USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 433 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 381 GLN : amide:sc= 2.46 K(o=5.1,f=1.1) USER MOD Set 1.2: A 413 ASN : amide:sc= 2.25 K(o=5.1,f=1.1) USER MOD Set 1.3: A 414 ASN : amide:sc= 0.403 K(o=5.1,f=4.3) USER MOD Set 2.1: A 393 SER OG : rot -113:sc= 0.741 USER MOD Set 2.2: A 410 TYR OH : rot 130:sc= 0.596 USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.8!) USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 402 ASN : amide:sc= 0.349 K(o=0.35,f=-0.19) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.17) USER MOD Single : A 409 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.27) USER MOD Single : A 411 LYS NZ :NH3+ -144:sc= 2.37 (180deg=0.51) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 80:sc= 0.173 USER MOD Single : A 427 MET CE :methyl -178:sc= 0 (180deg=-0.0114) USER MOD Single : A 428 LYS NZ :NH3+ 172:sc= 0.995 (180deg=0.979) USER MOD Single : A 429 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0165) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.710 -20.244 13.455 1.00 0.00 N ATOM 72 CA GLN A 381 6.841 -20.206 12.534 1.00 0.00 C ATOM 73 C GLN A 381 6.367 -20.285 11.086 1.00 0.00 C ATOM 74 O GLN A 381 5.918 -21.335 10.622 1.00 0.00 O ATOM 75 CB GLN A 381 7.844 -21.325 12.849 1.00 0.00 C ATOM 76 CG GLN A 381 9.178 -21.069 12.123 1.00 0.00 C ATOM 77 CD GLN A 381 9.686 -22.310 11.400 1.00 0.00 C ATOM 78 OE1 GLN A 381 10.206 -23.223 12.035 1.00 0.00 O ATOM 79 NE2 GLN A 381 9.536 -22.345 10.074 1.00 0.00 N ATOM 0 HA GLN A 381 7.352 -19.253 12.667 1.00 0.00 H new ATOM 0 HB2 GLN A 381 8.012 -21.379 13.925 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.434 -22.287 12.542 1.00 0.00 H new ATOM 0 HG2 GLN A 381 9.049 -20.259 11.405 1.00 0.00 H new ATOM 0 HG3 GLN A 381 9.925 -20.739 12.845 1.00 0.00 H new ATOM 0 HE21 GLN A 381 9.097 -21.562 9.590 1.00 0.00 H new ATOM 0 HE22 GLN A 381 9.860 -23.155 9.545 1.00 0.00 H new ATOM 88 N ALA A 382 6.501 -19.166 10.367 1.00 0.00 N ATOM 89 CA ALA A 382 6.137 -19.072 8.965 1.00 0.00 C ATOM 90 C ALA A 382 7.000 -20.006 8.124 1.00 0.00 C ATOM 91 O ALA A 382 8.063 -20.448 8.563 1.00 0.00 O ATOM 92 CB ALA A 382 6.286 -17.622 8.494 1.00 0.00 C ATOM 0 H ALA A 382 6.869 -18.297 10.753 1.00 0.00 H new ATOM 0 HA ALA A 382 5.098 -19.378 8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 382 6.013 -17.552 7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 382 5.632 -16.979 9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 382 7.320 -17.302 8.623 1.00 0.00 H new ATOM 98 N TRP A 383 6.534 -20.317 6.918 1.00 0.00 N ATOM 99 CA TRP A 383 7.243 -21.205 6.017 1.00 0.00 C ATOM 100 C TRP A 383 8.418 -20.468 5.371 1.00 0.00 C ATOM 101 O TRP A 383 8.313 -19.284 5.054 1.00 0.00 O ATOM 102 CB TRP A 383 6.277 -21.720 4.955 1.00 0.00 C ATOM 103 CG TRP A 383 5.182 -22.643 5.412 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.262 -22.411 6.379 1.00 0.00 C ATOM 105 CD2 TRP A 383 4.885 -23.976 4.910 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.426 -23.501 6.510 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.771 -24.501 5.624 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.450 -24.798 3.916 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.255 -25.780 5.363 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.948 -26.083 3.659 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.853 -26.577 4.379 1.00 0.00 C ATOM 0 H TRP A 383 5.656 -19.959 6.543 1.00 0.00 H new ATOM 0 HA TRP A 383 7.640 -22.053 6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 383 5.814 -20.859 4.474 1.00 0.00 H new ATOM 0 HB3 TRP A 383 6.858 -22.237 4.192 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.193 -21.505 6.962 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.654 -23.560 7.174 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.287 -24.432 3.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.403 -26.147 5.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.410 -26.696 2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.472 -27.567 4.176 1.00 0.00 H new ATOM 122 N LEU A 384 9.528 -21.186 5.184 1.00 0.00 N ATOM 123 CA LEU A 384 10.762 -20.704 4.574 1.00 0.00 C ATOM 124 C LEU A 384 11.018 -21.551 3.327 1.00 0.00 C ATOM 125 O LEU A 384 10.216 -22.421 3.002 1.00 0.00 O ATOM 126 CB LEU A 384 11.921 -20.841 5.576 1.00 0.00 C ATOM 127 CG LEU A 384 11.655 -20.180 6.942 1.00 0.00 C ATOM 128 CD1 LEU A 384 12.825 -20.483 7.884 1.00 0.00 C ATOM 129 CD2 LEU A 384 11.486 -18.661 6.818 1.00 0.00 C ATOM 0 H LEU A 384 9.590 -22.164 5.468 1.00 0.00 H new ATOM 0 HA LEU A 384 10.681 -19.652 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.129 -21.900 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 384 12.818 -20.400 5.140 1.00 0.00 H new ATOM 0 HG LEU A 384 10.726 -20.589 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 384 12.642 -20.018 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 384 12.919 -21.561 8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 384 13.747 -20.086 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 384 11.300 -18.234 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 384 12.394 -18.227 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 384 10.643 -18.441 6.162 1.00 0.00 H new ATOM 141 N TRP A 385 12.136 -21.327 2.623 1.00 0.00 N ATOM 142 CA TRP A 385 12.476 -22.103 1.426 1.00 0.00 C ATOM 143 C TRP A 385 12.501 -23.585 1.717 1.00 0.00 C ATOM 144 O TRP A 385 12.206 -24.363 0.828 1.00 0.00 O ATOM 145 CB TRP A 385 13.840 -21.754 0.822 1.00 0.00 C ATOM 146 CG TRP A 385 14.733 -20.975 1.710 1.00 0.00 C ATOM 147 CD1 TRP A 385 14.759 -19.639 1.683 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.686 -21.386 2.731 1.00 0.00 C ATOM 149 NE1 TRP A 385 15.663 -19.161 2.608 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.265 -20.206 3.287 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.117 -22.627 3.246 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.229 -20.260 4.306 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.082 -22.689 4.267 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.638 -21.511 4.798 1.00 0.00 C ATOM 0 H TRP A 385 12.822 -20.611 2.864 1.00 0.00 H new ATOM 0 HA TRP A 385 11.693 -21.843 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.345 -22.679 0.543 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.681 -21.188 -0.096 1.00 0.00 H new ATOM 0 HD1 TRP A 385 14.158 -19.023 1.031 1.00 0.00 H new ATOM 0 HE1 TRP A 385 15.861 -18.173 2.770 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.700 -23.542 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 17.651 -19.351 4.