ATOM 0 H GLN A 433 3.898 5.486 -6.495 1.00 0.00 H new ATOM 0 HA GLN A 433 4.071 2.702 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.404 2.959 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 433 5.928 4.490 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.136 5.124 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.459 5.293 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.576 2.314 -5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.309 1.828 -3.823 1.00 0.00 H new ATOM 424 N HIS A 434 3.381 3.295 -4.452 1.00 0.00 N ATOM 425 CA HIS A 434 3.044 2.560 -3.179 1.00 0.00 C ATOM 426 C HIS A 434 1.826 1.629 -3.382 1.00 0.00 C ATOM 427 O HIS A 434 1.668 0.667 -2.652 1.00 0.00 O ATOM 428 CB HIS A 434 2.747 3.621 -2.099 1.00 0.00 C ATOM 429 CG HIS A 434 2.337 2.921 -0.829 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.233 2.192 -0.058 1.00 0.00 N ATOM 431 CD2 HIS A 434 1.113 2.754 -0.237 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.532 1.614 0.935 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.239 1.928 0.862 1.00 0.00 N ATOM 0 H HIS A 434 3.136 4.285 -4.463 1.00 0.00 H new ATOM 0 HA HIS A 434 3.879 1.928 -2.875 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.629 4.237 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.954 4.289 -2.435 1.00 0.00 H new ATOM 0 HD1 HIS A 434 4.237 2.110 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 434 0.190 3.200 -0.578 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.962 0.977 1.694 1.00 0.00 H new ATOM 441 N LYS A 435 0.993 1.862 -4.379 1.00 0.00 N ATOM 442 CA LYS A 435 -0.162 0.928 -4.613 1.00 0.00 C ATOM 443 C LYS A 435 0.310 -0.271 -5.469 1.00 0.00 C ATOM 444 O LYS A 435 -0.293 -1.327 -5.443 1.00 0.00 O ATOM 445 CB LYS A 435 -1.226 1.741 -5.350 1.00 0.00 C ATOM 446 CG LYS A 435 -1.748 2.832 -4.418 1.00 0.00 C ATOM 447 CD LYS A 435 -2.599 3.812 -5.217 1.00 0.00 C ATOM 448 CE LYS A 435 -2.550 5.196 -4.560 1.00 0.00 C ATOM 449 NZ LYS A 435 -2.266 6.144 -5.674 1.00 0.00 N ATOM 0 H LYS A 435 1.062 2.645 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.561 0.528 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.804 2.185 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.043 1.093 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -2.339 2.389 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -0.915 3.355 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.234 3.873 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.629 3.458 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -3.495 5.434 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -1.775 5.242 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -2.302 7.120 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -1.320 5.951 -6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -2.978 6.023 -6.423 1.00 0.00 H new ATOM 463 N ILE A 436 1.410 -0.127 -6.195 1.00 0.00 N ATOM 464 CA ILE A 436 1.932 -1.279 -7.004 1.00 0.00 C ATOM 465 C ILE A 436 2.968 -2.046 -6.158 1.00 0.00 C ATOM 466 O ILE A 436 3.026 -3.257 -6.209 1.00 0.00 O ATOM 467 CB ILE A 436 2.507 -0.737 -8.373 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.661 -1.640 -8.896 1.00 0.00 C ATOM 469 CG2 ILE A 436 2.988 0.725 -8.313 1.00 0.00 C ATOM 470 CD1 ILE A 436 5.001 -1.285 -8.217 1.00 0.00 C ATOM 0 H ILE A 436 1.958 0.731 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 436 1.141 -1.984 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 436 1.666 -0.769 -9.066 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.421 -2.686 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.756 -1.524 -9.976 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.368 1.023 -9.290 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.155 1.371 -8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.782 0.817 -7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.788 -1.933 -8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.251 -0.245 -8.428 