USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 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= 0.543 K(o=0.96,f=-0.81) USER MOD Set 1.2: A 413 ASN : amide:sc= 0.42 K(o=0.96,f=-0.75) USER MOD Set 2.1: A 398 TYR OH : rot 30:sc= 0.0422 USER MOD Set 2.2: A 405 LYS NZ :NH3+ -112:sc= 0.507 (180deg=-0.17) USER MOD Set 2.3: A 409 HIS : no HE2:sc= 0.659 K(o=1.3,f=-6.8!) USER MOD Set 2.4: A 410 TYR OH : rot 86:sc= 0.0457 USER MOD Single : A 389 LYS NZ :NH3+ 170:sc= 0.0808 (180deg=0.0285) USER MOD Single : A 390 ASN : amide:sc= -1.55 K(o=-1.5,f=1.6) USER MOD Single : A 393 SER OG : rot 83:sc= 0.417 USER MOD Single : A 397 LYS NZ :NH3+ -179:sc= 0.937 (180deg=0.934) USER MOD Single : A 402 ASN : amide:sc= 0.668 K(o=0.67,f=-0.033) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.22) USER MOD Single : A 414 ASN : amide:sc= -0.0933 K(o=-0.093,f=-0.89) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.311 USER MOD Single : A 417 SER OG : rot 40:sc= 0.183 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -162:sc= 1.17 (180deg=0.92) USER MOD Single : A 426 THR OG1 : rot 81:sc= 0.206 USER MOD Single : A 427 MET CE :methyl 154:sc= -0.54 (180deg=-3!) USER MOD Single : A 428 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.811) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.268 -20.078 13.154 1.00 0.00 N ATOM 72 CA GLN A 381 6.500 -20.643 12.631 1.00 0.00 C ATOM 73 C GLN A 381 6.602 -20.417 11.123 1.00 0.00 C ATOM 74 O GLN A 381 6.199 -21.276 10.334 1.00 0.00 O ATOM 75 CB GLN A 381 6.552 -22.139 12.964 1.00 0.00 C ATOM 76 CG GLN A 381 6.581 -22.385 14.479 1.00 0.00 C ATOM 77 CD GLN A 381 6.269 -23.842 14.790 1.00 0.00 C ATOM 78 OE1 GLN A 381 7.159 -24.613 15.138 1.00 0.00 O ATOM 79 NE2 GLN A 381 5.001 -24.223 14.650 1.00 0.00 N ATOM 0 HA GLN A 381 7.350 -20.144 13.097 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.685 -22.638 12.531 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.436 -22.583 12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.562 -22.124 14.877 1.00 0.00 H new ATOM 0 HG3 GLN A 381 5.855 -21.739 14.972 1.00 0.00 H new ATOM 0 HE21 GLN A 381 4.295 -23.547 14.359 1.00 0.00 H new ATOM 0 HE22 GLN A 381 4.736 -25.191 14.834 1.00 0.00 H new ATOM 88 N ALA A 382 7.161 -19.258 10.751 1.00 0.00 N ATOM 89 CA ALA A 382 7.399 -18.830 9.378 1.00 0.00 C ATOM 90 C ALA A 382 8.045 -19.965 8.587 1.00 0.00 C ATOM 91 O ALA A 382 9.052 -20.524 9.022 1.00 0.00 O ATOM 92 CB ALA A 382 8.300 -17.593 9.383 1.00 0.00 C ATOM 0 H ALA A 382 7.471 -18.567 11.434 1.00 0.00 H new ATOM 0 HA ALA A 382 6.452 -18.575 8.902 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.480 -17.270 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 382 7.813 -16.790 9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.250 -17.837 9.859 1.00 0.00 H new ATOM 98 N TRP A 383 7.464 -20.316 7.438 1.00 0.00 N ATOM 99 CA TRP A 383 7.972 -21.395 6.611 1.00 0.00 C ATOM 100 C TRP A 383 9.347 -21.042 6.038 1.00 0.00 C ATOM 101 O TRP A 383 9.623 -19.886 5.722 1.00 0.00 O ATOM 102 CB TRP A 383 6.993 -21.691 5.475 1.00 0.00 C ATOM 103 CG TRP A 383 5.700 -22.375 5.817 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.820 -22.029 6.784 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.127 -23.550 5.178 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.742 -22.890 6.782 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.883 -23.853 5.805 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.534 -24.392 4.124 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.088 -24.935 5.405 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.753 -25.486 3.722 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.534 -25.754 4.362 1.00 0.00 C ATOM 0 H TRP A 383 6.633 -19.859 7.062 1.00 0.00 H new ATOM 0 HA TRP A 383 8.077 -22.283 7.234 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.752 -20.746 4.988 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.511 -22.306 4.739 1.00 0.00 H new ATOM 0 HD1 TRP A 383 4.944 -21.197 7.461 1.00 0.00 H new ATOM 0 HE1 TRP A 383 2.947 -22.823 7.418 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.465 -24.191 3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.146 -25.134 5.