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.399 -23.649 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.378 -21.568 5.583 1.00 0.00 H new ATOM 165 N GLU A 386 12.863 -24.000 2.928 1.00 0.00 N ATOM 166 CA GLU A 386 12.881 -25.426 3.192 1.00 0.00 C ATOM 167 C GLU A 386 11.481 -25.989 2.964 1.00 0.00 C ATOM 168 O GLU A 386 11.278 -26.781 2.044 1.00 0.00 O ATOM 169 CB GLU A 386 13.446 -25.716 4.593 1.00 0.00 C ATOM 170 CG GLU A 386 13.690 -27.214 4.848 1.00 0.00 C ATOM 171 CD GLU A 386 12.421 -27.987 5.208 1.00 0.00 C ATOM 172 OE1 GLU A 386 11.985 -27.849 6.372 1.00 0.00 O ATOM 173 OE2 GLU A 386 11.914 -28.712 4.324 1.00 0.00 O ATOM 0 H GLU A 386 13.135 -23.398 3.706 1.00 0.00 H new ATOM 0 HA GLU A 386 13.553 -25.934 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 386 14.384 -25.175 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 386 12.754 -25.334 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 386 14.136 -27.658 3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.414 -27.324 5.656 1.00 0.00 H new ATOM 180 N GLU A 387 10.517 -25.565 3.780 1.00 0.00 N ATOM 181 CA GLU A 387 9.162 -26.051 3.662 1.00 0.00 C ATOM 182 C GLU A 387 8.530 -25.698 2.305 1.00 0.00 C ATOM 183 O GLU A 387 7.943 -26.560 1.660 1.00 0.00 O ATOM 184 CB GLU A 387 8.328 -25.569 4.854 1.00 0.00 C ATOM 185 CG GLU A 387 8.997 -25.795 6.217 1.00 0.00 C ATOM 186 CD GLU A 387 9.641 -24.533 6.781 1.00 0.00 C ATOM 187 OE1 GLU A 387 10.261 -23.798 5.982 1.00 0.00 O ATOM 188 OE2 GLU A 387 9.467 -24.304 8.002 1.00 0.00 O ATOM 0 H GLU A 387 10.659 -24.885 4.527 1.00 0.00 H new ATOM 0 HA GLU A 387 9.183 -27.140 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.122 -24.505 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.367 -26.083 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 387 8.254 -26.164 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 387 9.756 -26.571 6.119 1.00 0.00 H new ATOM 195 N ASP A 388 8.635 -24.443 1.863 1.00 0.00 N ATOM 196 CA ASP A 388 8.056 -23.966 0.610 1.00 0.00 C ATOM 197 C ASP A 388 8.665 -24.606 -0.635 1.00 0.00 C ATOM 198 O ASP A 388 7.928 -25.040 -1.519 1.00 0.00 O ATOM 199 CB ASP A 388 8.197 -22.443 0.486 1.00 0.00 C ATOM 200 CG ASP A 388 7.315 -21.681 1.459 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.170 -22.132 1.671 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.764 -20.619 1.939 1.00 0.00 O ATOM 0 H ASP A 388 9.135 -23.718 2.377 1.00 0.00 H new ATOM 0 HA ASP A 388 7.007 -24.258 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.238 -22.166 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 388 7.948 -22.143 -0.532 1.00 0.00 H new ATOM 207 N LYS A 389 9.998 -24.649 -0.737 1.00 0.00 N ATOM 208 CA LYS A 389 10.656 -25.213 -1.907 1.00 0.00 C ATOM 209 C LYS A 389 10.328 -26.710 -1.959 1.00 0.00 C ATOM 210 O LYS A 389 10.009 -27.243 -3.025 1.00 0.00 O ATOM 211 CB LYS A 389 12.158 -24.860 -1.915 1.00 0.00 C ATOM 212 CG LYS A 389 12.772 -25.078 -3.305 1.00 0.00 C ATOM 213 CD LYS A 389 14.306 -25.019 -3.274 1.00 0.00 C ATOM 214 CE LYS A 389 14.833 -23.653 -2.817 1.00 0.00 C ATOM 215 NZ LYS A 389 16.306 -23.590 -2.871 1.00 0.00 N ATOM 0 H LYS A 389 10.636 -24.299 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 389 10.283 -24.777 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.292 -23.821 -1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.682 -25.474 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.455 -26.046 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.394 -24.320 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 389 14.682 -25.792 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.695 -25.241 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.412 -22.871 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.497 -23.456 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.625 -22.652 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 16.708 -24.320 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.625 -23.753 -3.847 1.00 0.00 H new ATOM 229 N ASN A 390 10.362 -27.376 -0.794 1.00 0.00 N ATOM 230 CA ASN A 390 10.007 -28.782 -0.670 1.00 0.00 C ATOM 231 C ASN A 390 8.562 -28.979 -1.149 1.00 0.00 C ATOM 232 O ASN A 390 8.290 -29.873 -1.948 1.00 0.00 O ATOM 233 CB ASN A 390 10.204 -29.216 0.789 1.00 0.00 C ATOM 234 CG ASN A 390 9.869 -30.676 1.056 1.00 0.00 C ATOM 235 OD1 ASN A 390 9.687 -31.457 0.129 1.00 0.00 O ATOM 236 ND2 ASN A 390 9.803 -31.042 2.336 1.00 0.00 N ATOM 0 H ASN A 390 10.639 -26.944 0.088 1.00 0.00 H new ATOM 0 HA ASN A 390 10.647 -29.407 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.241 -29.035 1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.583 -28.589 1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 390 9.593 -32.010 2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 390 9.962 -30.354 3.072 1.00 0.00 H new ATOM 243 N LEU A 391 7.634 -28.135 -0.682 1.00 0.00 N ATOM 244 CA LEU A 391 6.225 -28.188 -1.058 1.00 0.00 C ATOM 245 C LEU A 391 6.063 -28.026 -2.564 1.00 0.00 C ATOM 246 O LEU A 391 5.274 -28.750 -3.166 1.00 0.00 O ATOM 247 CB LEU A 391 5.417 -27.135 -0.287 1.00 0.00 C ATOM 248 CG LEU A 391 3.903 -27.189 -0.548 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.297 -28.555 -0.208 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.213 -26.112 0.298 1.00 0.00 C ATOM 0 H LEU A 391 7.849 -27.387 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 391 5.831 -29.168 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.595 -27.266 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.785 -26.144 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 391 3.746 -27.015 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.226 -28.539 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.770 -29.325 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.463 -28.775 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.138 -26.142 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.411 -26.296 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.599 -25.130 0.023 1.00 0.00 H new ATOM 262 N ARG A 392 6.805 -27.098 -3.180 1.00 0.00 N ATOM 263 CA ARG A 392 6.735 -26.892 -4.620 1.00 0.00 C ATOM 264 C ARG A 392 7.089 -28.208 -5.320 1.00 0.00 C ATOM 265 O ARG A 392 6.368 -28.648 -6.218 1.00 0.00 O ATOM 266 CB ARG A 392 7.649 -25.735 -5.063 1.00 0.00 C ATOM 267 CG ARG A 392 7.044 -24.892 -6.198 1.00 0.00 C ATOM 268 CD ARG A 392 6.565 -25.718 -7.401 1.00 0.00 C ATOM 269 NE ARG A 392 5.996 -24.855 -8.447 1.00 0.00 N ATOM 270 CZ ARG A 392 5.053 -25.224 -9.334 1.00 0.00 C ATOM 271 NH1 ARG A 392 4.575 -26.478 -9.355 1.00 0.00 N ATOM 272 NH2 ARG A 392 4.584 -24.327 -10.210 1.00 0.00 N ATOM 0 H ARG A 392 7.459 -26.481 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 392 5.723 -26.603 -4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.851 -25.091 -4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.607 -26.140 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.203 -24.321 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 392 7.788 -24.171 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.400 -26.287 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 392 5.816 -26.440 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 392 6.345 -23.898 -8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 392 4.926 -27.169 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 392 3.860 -26.740 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 392 4.941 -23.372 -10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 392 3.869 -24.599 -10.885 1.00 0.00 H new ATOM 286 N SER A 393 8.187 -28.847 -4.887 1.00 0.00 N ATOM 287 CA SER A 393 8.608 -30.132 -5.432 1.00 0.00 C ATOM 288 C SER A 393 7.473 -31.146 -5.252 1.00 0.00 C ATOM 289 O SER A 393 7.132 -31.861 -6.190 1.00 0.00 O ATOM 290 CB SER A 393 9.913 -30.597 -4.773 1.00 0.00 C ATOM 291 OG SER A 393 10.454 -31.704 -5.469 1.00 0.00 O ATOM 0 H SER A 393 8.798 -28.485 -4.155 1.00 0.00 H new ATOM 0 HA SER A 393 8.815 -30.036 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 393 10.633 -29.779 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.726 -30.869 -3.734 1.00 0.00 H new ATOM 0 HG SER A 393 10.412 -32.501 -4.900 1.00 0.00 H new ATOM 297 N GLY A 394 6.876 -31.186 -4.055 1.00 0.00 N ATOM 298 CA GLY A 394 5.766 -32.060 -3.712 1.00 0.00 C ATOM 299 C GLY A 394 4.608 -31.928 -4.696 1.00 0.00 C ATOM 300 O GLY A 394 4.183 -32.919 -5.282 1.00 0.00 O ATOM 0 H GLY A 394 7.167 -30.590 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 394 6.111 -33.094 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.416 -31.824 -2.707 1.00 0.00 H new ATOM 304 N VAL A 395 4.099 -30.709 -4.881 1.00 0.00 N ATOM 305 CA VAL A 395 2.995 -30.434 -5.787 1.00 0.00 C ATOM 306 C VAL A 395 3.367 -30.809 -7.223 1.00 0.00 C ATOM 307 O VAL A 395 2.560 -31.413 -7.926 1.00 0.00 O ATOM 308 CB VAL A 395 2.553 -28.966 -5.655 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.511 -28.615 -6.724 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.933 -28.723 -4.271 1.00 0.00 C ATOM 0 H VAL A 395 4.448 -29.881 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 395 2.142 -31.054 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 395 3.434 -28.338 -5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 395 1.212 -27.573 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.941 -28.765 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.638 -29.257 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.624 -27.681 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 395 1.065 -29.370 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.669 -28.945 -3.498 1.00 0.00 H new ATOM 320 N ARG A 396 4.577 -30.461 -7.673 1.00 0.00 N ATOM 321 CA ARG A 396 5.017 -30.773 -9.027 1.00 0.00 C ATOM 322 C ARG A 396 5.087 -32.287 -9.268 1.00 0.00 C ATOM 323 O ARG A 396 4.680 -32.765 -10.326 1.00 0.00 O ATOM 324 CB ARG A 396 6.368 -30.096 -9.298 1.00 0.00 C ATOM 325 CG ARG A 396 6.754 -30.206 -10.780 1.00 0.00 C ATOM 326 CD ARG A 396 8.058 -29.458 -11.073 1.00 0.00 C ATOM 327 NE ARG A 396 8.390 -29.532 -12.504 1.00 0.00 N ATOM 328 CZ ARG A 396 9.473 -28.981 -13.077 1.00 0.00 C ATOM 329 NH1 ARG A 396 10.365 -28.311 -12.337 1.00 0.00 N ATOM 330 NH2 ARG A 396 9.659 -29.102 -14.398 1.00 0.00 N ATOM 0 H ARG A 396 5.268 -29.961 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 396 4.281 -30.382 -9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.317 -29.046 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 396 7.140 -30.558 -8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.866 -31.256 -11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.953 -29.800 -11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 396 7.961 -28.415 -10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 396 8.869 -29.886 -10.484 1.00 0.00 H new ATOM 0 HE ARG A 396 7.747 -30.042 -13.109 1.00 0.00 H new ATOM 0 HH11 ARG A 396 10.225 -28.216 -11.331 1.00 0.00 H new ATOM 0 HH12 ARG A 396 11.185 -27.895 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 396 8.980 -29.611 -14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 396 10.480 -28.685 -14.838 1.00 0.00 H new ATOM 344 N LYS A 397 5.618 -33.034 -8.299 1.00 0.00 N ATOM 345 CA LYS A 397 5.803 -34.476 -8.370 1.00 0.00 C ATOM 346 C LYS A 397 4.518 -35.287 -8.201 1.00 0.00 C ATOM 347 O LYS A 397 4.332 -36.279 -8.903 1.00 0.00 O ATOM 348 CB LYS A 397 6.788 -34.905 -7.268 1.00 0.00 C ATOM 349 CG LYS A 397 8.233 -34.442 -7.507 1.00 0.00 C ATOM 350 CD LYS A 397 8.961 -35.349 -8.506 1.00 0.00 C ATOM 351 CE LYS A 397 10.431 -34.928 -8.622 1.00 0.00 C ATOM 352 NZ LYS A 397 11.178 -35.802 -9.547 1.00 0.00 N ATOM 0 H LYS A 397 5.940 -32.635 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 397 6.178 -34.684 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 397 6.444 -34.509 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.774 -35.992 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 397 8.230 -33.418 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 397 8.774 -34.435 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.896 -36.387 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.479 -35.290 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 397 10.488 -33.897 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 397 10.897 -34.958 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 12.168 -35.487 -9.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 11.145 -36.782 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.749 -35.754 -10.493 1.00 0.00 H new ATOM 366 N TYR A 398 3.668 -34.913 -7.236 1.00 0.00 N ATOM 367 CA TYR A 398 2.476 -35.669 -6.865 1.00 0.00 C ATOM 368 C TYR A 398 1.124 -35.028 -7.183 1.00 0.00 C ATOM 369 O TYR A 398 0.106 -35.708 -7.036 1.00 0.00 O ATOM 370 CB TYR A 398 2.629 -36.036 -5.383 1.00 0.00 C ATOM 371 CG TYR A 398 3.965 -36.701 -5.098 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.284 -37.925 -5.718 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.898 -36.097 -4.235 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.524 -38.540 -5.478 1.00 0.00 C ATOM 375 CE2 TYR A 398 6.137 -36.714 -3.996 1.00 0.00 C ATOM 376 CZ TYR A 398 6.452 -37.933 -4.616 1.00 0.00 C ATOM 377 OH TYR A 398 7.658 -38.524 -4.380 1.00 0.00 O ATOM 0 H TYR A 398 3.795 -34.063 -6.686 1.00 0.00 H new ATOM 0 HA TYR A 398 2.435 -36.552 -7.503 1.00 0.00 H new ATOM 0 HB2 TYR A 398 2.534 -35.136 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.820 -36.706 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.572 -38.393 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.661 -35.158 -3.756 1.00 0.00 H new ATOM 0 HE1 TYR A 398 5.763 -39.479 -5.956 1.00 0.00 H new ATOM 0 HE2 TYR A 398 6.850 -36.248 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 398 8.178 -37.970 -3.761 1.00 0.00 H new ATOM 387 N GLY A 399 1.097 -33.767 -7.628 1.00 0.00 N ATOM 388 CA GLY A 399 -0.122 -33.060 -8.001 1.00 0.00 C ATOM 389 C GLY A 399 -0.738 -32.275 -6.844 1.00 0.00 C ATOM 390 O GLY A 399 -0.697 -32.710 -5.693 1.00 0.00 O ATOM 0 H GLY A 399 1.940 -33.203 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 399 0.098 -32.375 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -0.852 -33.779 -8.374 1.00 0.00 H new ATOM 394 N GLU A 400 -1.326 -31.115 -7.162 1.00 0.00 N ATOM 395 CA GLU A 400 -1.982 -30.240 -6.198 1.00 0.00 C ATOM 396 C GLU A 400 -3.225 -30.941 -5.639 1.00 0.00 C ATOM 397 O GLU A 400 -3.881 -31.697 -6.353 1.00 0.00 O ATOM 398 CB GLU A 400 -2.340 -28.907 -6.883 1.00 0.00 C ATOM 399 CG GLU A 400 -2.704 -27.811 -5.873 1.00 0.00 C ATOM 400 CD GLU A 400 -3.057 -26.488 -6.550 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.178 -25.926 -7.242 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.196 -26.013 -6.354 1.00 0.00 O ATOM 0 H GLU A 400 -1.357 -30.757 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.314 -30.023 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -1.497 -28.574 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.178 -29.064 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.548 -28.143 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -1.867 -27.656 -5.192 1.00 0.00 H new ATOM 409 N GLY A 401 -3.543 -30.690 -4.365 1.00 0.00 N ATOM 410 CA GLY A 401 -4.697 -31.275 -3.697 1.00 0.00 C ATOM 411 C GLY A 401 -4.459 -32.729 -3.293 1.00 0.00 C ATOM 412 O GLY A 401 -5.351 -33.564 -3.421 1.00 0.00 O ATOM 0 H GLY A 401 -2.998 -30.068 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -4.936 -30.688 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.562 -31.221 -4.358 1.00 0.00 H new ATOM 416 N ASN A 402 -3.252 -33.027 -2.795 1.00 0.00 N ATOM 417 CA ASN A 402 -2.840 -34.350 -2.337 1.00 0.00 C ATOM 418 C ASN A 402 -1.818 -34.118 -1.223 1.00 0.00 C ATOM 419 O ASN A 402 -0.683 -34.583 -1.292 1.00 0.00 O ATOM 420 CB ASN A 402 -2.224 -35.174 -3.482 1.00 0.00 C ATOM 421 CG ASN A 402 -3.133 -35.363 -4.691 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.874 -36.339 -4.772 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.038 -34.456 -5.661 1.00 0.00 N ATOM 0 H ASN A 402 -2.515 -32.328 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.697 -34.920 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.305 -34.687 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.946 -36.155 -3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.593 -34.558 -6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.410 -33.659 -5.554 1.00 0.00 H new ATOM 430 N TRP A 403 -2.213 -33.356 -0.204 1.00 0.00 N ATOM 431 CA TRP A 403 -1.342 -32.976 0.900 1.00 0.00 C ATOM 432 C TRP A 403 -0.894 -34.176 1.728 1.00 0.00 C ATOM 433 O TRP A 403 0.221 -34.172 2.237 1.00 0.00 O ATOM 434 CB TRP A 403 -1.972 -31.839 1.714 1.00 0.00 C ATOM 435 CG TRP A 403 -2.778 -30.916 0.858 1.00 0.00 C ATOM 436 CD1 TRP A 403 -4.127 -30.859 0.811 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.300 -29.937 -0.109 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.519 -29.915 -0.115 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.431 -29.316 -0.711 1.00 0.00 C ATOM 440 CE3 TRP A 403 -1.025 -29.515 -0.543 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.308 -28.324 -1.693 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.887 -28.520 -1.527 1.00 0.00 C ATOM 443 CH2 TRP A 403 -2.026 -27.928 -2.098 1.00 0.00 C ATOM 0 H TRP A 403 -3.159 -32.982 -0.124 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.414 -32.578 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.609 -32.260 2.492 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.186 -31.274 2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.796 -31.461 1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.490 -29.689 -0.331 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -0.142 -29.963 -0.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -4.186 -27.872 -2.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.098 -28.210 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.913 -27.164 -2.853 1.00 0.00 H new ATOM 454 N SER A 404 -1.732 -35.210 1.848 1.00 0.00 N ATOM 455 CA SER A 404 -1.391 -36.421 2.584 1.00 0.00 C ATOM 456 C SER A 404 -0.277 -37.139 1.824 1.00 0.00 C ATOM 457 O SER A 404 0.760 -37.472 2.389 1.00 0.00 O ATOM 458 CB SER A 404 -2.634 -37.301 2.749 1.00 0.00 C ATOM 459 OG SER A 404 -2.327 -38.484 3.458 1.00 0.00 O ATOM 0 H SER A 404 -2.665 -35.227 1.436 1.00 0.00 H new ATOM 0 HA SER A 404 -1.037 -36.182 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.409 -36.746 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.037 -37.555 1.769 1.00 0.00 H new ATOM 0 HG SER A 404 -3.136 -39.028 3.552 1.00 0.00 H new ATOM 465 N LYS A 405 -0.504 -37.359 0.525 1.00 0.00 N ATOM 466 CA LYS A 405 0.426 -37.997 -0.394 1.00 0.00 C ATOM 467 C LYS A 405 1.778 -37.279 -0.293 1.00 0.00 C ATOM 468 O LYS A 405 2.798 -37.900 0.002 1.00 0.00 O ATOM 469 CB LYS A 405 -0.204 -37.899 -1.791 1.00 0.00 C ATOM 470 CG LYS A 405 0.459 -38.682 -2.927 1.00 0.00 C ATOM 471 CD LYS A 405 -0.327 -38.358 -4.209 1.00 0.00 C ATOM 472 CE LYS A 405 0.237 -39.047 -5.455 1.00 0.00 C ATOM 473 NZ LYS A 405 -0.358 -38.482 -6.684 1.00 0.00 N ATOM 0 H LYS A 405 -1.377 -37.084 0.074 1.00 0.00 H new ATOM 0 HA LYS A 405 0.608 -39.047 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -1.240 -38.230 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -0.225 -36.847 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 405 1.506 -38.397 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 405 0.439 -39.752 -2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.366 -38.658 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -0.324 -37.279 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 405 1.320 -38.928 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 405 0.035 -40.117 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 0.052 -38.953 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -1.387 -38.633 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -0.158 -37.462 -6.730 1.00 0.00 H new ATOM 487 N ILE A 406 1.768 -35.960 -0.516 1.00 0.00 N ATOM 488 CA ILE A 406 2.945 -35.107 -0.449 1.00 0.00 C ATOM 489 C ILE A 406 3.631 -35.239 0.915 1.00 0.00 C ATOM 490 O ILE A 406 4.838 -35.449 0.959 1.00 0.00 O ATOM 491 CB ILE A 406 2.554 -33.653 -0.784 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.186 -33.541 -2.276 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.703 -32.691 -0.456 