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.912 -1.426 -7.140 1.00 0.00 H new ATOM 482 N GLU A 437 3.795 -1.366 -5.390 1.00 0.00 N ATOM 483 CA GLU A 437 4.815 -2.109 -4.562 1.00 0.00 C ATOM 484 C GLU A 437 4.149 -2.865 -3.394 1.00 0.00 C ATOM 485 O GLU A 437 4.658 -3.882 -2.958 1.00 0.00 O ATOM 486 CB GLU A 437 5.803 -1.058 -4.017 1.00 0.00 C ATOM 487 CG GLU A 437 7.018 -0.973 -4.942 1.00 0.00 C ATOM 488 CD GLU A 437 7.801 -2.283 -4.874 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.454 -2.508 -3.868 1.00 0.00 O ATOM 490 OE2 GLU A 437 7.734 -3.041 -5.827 1.00 0.00 O ATOM 0 H GLU A 437 3.811 -0.350 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 437 5.324 -2.854 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.315 -0.086 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 437 6.118 -1.328 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 437 6.697 -0.782 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 437 7.656 -0.140 -4.647 1.00 0.00 H new ATOM 497 N TYR A 438 3.032 -2.391 -2.867 1.00 0.00 N ATOM 498 CA TYR A 438 2.387 -3.107 -1.728 1.00 0.00 C ATOM 499 C TYR A 438 0.852 -3.142 -1.905 1.00 0.00 C ATOM 500 O TYR A 438 0.262 -2.216 -2.427 1.00 0.00 O ATOM 501 CB TYR A 438 2.791 -2.301 -0.497 1.00 0.00 C ATOM 502 CG TYR A 438 4.277 -2.461 -0.270 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.818 -3.742 0.030 1.00 0.00 C ATOM 504 CD2 TYR A 438 5.137 -1.332 -0.363 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.216 -3.893 0.237 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.535 -1.485 -0.156 1.00 0.00 C ATOM 507 CZ TYR A 438 7.074 -2.765 0.144 1.00 0.00 C ATOM 508 OH TYR A 438 8.432 -2.913 0.342 1.00 0.00 O ATOM 0 H TYR A 438 2.551 -1.547 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 438 2.700 -4.148 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.543 -1.249 -0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.237 -2.645 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.166 -4.600 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.728 -0.359 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.626 -4.866 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 438 7.188 -0.628 -0.227 1.00 0.00 H new ATOM 0 HH TYR A 438 8.874 -2.044 0.241 1.00 0.00 H new ATOM 518 N ARG A 439 0.212 -4.227 -1.510 1.00 0.00 N ATOM 519 CA ARG A 439 -1.276 -4.336 -1.702 1.00 0.00 C ATOM 520 C ARG A 439 -2.073 -4.130 -0.408 1.00 0.00 C ATOM 521 O ARG A 439 -1.629 -4.456 0.678 1.00 0.00 O ATOM 522 CB ARG A 439 -1.530 -5.742 -2.278 1.00 0.00 C ATOM 523 CG ARG A 439 -1.140 -6.829 -1.267 1.00 0.00 C ATOM 524 CD ARG A 439 -1.820 -8.150 -1.658 1.00 0.00 C ATOM 525 NE ARG A 439 -1.233 -9.208 -0.761 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.080 -10.460 -1.177 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.496 -10.853 -2.361 1.00 0.00 N ATOM 528 NH2 ARG A 439 -0.523 -11.339 -0.383 1.00 0.00 N ATOM 0 H ARG A 439 0.653 -5.033 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.617 -3.546 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.582 -5.846 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -0.957 -5.872 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 439 -0.057 -6.955 -1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.443 -6.534 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.900 -8.085 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.639 -8.385 -2.707 1.00 0.00 H new ATOM 0 HE ARG A 439 -0.947 -8.958 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -1.950 -10.189 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.364 -11.822 -2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -0.210 -11.060 0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -0.402 -12.303 -0.694 1.00 0.00 H new ATOM 542 N HIS A 440 -3.280 -3.613 -0.544 1.00 0.00 N ATOM 543 CA HIS A 440 -4.160 -3.405 0.634 1.00 0.00 C ATOM 544 C HIS A 440 -5.445 -4.216 0.397 1.00 0.00 C ATOM 545 O HIS A 440 -6.361 -3.710 -0.209 1.00 0.00 O ATOM 546 CB