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.091 -26.123 2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 383 2.936 -26.597 4.048 1.00 0.00 H new ATOM 122 N LEU A 384 10.199 -22.063 5.900 1.00 0.00 N ATOM 123 CA LEU A 384 11.544 -21.960 5.350 1.00 0.00 C ATOM 124 C LEU A 384 11.494 -22.474 3.911 1.00 0.00 C ATOM 125 O LEU A 384 10.517 -23.127 3.535 1.00 0.00 O ATOM 126 CB LEU A 384 12.526 -22.799 6.182 1.00 0.00 C ATOM 127 CG LEU A 384 12.631 -22.349 7.652 1.00 0.00 C ATOM 128 CD1 LEU A 384 11.607 -23.051 8.559 1.00 0.00 C ATOM 129 CD2 LEU A 384 14.035 -22.666 8.180 1.00 0.00 C ATOM 0 H LEU A 384 9.958 -23.014 6.179 1.00 0.00 H new ATOM 0 HA LEU A 384 11.888 -20.926 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.215 -23.843 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.514 -22.747 5.724 1.00 0.00 H new ATOM 0 HG LEU A 384 12.427 -21.278 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 384 11.725 -22.697 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 384 10.599 -22.826 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 384 11.770 -24.128 8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 384 14.113 -22.349 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.215 -23.739 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.777 -22.136 7.583 1.00 0.00 H new ATOM 141 N TRP A 385 12.526 -22.211 3.089 1.00 0.00 N ATOM 142 CA TRP A 385 12.464 -22.720 1.725 1.00 0.00 C ATOM 143 C TRP A 385 12.413 -24.231 1.706 1.00 0.00 C ATOM 144 O TRP A 385 11.826 -24.755 0.782 1.00 0.00 O ATOM 145 CB TRP A 385 13.510 -22.202 0.735 1.00 0.00 C ATOM 146 CG TRP A 385 14.922 -22.678 0.881 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.900 -21.868 1.298 1.00 0.00 C ATOM 148 CD2 TRP A 385 15.567 -23.970 0.638 1.00 0.00 C ATOM 149 NE1 TRP A 385 17.105 -22.532 1.354 1.00 0.00 N ATOM 150 CE2 TRP A 385 16.954 -23.844 0.955 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.139 -25.237 0.185 1.00 0.00 C ATOM 152 CZ2 TRP A 385 17.856 -24.912 0.836 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.032 -26.315 0.063 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.389 -26.157 0.389 1.00 0.00 C ATOM 0 H TRP A 385 13.362 -21.680 3.333 1.00 0.00 H new ATOM 0 HA TRP A 385 11.530 -22.300 1.352 1.00 0.00 H new ATOM 0 HB2 TRP A 385 13.174 -22.460 -0.269 1.00 0.00 H new ATOM 0 HB3 TRP A 385 13.518 -21.114 0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 385 15.763 -20.829 1.557 1.00 0.00 H new ATOM 0 HE1 TRP A 385 17.986 -22.112 1.649 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.100 -25.381 -0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.898 -24.777 1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 15.672 -27.272 -0.284 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.070 -26.990 0.296 1.00 0.00 H new ATOM 165 N GLU A 386 12.979 -24.971 2.665 1.00 0.00 N ATOM 166 CA GLU A 386 12.839 -26.416 2.562 1.00 0.00 C ATOM 167 C GLU A 386 11.359 -26.777 2.494 1.00 0.00 C ATOM 168 O GLU A 386 10.964 -27.549 1.628 1.00 0.00 O ATOM 169 CB GLU A 386 13.530 -27.163 3.703 1.00 0.00 C ATOM 170 CG GLU A 386 15.055 -27.134 3.589 1.00 0.00 C ATOM 171 CD GLU A 386 15.683 -28.133 4.555 1.00 0.00 C ATOM 172 OE1 GLU A 386 15.349 -29.333 4.419 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.467 -27.685 5.415 1.00 0.00 O ATOM 0 H GLU A 386 13.503 -24.620 3.467 1.00 0.00 H new ATOM 0 HA GLU A 386 13.339 -26.733 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.232 -26.721 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 