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.441 -32.244 -2.614 1.00 0.00 C ATOM 0 H ILE A 406 0.917 -35.450 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 406 3.674 -35.428 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 406 1.691 -33.379 -0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.096 -33.597 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.567 -34.393 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.405 -31.671 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.939 -32.755 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.582 -32.962 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.210 -32.224 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.515 -32.196 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.068 -31.388 -2.363 1.00 0.00 H new ATOM 506 N LEU A 407 2.878 -35.124 2.016 1.00 0.00 N ATOM 507 CA LEU A 407 3.392 -35.225 3.379 1.00 0.00 C ATOM 508 C LEU A 407 4.065 -36.579 3.635 1.00 0.00 C ATOM 509 O LEU A 407 5.058 -36.650 4.357 1.00 0.00 O ATOM 510 CB LEU A 407 2.257 -34.943 4.376 1.00 0.00 C ATOM 511 CG LEU A 407 2.653 -35.010 5.861 1.00 0.00 C ATOM 512 CD1 LEU A 407 3.779 -34.029 6.209 1.00 0.00 C ATOM 513 CD2 LEU A 407 1.422 -34.678 6.713 1.00 0.00 C ATOM 0 H LEU A 407 1.873 -34.954 1.978 1.00 0.00 H new ATOM 0 HA LEU A 407 4.169 -34.474 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.852 -33.952 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 407 1.454 -35.659 4.199 1.00 0.00 H new ATOM 0 HG LEU A 407 3.018 -36.017 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 407 4.022 -34.115 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 407 4.662 -34.263 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.455 -33.011 5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 407 1.688 -34.722 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.070 -33.676 6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 407 0.632 -35.400 6.508 1.00 0.00 H new ATOM 525 N LEU A 408 3.540 -37.661 3.049 1.00 0.00 N ATOM 526 CA LEU A 408 4.111 -38.989 3.220 1.00 0.00 C ATOM 527 C LEU A 408 5.441 -39.088 2.474 1.00 0.00 C ATOM 528 O LEU A 408 6.437 -39.534 3.046 1.00 0.00 O ATOM 529 CB LEU A 408 3.118 -40.065 2.758 1.00 0.00 C ATOM 530 CG LEU A 408 1.919 -40.216 3.712 1.00 0.00 C ATOM 531 CD1 LEU A 408 0.773 -40.932 2.990 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.295 -41.008 4.971 1.00 0.00 C ATOM 0 H LEU A 408 2.715 -37.635 2.450 1.00 0.00 H new ATOM 0 HA LEU A 408 4.308 -39.160 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.755 -39.814 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.636 -41.021 2.678 1.00 0.00 H new ATOM 0 HG LEU A 408 1.608 -39.217 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.074 -41.038 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.471 -40.350 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.106 -41.919 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.424 -41.094 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.635 -42.004 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 408 3.093 -40.490 5.502 1.00 0.00 H new ATOM 544 N HIS A 409 5.465 -38.674 1.202 1.00 0.00 N ATOM 545 CA HIS A 409 6.673 -38.713 0.387 1.00 0.00 C ATOM 546 C HIS A 409 7.748 -37.792 0.966 1.00 0.00 C ATOM 547 O HIS A 409 8.844 -38.242 1.294 1.00 0.00 O ATOM 548 CB HIS A 409 6.349 -38.313 -1.056 1.00 0.00 C ATOM 549 CG HIS A 409 5.384 -39.236 -1.753 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.609 -40.597 -1.897 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.175 -39.005 -2.361 1.00 0.00 C ATOM 552 CE1 HIS A 409 4.557 -41.104 -2.564 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.645 -40.183 -2.877 1.00 0.00 N ATOM 0 H HIS A 409 4.648 -38.305 0.715 1.00 0.00 H new ATOM 0 HA HIS A 409 7.059 -39.732 0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 409 5.934 -37.305 -1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.276 -38.277 -1.628 1.00 0.00 H new ATOM 0 HD2 HIS A 409 3.699 -38.038 -2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 409 4.461 -42.149 -2.820 1.00 0.00 H new ATOM 0 HE2 HIS A 409 2.765 -40.312 -3.377 1.00 0.00 H new ATOM 561 N TYR A 410 7.424 -36.505 1.093 1.00 0.00 N ATOM 562 CA TYR A 410 8.288 -35.461 1.613 1.00 0.00 C ATOM 563 C TYR A 410 7.813 -35.058 3.005 1.00 0.00 C ATOM 564 O TYR A 410 6.672 -34.636 3.161 1.00 0.00 O ATOM 565 CB TYR A 410 8.184 -34.219 0.722 1.00 0.00 C ATOM 566 CG TYR A 410 8.846 -34.280 -0.641 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.244 -34.410 -0.744 1.00 0.00 C ATOM 568 CD2 TYR A 410 8.067 -34.184 -1.808 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.858 -34.442 -2.008 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.682 -34.216 -3.072 1.00 0.00 C ATOM 571 CZ TYR A 410 10.076 -34.343 -3.172 1.00 0.00 C ATOM 572 OH TYR A 410 10.660 -34.366 -4.405 1.00 0.00 O ATOM 0 H TYR A 410 6.506 -36.152 0.821 1.00 0.00 H new ATOM 0 HA TYR A 410 9.312 -35.835 1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.127 -33.999 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.611 -33.377 1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.846 -34.485 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.994 -34.085 -1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.931 -34.543 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 410 8.081 -34.143 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 410 10.203 -35.022 -4.971 1.00 0.00 H new ATOM 582 N LYS A 411 8.684 -35.157 4.010 1.00 0.00 N ATOM 583 CA LYS A 411 8.349 -34.732 5.363 1.00 0.00 C ATOM 584 C LYS A 411 8.676 -33.237 5.451 1.00 0.00 C ATOM 585 O LYS A 411 9.529 -32.752 4.706 1.00 0.00 O ATOM 586 CB LYS A 411 9.108 -35.577 6.397 1.00 0.00 C ATOM 587 CG LYS A 411 8.355 -36.871 6.757 1.00 0.00 C ATOM 588 CD LYS A 411 8.063 -37.823 5.584 1.00 0.00 C ATOM 589 CE LYS A 411 9.329 -38.500 5.047 1.00 0.00 C ATOM 590 NZ LYS A 411 9.049 -39.285 3.831 1.00 0.00 N ATOM 0 H LYS A 411 9.628 -35.529 3.909 1.00 0.00 H new ATOM 0 HA LYS A 411 7.293 -34.882 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.093 -35.829 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.266 -34.987 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 411 8.937 -37.412 7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 411 7.409 -36.600 7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 411 7.356 -38.587 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 411 7.584 -37.266 4.779 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.082 -37.743 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 411 9.747 -39.152 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 9.637 -40.143 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 8.044 -39.553 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 