HIS A 440 -4.492 -1.903 0.681 1.00 0.00 C ATOM 547 CG HIS A 440 -3.241 -1.063 0.578 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.637 -0.794 -0.642 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.483 -0.411 1.523 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.570 -0.011 -0.402 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.435 0.251 0.902 1.00 0.00 N ATOM 0 H HIS A 440 -3.686 -3.327 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.693 -3.719 1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.170 -1.652 -0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -5.013 -1.672 1.610 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.675 -0.414 2.586 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -0.905 0.360 -1.168 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -0.713 0.818 1.346 1.00 0.00 H new ATOM 559 N ASN A 441 -5.516 -5.435 0.940 1.00 0.00 N ATOM 560 CA ASN A 441 -6.738 -6.357 0.858 1.00 0.00 C ATOM 561 C ASN A 441 -6.305 -7.820 0.636 1.00 0.00 C ATOM 562 O ASN A 441 -6.836 -8.716 1.265 1.00 0.00 O ATOM 563 CB ASN A 441 -7.707 -5.931 -0.285 1.00 0.00 C ATOM 564 CG ASN A 441 -7.026 -5.946 -1.670 1.00 0.00 C ATOM 565 OD1 ASN A 441 -6.573 -6.973 -2.129 1.00 0.00 O ATOM 566 ND2 ASN A 441 -6.972 -4.851 -2.386 1.00 0.00 N ATOM 0 H ASN A 441 -4.741 -5.847 1.460 1.00 0.00 H new ATOM 0 HA ASN A 441 -7.264 -6.272 1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -8.566 -6.602 -0.298 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -8.087 -4.930 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -6.553 -4.870 -3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -7.349 -3.979 -2.014 1.00 0.00 H new ATOM 573 N THR A 442 -5.354 -8.075 -0.253 1.00 0.00 N ATOM 574 CA THR A 442 -4.904 -9.487 -0.520 1.00 0.00 C ATOM 575 C THR A 442 -6.128 -10.421 -0.686 1.00 0.00 C ATOM 576 O THR A 442 -6.333 -11.323 0.105 1.00 0.00 O ATOM 577 CB THR A 442 -4.094 -9.872 0.719 1.00 0.00 C ATOM 578 OG1 THR A 442 -3.074 -8.905 0.934 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.461 -11.249 0.516 1.00 0.00 C ATOM 0 H THR A 442 -4.874 -7.362 -0.802 1.00 0.00 H new ATOM 0 HA THR A 442 -4.321 -9.573 -1.437 1.00 0.00 H new ATOM 0 HB THR A 442 -4.753 -9.906 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 442 -2.555 -9.149 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.885 -11.519 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 442 -4.244 -11.989 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.802 -11.222 -0.352 1.00 0.00 H new ATOM 587 N LEU A 443 -6.959 -10.191 -1.688 1.00 0.00 N ATOM 588 CA LEU A 443 -8.176 -11.049 -1.861 1.00 0.00 C ATOM 589 C LEU A 443 -8.234 -11.674 -3.270 1.00 0.00 C ATOM 590 O LEU A 443 -7.592 -11.194 -4.182 1.00 0.00 O ATOM 591 CB LEU A 443 -9.357 -10.088 -1.659 1.00 0.00 C ATOM 592 CG LEU A 443 -10.073 -10.406 -0.344 1.00 0.00 C ATOM 593 CD1 LEU A 443 -9.348 -9.723 0.817 1.00 0.00 C ATOM 594 CD2 LEU A 443 -11.513 -9.892 -0.419 1.00 0.00 C ATOM 0 H LEU A 443 -6.844 -9.453 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 443 -8.182 -11.883 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -9.000 -9.058 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -10.054 -10.175 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 443 -10.074 -11.484 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -9.861 -9.952 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -8.321 -10.085 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -9.345 -8.644 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -12.028 -10.116 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -11.507 -8.814 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -12.031 -10.380 -1.245 1.00 0.00 H new ATOM 606 N PRO A 444 -9.021 -12.729 -3.404 1.00 0.00 N ATOM 607 CA PRO A 444 -9.167 -13.407 -4.719 1.00 0.00 C ATOM 608 C PRO A 444 -10.060 -12.583 -5.655 1.00 0.00 C ATOM 609 O PRO A 444 -10.547 -11.532 -5.284 1.00 0.00 O ATOM 610 CB PRO A 444 -9.837 -14.734 -4.373 1.00 0.00 C ATOM 611 CG PRO A 444 -10.564 -14.485 -3.091 1.00 0.00 C ATOM 612 CD PRO A 444 -9.833 -13.387 -2.362 1.00 0.00 C ATOM 0 HA PRO A 444 -8.216 -13.535 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -10.523 -15.045 -5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -9.100 -15.529 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -11.596 -14.195 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -10.596 -15.391 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -10.528 -12.687 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -9.207 -13.788 -1.565 1.00 0.00 H new ATOM 620 N VAL A 445 -10.285 -13.051 -6.867 1.00 0.00 N ATOM 621 CA VAL A 445 -11.151 -12.287 -7.815 1.00 0.00 C ATOM 622 C VAL A 445 -12.175 -13.234 -8.458 1.00 0.00 C ATOM 623 O VAL A 445 -12.345 -13.247 -9.661 1.00 0.00 O ATOM 624 CB VAL A 445 -10.197 -11.715 -8.872 1.00 0.00 C ATOM 625 CG1 VAL A 445 -10.985 -10.872 -9.887 1.00 0.00 C ATOM 626 CG2 VAL A 445 -9.142 -10.836 -8.188 1.00 0.00 C ATOM 0 H VAL A 445 -9.906 -13.924 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 445 -11.712 -11.495 -7.319 1.00 0.00 H new ATOM 0 HB VAL A 445 -9.706 -12.537 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -10.301 -10.469 -10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -11.731 -11.497 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -11.482 -10.051 -9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -8.464 -10.430 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -9.635 -10.018 -7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -8.576 -11.435 -7.475 1.00 0.00 H new ATOM 636 N ARG A 446 -12.865 -14.024 -7.659 1.00 0.00 N ATOM 637 CA ARG A 446 -13.894 -14.977 -8.218 1.00 0.00 C ATOM 638 C ARG A 446 -14.539 -15.823 -7.100 1.00 0.00 C ATOM 639 O ARG A 446 -15.742 -16.011 -7.091 1.00 0.00 O ATOM 640 CB ARG A 446 -13.175 -15.895 -9.232 1.00 0.00 C ATOM 641 CG ARG A 446 -11.891 -16.484 -8.631 1.00 0.00 C ATOM 642 CD ARG A 446 -11.034 -17.087 -9.748 1.00 0.00 C ATOM 643 NE ARG A 446 -11.263 -18.563 -9.657 1.00 0.00 N ATOM 644 CZ ARG A 446 -10.750 -19.278 -8.669 1.00 0.00 C ATOM 645 NH1 ARG A 446 -10.027 -18.722 -7.723 1.00 0.00 N ATOM 646 NH2 ARG A 446 -10.966 -20.568 -8.626 1.00 0.00 N ATOM 0 H ARG A 446 -12.761 -14.051 -6.645 1.00 0.00 H new ATOM 0 HA ARG A 446 -14.695 -14.416 -8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -13.843 -16.702 -9.533 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -12.933 -15.329 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -11.332 -15.708 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -12.139 -17.249 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -11.329 -16.701 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -9.980 -16.842 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 446 -11.825 -19.027 -10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -9.850 -17.718 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -9.642 -19.295 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -11.527 -21.016 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -10.574 -21.126 -7.867 1.00 0.00 H new ATOM 660 N ASN A 447 -13.766 -16.336 -6.159 1.00 0.00 N ATOM 661 CA ASN A 447 -14.370 -17.159 -5.067 1.00 0.00 C ATOM 662 C ASN A 447 -14.183 -16.458 -3.713 1.00 0.00 C ATOM 663 O ASN A 447 -13.334 -16.839 -2.928 1.00 0.00 O ATOM 664 CB ASN A 447 -13.613 -18.488 -5.099 1.00 0.00 C ATOM 665 CG ASN A 447 -14.566 -19.629 -4.724 1.00 0.00 C ATOM 666 OD1 ASN A 447 -14.411 -20.244 -3.689 1.00 0.00 O ATOM 667 ND2 ASN A 447 -15.554 -19.945 -5.526 1.00 0.00 N ATOM 0 H ASN A 447 -12.754 -16.218 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 447 -15.442 -17.304 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -13.198 -18.658 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -12.774 -18.458 -4.404 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -16.188 -20.705 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -15.688 -19.431 -6.397 1.00 0.00 H new ATOM 674 N VAL A 448 -14.969 -15.438 -3.429 1.00 0.00 N ATOM 675 CA VAL A 448 -14.817 -14.724 -2.114 1.00 0.00 C ATOM 676 C VAL A 448 -15.812 -15.266 -1.084 1.00 0.00 C ATOM 677 O VAL A 448 -15.476 -15.466 0.068 1.00 0.00 O ATOM 678 CB VAL A 448 -15.081 -13.238 -2.397 1.00 0.00 C ATOM 679 CG1 VAL A 448 -14.877 -12.426 -1.116 1.00 0.00 C ATOM 680 CG2 VAL A 448 -14.108 -12.739 -3.470 1.00 0.00 C ATOM 0 H VAL A 448 -15.699 -15.074 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 448 -13.821 -14.874 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 448 -16.106 -13.117 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -15.065 -11.372 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -15.568 -12.776 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -13.852 -12.551 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -14.297 -11.684 -3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -13.084 -12.864 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -14.251 -13.313 -4.386 1.00 0.00 H new ATOM 690 N LEU A 449 -17.026 -15.500 -1.491 1.00 0.00 N ATOM 691 CA LEU A 449 -18.053 -16.029 -0.540 1.00 0.00 C ATOM 692 C LEU A 449 -19.212 -16.697 -1.303 1.00 0.00 C ATOM 693 O LEU A 449 -20.364 -16.540 -0.945 1.00 0.00 O ATOM 694 CB LEU A 449 -18.553 -14.802 0.222 1.00 0.00 C ATOM 695 CG LEU A 449 -18.907 -15.200 1.656 1.00 0.00 C ATOM 696 CD1 LEU A 449 -18.783 -13.980 2.570 1.00 0.00 C ATOM 697 CD2 LEU A 449 -20.343 -15.725 1.699 1.00 0.00 C ATOM 0 H LEU A 449 -17.357 -15.349 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 449 -17.640 -16.788 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -17.787 -14.027 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -19.427 -14.383 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 449 -18.224 -15.979 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -19.035 -14.264 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -17.760 -13.605 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -19.465 -13.201 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -20.596 -16.009 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -21.026 -14.946 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -20.432 -16.595 1.048 1.00 0.00 H new ATOM 709 N ASP A 450 -18.922 -17.439 -2.358 1.00 0.00 N ATOM 710 CA ASP A 450 -20.010 -18.112 -3.141 1.00 0.00 C ATOM 711 C ASP A 450 -21.091 -17.096 -3.554 1.00 0.00 C ATOM 712 O ASP A 450 -22.271 -17.343 -3.388 1.00 0.00 O ATOM 713 CB ASP A 450 -20.598 -19.168 -2.199 1.00 0.00 C ATOM 714 CG ASP A 450 -19.867 -20.497 -2.403 1.00 0.00 C ATOM 715 OD1 ASP A 450 -18.669 -20.531 -2.178 1.00 0.00 O ATOM 716 OD2 ASP A 450 -20.519 -21.456 -2.781 1.00 0.00 O ATOM 0 H ASP A 450 -17.977 -17.604 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 450 -19.629 -18.556 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -20.500 -18.842 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -21.663 -19.293 -2.395 1.00 0.00 H new ATOM 721 N GLU A 451 -20.701 -15.956 -4.087 1.00 0.00 N ATOM 722 CA GLU A 451 -21.712 -14.937 -4.501 1.00 0.00 C ATOM 723 C GLU A 451 -21.649 -14.715 -6.015 1.00 0.00 C ATOM 724 O GLU A 451 -22.642 -14.972 -6.674 1.00 0.00 O ATOM 725 CB GLU A 451 -21.319 -13.661 -3.751 1.00 0.00 C ATOM 726 CG GLU A 451 -22.575 -12.969 -3.217 1.00 0.00 C ATOM 727 CD GLU A 451 -22.366 -11.454 -3.222 1.00 0.00 C ATOM 728 OE1 GLU A 451 -22.363 -10.879 -4.299 1.00 0.00 O ATOM 729 OE2 GLU A 451 -22.212 -10.894 -2.150 1.00 0.00 O ATOM 730 OXT GLU A 451 -20.607 -14.291 -6.488 1.00 0.00 O ATOM 0 H GLU A 451 -19.729 -15.693 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 451 -22.731 -15.247 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -20.648 -13.904 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -20.777 -12.989 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -23.436 -13.230 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -22.790 -13.313 -2.206 1.00 0.00 H new