386 13.190 -28.199 3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 386 15.354 -27.370 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 386 15.422 -26.131 3.805 1.00 0.00 H new ATOM 180 N GLU A 387 10.549 -26.188 3.372 1.00 0.00 N ATOM 181 CA GLU A 387 9.121 -26.416 3.383 1.00 0.00 C ATOM 182 C GLU A 387 8.476 -25.905 2.087 1.00 0.00 C ATOM 183 O GLU A 387 7.806 -26.669 1.398 1.00 0.00 O ATOM 184 CB GLU A 387 8.510 -25.778 4.634 1.00 0.00 C ATOM 185 CG GLU A 387 9.201 -26.236 5.922 1.00 0.00 C ATOM 186 CD GLU A 387 8.293 -25.996 7.120 1.00 0.00 C ATOM 187 OE1 GLU A 387 8.254 -24.848 7.614 1.00 0.00 O ATOM 188 OE2 GLU A 387 7.595 -26.961 7.500 1.00 0.00 O ATOM 0 H GLU A 387 10.872 -25.541 4.092 1.00 0.00 H new ATOM 0 HA GLU A 387 8.922 -27.487 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 387 8.578 -24.693 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.450 -26.028 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.451 -27.295 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.138 -25.695 6.053 1.00 0.00 H new ATOM 195 N ASP A 388 8.664 -24.624 1.742 1.00 0.00 N ATOM 196 CA ASP A 388 8.067 -24.030 0.543 1.00 0.00 C ATOM 197 C ASP A 388 8.511 -24.716 -0.749 1.00 0.00 C ATOM 198 O ASP A 388 7.681 -25.165 -1.537 1.00 0.00 O ATOM 199 CB ASP A 388 8.402 -22.535 0.448 1.00 0.00 C ATOM 200 CG ASP A 388 7.816 -21.706 1.580 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.768 -22.112 2.120 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.390 -20.632 1.857 1.00 0.00 O ATOM 0 H ASP A 388 9.232 -23.974 2.285 1.00 0.00 H new ATOM 0 HA ASP A 388 6.991 -24.171 0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.485 -22.414 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.034 -22.149 -0.502 1.00 0.00 H new ATOM 207 N LYS A 389 9.827 -24.777 -0.969 1.00 0.00 N ATOM 208 CA LYS A 389 10.474 -25.369 -2.126 1.00 0.00 C ATOM 209 C LYS A 389 9.942 -26.799 -2.291 1.00 0.00 C ATOM 210 O LYS A 389 9.502 -27.176 -3.377 1.00 0.00 O ATOM 211 CB LYS A 389 12.014 -25.295 -1.955 1.00 0.00 C ATOM 212 CG LYS A 389 12.783 -25.614 -3.244 1.00 0.00 C ATOM 213 CD LYS A 389 12.898 -24.425 -4.214 1.00 0.00 C ATOM 214 CE LYS A 389 13.568 -23.174 -3.622 1.00 0.00 C ATOM 215 NZ LYS A 389 14.829 -23.482 -2.917 1.00 0.00 N ATOM 0 H LYS A 389 10.499 -24.392 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 389 10.245 -24.824 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.287 -24.296 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.320 -25.992 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.785 -25.955 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.289 -26.440 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 389 13.463 -24.742 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 389 11.899 -24.157 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 389 13.769 -22.461 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 389 12.878 -22.691 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 15.323 -22.596 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 14.619 -24.000 -2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 15.434 -24.067 -3.528 1.00 0.00 H new ATOM 229 N ASN A 390 9.957 -27.586 -1.205 1.00 0.00 N ATOM 230 CA ASN A 390 9.459 -28.954 -1.214 1.00 0.00 C ATOM 231 C ASN A 390 7.967 -29.022 -1.547 1.00 0.00 C ATOM 232 O ASN A 390 7.567 -29.851 -2.358 1.00 0.00 O ATOM 233 CB ASN A 390 9.715 -29.611 0.141 1.00 0.00 C ATOM 234 CG ASN A 390 9.151 -31.018 0.180 1.00 0.00 C ATOM 235 OD1 ASN A 390 9.596 -31.880 -0.568 1.00 0.00 O ATOM 236 ND2 ASN A 390 8.161 -31.239 1.044 1.00 0.00 N ATOM 0 H ASN A 390 10.317 -27.284 -0.299 1.00 0.00 H new ATOM 0 HA ASN A 390 9.997 -29.492 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 390 10.787 -29.640 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.262 -29.012 