9.268 -38.713 2.990 1.00 0.00 H new ATOM 604 N PHE A 412 7.990 -32.512 6.341 1.00 0.00 N ATOM 605 CA PHE A 412 8.165 -31.076 6.527 1.00 0.00 C ATOM 606 C PHE A 412 8.393 -30.739 7.992 1.00 0.00 C ATOM 607 O PHE A 412 8.170 -31.562 8.881 1.00 0.00 O ATOM 608 CB PHE A 412 6.927 -30.314 6.034 1.00 0.00 C ATOM 609 CG PHE A 412 6.633 -30.476 4.559 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.010 -31.636 4.066 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.992 -29.450 3.670 1.00 0.00 C ATOM 612 CE1 PHE A 412 5.752 -31.769 2.692 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.731 -29.587 2.302 1.00 0.00 C ATOM 614 CZ PHE A 412 6.113 -30.742 1.805 1.00 0.00 C ATOM 0 H PHE A 412 7.288 -32.917 6.960 1.00 0.00 H new ATOM 0 HA PHE A 412 9.038 -30.776 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.060 -30.650 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.059 -29.254 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.729 -32.427 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 412 7.469 -28.555 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.275 -32.663 2.317 1.00 0.00 H new ATOM 0 HE2 PHE A 412 7.009 -28.795 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.916 -30.842 0.748 1.00 0.00 H new ATOM 624 N ASN A 413 8.821 -29.497 8.221 1.00 0.00 N ATOM 625 CA ASN A 413 9.087 -28.932 9.529 1.00 0.00 C ATOM 626 C ASN A 413 7.775 -28.699 10.284 1.00 0.00 C ATOM 627 O ASN A 413 7.285 -27.575 10.376 1.00 0.00 O ATOM 628 CB ASN A 413 9.886 -27.642 9.324 1.00 0.00 C ATOM 629 CG ASN A 413 10.078 -26.833 10.599 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.117 -27.377 11.702 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.175 -25.517 10.436 1.00 0.00 N ATOM 0 H ASN A 413 8.997 -28.836 7.464 1.00 0.00 H new ATOM 0 HA ASN A 413 9.673 -29.616 10.143 1.00 0.00 H new ATOM 0 HB2 ASN A 413 10.864 -27.892 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 413 9.377 -27.023 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 413 10.288 -24.910 11.248 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.137 -25.115 9.499 1.00 0.00 H new ATOM 638 N ASN A 414 7.224 -29.783 10.842 1.00 0.00 N ATOM 639 CA ASN A 414 6.010 -29.796 11.649 1.00 0.00 C ATOM 640 C ASN A 414 4.802 -29.190 10.927 1.00 0.00 C ATOM 641 O ASN A 414 4.165 -28.281 11.457 1.00 0.00 O ATOM 642 CB ASN A 414 6.280 -29.097 12.995 1.00 0.00 C ATOM 643 CG ASN A 414 7.465 -29.705 13.742 1.00 0.00 C ATOM 644 OD1 ASN A 414 7.293 -30.640 14.518 1.00 0.00 O ATOM 645 ND2 ASN A 414 8.675 -29.183 13.524 1.00 0.00 N ATOM 0 H ASN A 414 7.633 -30.711 10.736 1.00 0.00 H new ATOM 0 HA ASN A 414 5.744 -30.837 11.832 1.00 0.00 H new ATOM 0 HB2 ASN A 414 6.470 -28.038 12.819 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.389 -29.162 13.620 1.00 0.00 H new ATOM 0 HD21 ASN A 414 9.489 -29.562 14.009 1.00 0.00 H new ATOM 0 HD22 ASN A 414 8.785 -28.406 12.873 1.00 0.00 H new ATOM 652 N ARG A 415 4.479 -29.694 9.728 1.00 0.00 N ATOM 653 CA ARG A 415 3.350 -29.222 8.930 1.00 0.00 C ATOM 654 C ARG A 415 2.375 -30.376 8.674 1.00 0.00 C ATOM 655 O ARG A 415 2.796 -31.468 8.295 1.00 0.00 O ATOM 656 CB ARG A 415 3.839 -28.637 7.601 1.00 0.00 C ATOM 657 CG ARG A 415 5.006 -27.649 7.706 1.00 0.00 C ATOM 658 CD ARG A 415 4.666 -26.374 8.485 1.00 0.00 C ATOM 659 NE ARG A 415 5.755 -25.404 8.325 1.00 0.00 N ATOM 660 CZ ARG A 415 5.849 -24.213 8.946 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.833 -23.717 9.665 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.972 -23.495 8.860 1.00 0.00 N ATOM 0 H ARG A 415 5.003 -30.449 9.284 1.00 0.00 H new ATOM 0 HA ARG A 415 2.834 -28.436 9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.139 -29.459 6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 415 3.003 -28.134 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.848 -28.145 8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.330 -27.375 6.702 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.730 -25.950 8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.522 -26.606 9.540 1.00 0.00 H new ATOM 0 HE ARG A 415 6.509 -25.655 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.964 -24.244 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 415 4.929 -22.812 10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.763 -23.848 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.038 -22.593 9.332 1.00 0.00 H new ATOM 676 N THR A 416 1.077 -30.126 8.879 1.00 0.00 N ATOM 677 CA THR A 416 -0.016 -31.073 8.694 1.00 0.00 C ATOM 678 C THR A 416 -0.677 -30.865 7.327 1.00 0.00 C ATOM 679 O THR A 416 -0.296 -29.962 6.586 1.00 0.00 O ATOM 680 CB THR A 416 -1.066 -30.795 9.782 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.614 -29.505 9.571 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.474 -30.882 11.194 1.00 0.00 C ATOM 0 H THR A 416 0.750 -29.212 9.193 1.00 0.00 H new ATOM 0 HA THR A 416 0.368 -32.091 8.754 1.00 0.00 H new ATOM 0 HB THR A 416 -1.841 -31.558 9.709 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.286 -29.319 10.259 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.253 -30.678 11.928 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.072 -31.882 11.359 1.00 0.00 H new ATOM 0 HG23 THR A 416 0.325 -30.148 11.299 1.00 0.00 H new ATOM 690 N SER A 417 -1.703 -31.671 7.016 1.00 0.00 N ATOM 691 CA SER A 417 -2.484 -31.536 5.789 1.00 0.00 C ATOM 692 C SER A 417 -3.026 -30.104 5.718 1.00 0.00 C ATOM 693 O SER A 417 -2.912 -29.441 4.686 1.00 0.00 O ATOM 694 CB SER A 417 -3.632 -32.559 5.794 1.00 0.00 C ATOM 695 OG SER A 417 -4.543 -32.302 4.745 1.00 0.00 O ATOM 0 H SER A 417 -2.011 -32.437 7.615 1.00 0.00 H new ATOM 0 HA SER A 417 -1.863 -31.730 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.227 -33.566 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.153 -32.522 6.751 1.00 0.00 H new ATOM 0 HG SER A 417 -5.263 -32.966 4.767 1.00 0.00 H new ATOM 701 N VAL A 418 -3.595 -29.629 6.836 1.00 0.00 N ATOM 702 CA VAL A 418 -4.140 -28.286 6.973 1.00 0.00 C ATOM 703 C VAL A 418 -3.059 -27.252 6.658 1.00 0.00 C ATOM 704 O VAL A 418 -3.311 -26.337 5.879 1.00 0.00 O ATOM 705 CB VAL A 418 -4.718 -28.075 8.387 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.209 -26.633 8.585 1.00 0.00 C ATOM 707 CG2 VAL A 418 -5.896 -29.019 8.653 1.00 0.00 C ATOM 0 H VAL A 418 -3.687 -30.187 7.685 1.00 0.00 H new ATOM 0 HA VAL A 418 -4.956 -28.160 6.261 1.00 0.00 H new ATOM 0 HB VAL A 418 -3.908 -28.286 9.085 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.610 -26.520 9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.377 -25.943 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -5.989 -26.411 7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.281 -28.846 9.658 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.685 -28.831 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.561 -30.053 8.566 1.00 0.00 H new ATOM 717 N MET A 419 -1.870 -27.389 7.259 1.00 0.00 N ATOM 718 CA MET A 419 -0.781 -26.445 7.029 1.00 0.00 C ATOM 719 C MET A 419 -0.341 -26.423 5.562 1.00 0.00 C ATOM 720 O MET A 419 -0.239 -25.347 4.979 1.00 0.00 O ATOM 721 CB MET A 419 0.405 -26.752 7.949 1.00 0.00 C ATOM 722 CG MET A 419 0.085 -26.560 9.433 1.00 0.00 C ATOM 723 SD MET A 419 -0.228 -24.843 9.907 1.00 0.00 S ATOM 724 CE MET A 419 -0.295 -25.067 11.697 1.00 0.00 C ATOM 0 H MET A 419 -1.643 -28.144 7.906 1.00 0.00 H new ATOM 0 HA MET A 419 -1.157 -25.450 7.267 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.727 -27.780 7.784 1.00 0.00 H new ATOM 0 HB3 MET A 419 1.242 -26.108 7.679 1.00 0.00 H new ATOM 0 HG2 MET A 419 -0.789 -27.160 9.685 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.916 -26.943 10.025 1.00 0.00 H new ATOM 0 HE1 MET A 419 -0.483 -24.107 12.177 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.098 -25.761 11.947 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.655 -25.469 12.049 1.00 0.00 H new ATOM 734 N LEU A 420 -0.080 -27.592 4.962 1.00 0.00 N ATOM 735 CA LEU A 420 0.341 -27.712 3.566 1.00 0.00 C ATOM 736 C LEU A 420 -0.675 -27.017 2.659 1.00 0.00 C ATOM 737 O LEU A 420 -0.324 -26.129 1.880 1.00 0.00 O ATOM 738 CB LEU A 420 0.472 -29.191 3.161 1.00 0.00 C ATOM 739 CG LEU A 420 1.879 -29.779 3.339 1.00 0.00 C ATOM 740 CD1 LEU A 420 2.235 -30.031 4.804 1.00 0.00 C ATOM 741 CD2 LEU A 420 1.993 -31.106 2.591 1.00 0.00 C ATOM 0 H LEU A 420 -0.157 -28.489 5.441 1.00 0.00 H new ATOM 0 HA LEU A 420 1.315 -27.235 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.231 -29.779 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.178 -29.296 2.117 1.00 0.00 H new ATOM 0 HG LEU A 420 2.572 -29.039 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 420 3.241 -30.447 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 420 2.195 -29.091 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.523 -30.735 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 420 2.995 -31.514 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 420 1.259 -31.810 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 420 1.806 -30.943 1.530 1.00 0.00 H new ATOM 753 N LYS A 421 -1.936 -27.438 2.781 1.00 0.00 N ATOM 754 CA LYS A 421 -3.046 -26.902 2.019 1.00 0.00 C ATOM 755 C LYS A 421 -3.113 -25.384 2.163 1.00 0.00 C ATOM 756 O LYS A 421 -3.075 -24.670 1.165 1.00 0.00 O ATOM 757 CB LYS A 421 -4.343 -27.535 2.537 1.00 0.00 C ATOM 758 CG LYS A 421 -5.593 -26.957 1.855 1.00 0.00 C ATOM 759 CD LYS A 421 -6.775 -26.875 2.822 1.00 0.00 C ATOM 760 CE LYS A 421 -6.598 -25.880 3.979 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.868 -25.681 4.698 1.00 0.00 N ATOM 0 H LYS A 421 -2.211 -28.177 3.428 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.910 -27.136 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.309 -28.612 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.415 -27.379 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.370 -25.963 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.863 -27.579 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.667 -26.600 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.954 -27.866 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.839 -26.249 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.241 -24.926 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.725 -25.005 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -8.583 -25.308 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.194 -26.590 5.085 1.00 0.00 H new ATOM 775 N ASP A 422 -3.245 -24.899 3.402 1.00 0.00 N ATOM 776 CA ASP A 422 -3.375 -23.481 3.672 1.00 0.00 C ATOM 777 C ASP A 422 -2.202 -22.678 3.122 1.00 0.00 C ATOM 778 O ASP A 422 -2.413 -21.615 2.544 1.00 0.00 O ATOM 779 CB ASP A 422 -3.573 -23.213 5.161 1.00 0.00 C ATOM 780 CG ASP A 422 -3.923 -21.746 5.355 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.986 -21.348 4.833 1.00 0.00 O ATOM 782 OD2 ASP A 422 -3.144 -21.041 6.026 1.00 0.00 O ATOM 0 H ASP A 422 -3.264 -25.484 4.237 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.268 -23.143 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.368 -23.846 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.666 -23.460 5.712 1.00 0.00 H new ATOM 787 N ARG A 423 -0.973 -23.177 3.282 1.00 0.00 N ATOM 788 CA ARG A 423 0.197 -22.485 2.774 1.00 0.00 C ATOM 789 C ARG A 423 0.079 -22.311 1.265 1.00 0.00 C ATOM 790 O ARG A 423 0.235 -21.196 0.769 1.00 0.00 O ATOM 791 CB ARG A 423 1.492 -23.225 3.134 1.00 0.00 C ATOM 792 CG ARG A 423 2.724 -22.545 2.511 1.00 0.00 C ATOM 793 CD ARG A 423 2.875 -21.092 2.978 1.00 0.00 C ATOM 794 NE ARG A 423 4.153 -20.518 2.544 1.00 0.00 N ATOM 795 CZ ARG A 423 4.466 -19.212 2.536 1.00 0.00 C ATOM 796 NH1 ARG A 423 3.548 -18.286 2.834 1.00 0.00 N ATOM 797 NH2 ARG A 423 5.711 -18.827 2.236 1.00 0.00 N ATOM 0 H ARG A 423 -0.771 -24.056 3.759 1.00 0.00 H new ATOM 0 HA ARG A 423 0.243 -21.503 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.603 -23.259 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.431 -24.257 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.620 -23.106 2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.641 -22.570 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.054 -20.494 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.806 -21.049 4.065 1.00 0.00 H new ATOM 0 HE ARG A 423 4.868 -21.169 2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 423 2.597 -18.568 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 423 3.799 -17.297 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 423 6.421 -19.525 2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 423 5.951 -17.836 2.229 1.00 0.00 H new ATOM 811 N TRP A 424 -0.194 -23.396 0.530 1.00 0.00 N ATOM 812 CA TRP A 424 -0.314 -23.317 -0.911 1.00 0.00 C ATOM 813 C TRP A 424 -1.482 -22.416 -1.306 1.00 0.00 C ATOM 814 O TRP A 424 -1.364 -21.660 -2.262 1.00 0.00 O ATOM 815 CB TRP A 424 -0.445 -24.719 -1.489 1.00 0.00 C ATOM 816 CG TRP A 424 -0.201 -24.825 -2.961 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.167 -24.928 -3.894 1.00 0.00 C ATOM 818 CD2 TRP A 424 1.063 -24.853 -3.690 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.603 -25.033 -5.147 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.774 -24.996 -5.080 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.427 -24.778 -3.327 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.779 -25.071 -6.055 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.443 -24.852 -4.298 1.00 0.00 C ATOM 824 CH2 TRP A 424 3.122 -25.002 -5.658 1.00 0.00 C ATOM 0 H TRP A 424 -0.333 -24.329 0.917 1.00 