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 390 7.735 -32.164 1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 390 7.829 -30.484 1.644 1.00 0.00 H new ATOM 243 N LEU A 391 7.143 -28.171 -0.926 1.00 0.00 N ATOM 244 CA LEU A 391 5.703 -28.143 -1.147 1.00 0.00 C ATOM 245 C LEU A 391 5.394 -27.915 -2.624 1.00 0.00 C ATOM 246 O LEU A 391 4.679 -28.703 -3.238 1.00 0.00 O ATOM 247 CB LEU A 391 5.063 -27.050 -0.277 1.00 0.00 C ATOM 248 CG LEU A 391 3.540 -26.958 -0.455 1.00 0.00 C ATOM 249 CD1 LEU A 391 2.874 -28.285 -0.078 1.00 0.00 C ATOM 250 CD2 LEU A 391 2.987 -25.819 0.407 1.00 0.00 C ATOM 0 H LEU A 391 7.465 -27.478 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 391 5.280 -29.106 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.290 -27.248 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.511 -26.088 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 391 3.318 -26.751 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 391 1.795 -28.201 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.257 -29.079 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.095 -28.520 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 391 1.906 -25.757 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.217 -26.011 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.444 -24.877 0.102 1.00 0.00 H new ATOM 262 N ARG A 392 5.944 -26.835 -3.184 1.00 0.00 N ATOM 263 CA ARG A 392 5.780 -26.448 -4.578 1.00 0.00 C ATOM 264 C ARG A 392 6.178 -27.629 -5.470 1.00 0.00 C ATOM 265 O ARG A 392 5.421 -28.019 -6.361 1.00 0.00 O ATOM 266 CB ARG A 392 6.627 -25.191 -4.833 1.00 0.00 C ATOM 267 CG ARG A 392 6.058 -24.000 -4.041 1.00 0.00 C ATOM 268 CD ARG A 392 7.078 -22.883 -3.808 1.00 0.00 C ATOM 269 NE ARG A 392 7.462 -22.210 -5.055 1.00 0.00 N ATOM 270 CZ ARG A 392 8.119 -21.039 -5.110 1.00 0.00 C ATOM 271 NH1 ARG A 392 8.488 -20.412 -3.984 1.00 0.00 N ATOM 272 NH2 ARG A 392 8.411 -20.498 -6.299 1.00 0.00 N ATOM 0 H ARG A 392 6.533 -26.189 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 392 4.744 -26.203 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.660 -25.373 -4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 392 6.636 -24.959 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 392 5.201 -23.593 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.692 -24.355 -3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 392 6.660 -22.151 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 392 7.967 -23.299 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 392 7.214 -22.660 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 392 8.270 -20.823 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 392 8.986 -19.524 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 392 8.135 -20.974 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 392 8.909 -19.609 -6.346 1.00 0.00 H new ATOM 286 N SER A 393 7.351 -28.222 -5.210 1.00 0.00 N ATOM 287 CA SER A 393 7.828 -29.383 -5.947 1.00 0.00 C ATOM 288 C SER A 393 6.810 -30.524 -5.877 1.00 0.00 C ATOM 289 O SER A 393 6.505 -31.125 -6.906 1.00 0.00 O ATOM 290 CB SER A 393 9.195 -29.821 -5.413 1.00 0.00 C ATOM 291 OG SER A 393 10.158 -28.841 -5.742 1.00 0.00 O ATOM 0 H SER A 393 7.990 -27.905 -4.481 1.00 0.00 H new ATOM 0 HA SER A 393 7.945 -29.111 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.150 -29.956 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.476 -30.783 -5.843 1.00 0.00 H new ATOM 0 HG SER A 393 10.131 -28.120 -5.079 1.00 0.00 H new ATOM 297 N GLY A 394 6.294 -30.808 -4.678 1.00 0.00 N ATOM 298 CA GLY A 394 5.313 -31.845 -4.408 1.00 0.00 C ATOM 299 C GLY A 394 4.048 -31.645 -5.231 1.00 0.00 C ATOM 300 O GLY A 394 3.593 -32.576 -5.894 1.00 0.00 O ATOM 0 H GLY A 394 6.564 -30.296 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.743 -32.821 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.062 -31.843 -3.347 1.00 0.00 H new ATOM 304 N VAL A 395 3.496 -30.426 -5.206 1.00 0.00 N ATOM 305 CA VAL A 395 2.312 -30.084 -5.981 1.00 0.00 C ATOM 306 C VAL A 395 2.615 -30.357 -7.455 1.00 0.00 C ATOM 307 O VAL A 395 1.768 -30.887 -8.163 1.00 0.00 O ATOM 308 CB VAL A 395 1.883 -28.630 -5.717 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.755 -28.199 -6.666 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.369 -28.483 -4.279 1.00 0.00 C ATOM 0 H VAL A 395 3.862 -29.655 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 395 1.464 -30.699 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 395 2.758 -28.001 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.475 -27.167 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.098 -28.277 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -0.110 -28.847 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.068 -27.450 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.513 -29.140 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.160 -28.754 -3.580 1.00 0.00 H new ATOM 320 N ARG A 396 3.825 -30.027 -7.923 1.00 0.00 N ATOM 321 CA ARG A 396 4.196 -30.296 -9.306 1.00 0.00 C ATOM 322 C ARG A 396 4.352 -31.803 -9.583 1.00 0.00 C ATOM 323 O ARG A 396 4.118 -32.248 -10.705 1.00 0.00 O ATOM 324 CB ARG A 396 5.448 -29.492 -9.709 1.00 0.00 C ATOM 325 CG ARG A 396 5.140 -28.402 -10.752 1.00 0.00 C ATOM 326 CD ARG A 396 5.094 -28.940 -12.191 1.00 0.00 C ATOM 327 NE ARG A 396 4.145 -30.050 -12.349 1.00 0.00 N ATOM 328 CZ ARG A 396 2.809 -29.959 -12.428 1.00 0.00 C ATOM 329 NH1 ARG A 396 2.184 -28.798 -12.645 1.00 0.00 N ATOM 330 NH2 ARG A 396 2.077 -31.054 -12.232 1.00 0.00 N ATOM 0 H ARG A 396 4.553 -29.578 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 396 3.376 -29.957 -9.939 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.879 -29.029 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.199 -30.173 -10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 396 4.183 -27.939 -10.513 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.897 -27.621 -10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 396 4.818 -28.132 -12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 396 6.090 -29.274 -12.482 1.00 0.00 H new ATOM 0 HE ARG A 396 4.543 -30.987 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 396 2.725 -27.941 -12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 396 1.166 -28.769 -12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 396 2.534 -31.942 -12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 396 1.060 -31.004 -12.288 1.00 0.00 H new ATOM 344 N LYS A 397 4.753 -32.596 -8.583 1.00 0.00 N ATOM 345 CA LYS A 397 4.942 -34.038 -8.731 1.00 0.00 C ATOM 346 C LYS A 397 3.621 -34.817 -8.771 1.00 0.00 C ATOM 347 O LYS A 397 3.509 -35.750 -9.564 1.00 0.00 O ATOM 348 CB LYS A 397 5.828 -34.601 -7.600 1.00 0.00 C ATOM 349 CG LYS A 397 7.288 -34.905 -7.982 1.00 0.00 C ATOM 350 CD LYS A 397 8.224 -33.693 -7.902 1.00 0.00 C ATOM 351 CE LYS A 397 8.164 -32.806 -9.152 1.00 0.00 C ATOM 352 NZ LYS A 397 8.553 -31.420 -8.845 1.00 0.00 N ATOM 0 H LYS A 397 4.956 -32.251 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 397 5.437 -34.173 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.829 -33.888 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.371 -35.518 -7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.668 -35.688 -7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.311 -35.302 -8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.964 -33.097 -7.027 1.00 0.00 H new ATOM 0 HD3 LYS A 397 9.247 -34.040 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 397 8.825 -33.210 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 397 7.154 -32.820 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 8.486 -30.842 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 7.917 -31.034 