0.00 H new ATOM 0 HA TRP A 424 0.586 -22.865 -1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.256 -25.375 -0.972 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.447 -25.091 -1.275 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.228 -24.928 -3.690 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.135 -25.126 -6.012 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.694 -24.662 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.522 -25.180 -7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.478 -24.793 -3.995 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.908 -25.064 -6.396 1.00 0.00 H new ATOM 835 N ARG A 425 -2.598 -22.477 -0.568 1.00 0.00 N ATOM 836 CA ARG A 425 -3.778 -21.655 -0.807 1.00 0.00 C ATOM 837 C ARG A 425 -3.383 -20.178 -0.725 1.00 0.00 C ATOM 838 O ARG A 425 -3.654 -19.417 -1.651 1.00 0.00 O ATOM 839 CB ARG A 425 -4.884 -22.056 0.187 1.00 0.00 C ATOM 840 CG ARG A 425 -6.169 -21.218 0.091 1.00 0.00 C ATOM 841 CD ARG A 425 -6.233 -20.107 1.152 1.00 0.00 C ATOM 842 NE ARG A 425 -6.430 -20.635 2.516 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.603 -20.733 3.166 1.00 0.00 C ATOM 844 NH1 ARG A 425 -8.771 -20.521 2.544 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.605 -21.033 4.467 1.00 0.00 N ATOM 0 H ARG A 425 -2.702 -23.112 0.224 1.00 0.00 H new ATOM 0 HA ARG A 425 -4.182 -21.818 -1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -5.137 -23.104 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.489 -21.976 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -6.233 -20.771 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -7.034 -21.872 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -5.311 -19.527 1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.048 -19.425 0.909 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.598 -20.956 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.785 -20.279 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.646 -20.602 3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.723 -21.185 4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.488 -21.110 4.971 1.00 0.00 H new ATOM 859 N THR A 426 -2.728 -19.782 0.371 1.00 0.00 N ATOM 860 CA THR A 426 -2.250 -18.429 0.617 1.00 0.00 C ATOM 861 C THR A 426 -1.301 -17.997 -0.502 1.00 0.00 C ATOM 862 O THR A 426 -1.564 -17.023 -1.204 1.00 0.00 O ATOM 863 CB THR A 426 -1.546 -18.401 1.986 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.497 -18.579 3.013 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.791 -17.100 2.257 1.00 0.00 C ATOM 0 H THR A 426 -2.511 -20.422 1.135 1.00 0.00 H new ATOM 0 HA THR A 426 -3.085 -17.728 0.630 1.00 0.00 H new ATOM 0 HB THR A 426 -0.816 -19.210 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.708 -19.532 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.320 -17.150 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 426 -0.026 -16.958 1.494 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.488 -16.263 2.232 1.00 0.00 H new ATOM 873 N MET A 427 -0.192 -18.725 -0.651 1.00 0.00 N ATOM 874 CA MET A 427 0.857 -18.508 -1.620 1.00 0.00 C ATOM 875 C MET A 427 0.286 -18.298 -3.025 1.00 0.00 C ATOM 876 O MET A 427 0.585 -17.301 -3.679 1.00 0.00 O ATOM 877 CB MET A 427 1.761 -19.744 -1.518 1.00 0.00 C ATOM 878 CG MET A 427 2.879 -19.736 -2.543 1.00 0.00 C ATOM 879 SD MET A 427 4.063 -18.391 -2.377 1.00 0.00 S ATOM 880 CE MET A 427 4.681 -18.554 -4.053 1.00 0.00 C ATOM 0 H MET A 427 -0.001 -19.530 -0.055 1.00 0.00 H new ATOM 0 HA MET A 427 1.424 -17.599 -1.420 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.191 -19.793 -0.518 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.158 -20.642 -1.651 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.417 -20.682 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 427 2.437 -19.689 -3.538 1.00 0.00 H new ATOM 0 HE1 MET A 427 5.483 -17.834 -4.217 1.00 0.00 H new ATOM 0 HE2 MET A 427 5.063 -19.564 -4.203 1.00 0.00 H new ATOM 0 HE3 MET A 427 3.873 -18.363 -4.759 1.00 0.00 H new ATOM 890 N LYS A 428 -0.534 -19.247 -3.482 1.00 0.00 N ATOM 891 CA LYS A 428 -1.168 -19.237 -4.787 1.00 0.00 C ATOM 892 C LYS A 428 -2.090 -18.028 -4.925 1.00 0.00 C ATOM 893 O LYS A 428 -1.906 -17.220 -5.829 1.00 0.00 O ATOM 894 CB LYS A 428 -1.885 -20.580 -4.978 1.00 0.00 C ATOM 895 CG LYS A 428 -2.492 -20.781 -6.367 1.00 0.00 C ATOM 896 CD LYS A 428 -2.879 -22.260 -6.503 1.00 0.00 C ATOM 897 CE LYS A 428 -3.650 -22.508 -7.800 1.00 0.00 C ATOM 898 NZ LYS A 428 -3.893 -23.948 -8.021 1.00 0.00 N ATOM 0 H LYS A 428 -0.778 -20.068 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.431 -19.132 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -1.178 -21.386 -4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.677 -20.664 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.367 -20.144 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -1.777 -20.501 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -1.981 -22.878 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -3.488 -22.560 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.602 -21.979 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -3.089 -22.100 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.531 -24.072 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -2.990 -24.427 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.329 -24.361 -7.172 1.00 0.00 H new ATOM 912 N LYS A 429 -3.075 -17.892 -4.034 1.00 0.00 N ATOM 913 CA LYS A 429 -4.026 -16.788 -4.047 1.00 0.00 C ATOM 914 C LYS A 429 -3.346 -15.414 -4.108 1.00 0.00 C ATOM 915 O LYS A 429 -3.779 -14.555 -4.874 1.00 0.00 O ATOM 916 CB LYS A 429 -4.934 -16.896 -2.812 1.00 0.00 C ATOM 917 CG LYS A 429 -6.028 -15.819 -2.782 1.00 0.00 C ATOM 918 CD LYS A 429 -6.913 -16.014 -1.543 1.00 0.00 C ATOM 919 CE LYS A 429 -8.067 -15.005 -1.488 1.00 0.00 C ATOM 920 NZ LYS A 429 -7.594 -13.614 -1.357 1.00 0.00 N ATOM 0 H LYS A 429 -3.233 -18.556 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.621 -16.868 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -5.400 -17.881 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -4.326 -16.815 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -5.575 -14.828 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -6.634 -15.877 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -7.318 -17.026 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -6.304 -15.915 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -8.669 -15.097 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -8.716 -15.246 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -8.410 -12.980 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -6.972 -13.536 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -7.067 -13.345 -2.212 1.00 0.00 H new