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 9.531 -31.404 -8.493 1.00 0.00 H new ATOM 366 N TYR A 398 2.659 -34.486 -7.899 1.00 0.00 N ATOM 367 CA TYR A 398 1.405 -35.235 -7.777 1.00 0.00 C ATOM 368 C TYR A 398 0.127 -34.456 -8.099 1.00 0.00 C ATOM 369 O TYR A 398 -0.937 -35.068 -8.178 1.00 0.00 O ATOM 370 CB TYR A 398 1.327 -35.802 -6.351 1.00 0.00 C ATOM 371 CG TYR A 398 2.643 -36.366 -5.841 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.175 -37.544 -6.396 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.342 -35.701 -4.817 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.400 -38.052 -5.928 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.566 -36.209 -4.349 1.00 0.00 C ATOM 376 CZ TYR A 398 5.096 -37.384 -4.904 1.00 0.00 C ATOM 377 OH TYR A 398 6.287 -37.872 -4.449 1.00 0.00 O ATOM 0 H TYR A 398 2.730 -33.693 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 398 1.441 -36.015 -8.537 1.00 0.00 H new ATOM 0 HB2 TYR A 398 0.994 -35.015 -5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.571 -36.587 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.642 -38.059 -7.182 1.00 0.00 H new ATOM 0 HD2 TYR A 398 2.936 -34.796 -4.389 1.00 0.00 H new ATOM 0 HE1 TYR A 398 4.807 -38.956 -6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.099 -35.695 -3.562 1.00 0.00 H new ATOM 0 HH TYR A 398 6.745 -38.345 -5.175 1.00 0.00 H new ATOM 387 N GLY A 399 0.204 -33.134 -8.263 1.00 0.00 N ATOM 388 CA GLY A 399 -0.953 -32.288 -8.532 1.00 0.00 C ATOM 389 C GLY A 399 -1.547 -31.801 -7.209 1.00 0.00 C ATOM 390 O GLY A 399 -1.244 -32.351 -6.147 1.00 0.00 O ATOM 0 H GLY A 399 1.082 -32.618 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.660 -31.437 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.701 -32.845 -9.096 1.00 0.00 H new ATOM 394 N GLU A 400 -2.398 -30.767 -7.252 1.00 0.00 N ATOM 395 CA GLU A 400 -3.018 -30.237 -6.043 1.00 0.00 C ATOM 396 C GLU A 400 -3.991 -31.276 -5.465 1.00 0.00 C ATOM 397 O GLU A 400 -4.595 -32.044 -6.212 1.00 0.00 O ATOM 398 CB GLU A 400 -3.685 -28.876 -6.324 1.00 0.00 C ATOM 399 CG GLU A 400 -3.920 -28.131 -5.003 1.00 0.00 C ATOM 400 CD GLU A 400 -4.456 -26.709 -5.140 1.00 0.00 C ATOM 401 OE1 GLU A 400 -4.024 -26.002 -6.078 1.00 0.00 O ATOM 402 OE2 GLU A 400 -5.237 -26.316 -4.243 1.00 0.00 O ATOM 0 H GLU A 400 -2.668 -30.287 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.255 -30.050 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.053 -28.279 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.632 -29.025 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.620 -28.708 -4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.979 -28.095 -4.453 1.00 0.00 H new ATOM 409 N GLY A 401 -4.134 -31.308 -4.136 1.00 0.00 N ATOM 410 CA GLY A 401 -5.016 -32.241 -3.446 1.00 0.00 C ATOM 411 C GLY A 401 -4.371 -33.606 -3.239 1.00 0.00 C ATOM 412 O GLY A 401 -5.025 -34.636 -3.387 1.00 0.00 O ATOM 0 H GLY A 401 -3.634 -30.679 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.296 -31.824 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.935 -32.360 -4.020 1.00 0.00 H new ATOM 416 N ASN A 402 -3.083 -33.604 -2.876 1.00 0.00 N ATOM 417 CA ASN A 402 -2.292 -34.798 -2.594 1.00 0.00 C ATOM 418 C ASN A 402 -1.341 -34.470 -1.442 1.00 0.00 C ATOM 419 O ASN A 402 -0.199 -34.925 -1.419 1.00 0.00 O ATOM 420 CB ASN A 402 -1.512 -35.230 -3.846 1.00 0.00 C ATOM 421 CG ASN A 402 -2.422 -35.693 -4.980 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.775 -36.867 -5.051 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.781 -34.781 -5.880 1.00 0.00 N ATOM 0 H ASN A 402 -2.549 -32.741 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 402 -2.941 -35.628 -2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -0.902 -34.397 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.829 -36.037 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.372 -35.047 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.465 -33.816 -5.782 1.00 0.00 H new ATOM 430 N TRP A 403 -1.808 -33.664 -0.484 1.00 0.00 N ATOM 431 CA TRP A 403 -1.021 -33.228 0.662 1.00 0.00 C ATOM 432 C TRP A 403 -0.554 -34.427 1.477 1.00 0.00 C ATOM 433 O TRP A 403 0.575 -34.429 1.962 1.00 0.00 O ATOM 434 CB TRP A 403 -1.788 -32.182 1.477 1.00 0.00 C ATOM 435 CG TRP A 403 -2.558 -31.239 0.611 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.899 -31.225 0.431 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.030 -30.179 -0.227 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.241 -30.232 -0.462 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.119 -29.552 -0.897 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.734 -29.691 -0.492 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.926 -28.485 -1.785 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.533 -28.624 -1.382 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.623 -28.025 -2.026 1.00 0.00 C ATOM 0 H TRP A 403 -2.758 -33.293 -0.487 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.115 -32.730 0.316 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.473 -32.687 2.159 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.086 -31.617 2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.597 -31.892 0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.194 -30.027 -0.762 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.116 -30.144 -0.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.769 -28.023 -2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.467 -28.263 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.460 -27.206 -2.711 1.00 0.00 H new ATOM 454 N SER A 404 -1.405 -35.452 1.587 1.00 0.00 N ATOM 455 CA SER A 404 -1.090 -36.694 2.275 1.00 0.00 C ATOM 456 C SER A 404 0.173 -37.299 1.655 1.00 0.00 C ATOM 457 O SER A 404 1.116 -37.647 2.361 1.00 0.00 O ATOM 458 CB SER A 404 -2.276 -37.657 2.156 1.00 0.00 C ATOM 459 OG SER A 404 -2.687 -37.787 0.805 1.00 0.00 O ATOM 0 H SER A 404 -2.345 -35.435 1.192 1.00 0.00 H new ATOM 0 HA SER A 404 -0.906 -36.506 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 404 -1.998 -38.634 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.107 -37.293 2.760 1.00 0.00 H new ATOM 0 HG SER A 404 -3.444 -38.407 0.752 1.00 0.00 H new ATOM 465 N LYS A 405 0.194 -37.410 0.323 1.00 0.00 N ATOM 466 CA LYS A 405 1.329 -37.952 -0.402 1.00 0.00 C ATOM 467 C LYS A 405 2.566 -37.082 -0.187 1.00 0.00 C ATOM 468 O LYS A 405 3.617 -37.599 0.178 1.00 0.00 O ATOM 469 CB LYS A 405 1.018 -38.076 -1.901 1.00 0.00 C ATOM 470 CG LYS A 405 -0.219 -38.924 -2.229 1.00 0.00 C ATOM 471 CD LYS A 405 -0.187 -40.355 -1.664 1.00 0.00 C ATOM 472 CE LYS A 405 1.118 -41.121 -1.928 1.00 0.00 C ATOM 473 NZ LYS A 405 1.525 -41.088 -3.345 1.00 0.00 N ATOM 0 H LYS A 405 -0.580 -37.124 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 405 1.531 -38.950 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.877 -37.077 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.883 -38.509 -2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.103 -38.416 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -0.329 -38.978 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -0.354 -40.310 -0.588 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -1.016 -40.919 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 405 1.914 -40.695 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 405 0.995 -42.158 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 1.440 -42.041 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 0.910 -40.432 -3.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 2.512 -40.768 -3.415 1.00 0.00 H new ATOM 487 N ILE A 406 2.442 -35.771 -0.415 1.00 0.00 N ATOM 488 CA ILE A 406 3.535 -34.817 -0.267 1.00 0.00 C ATOM 489 C ILE A 406 4.193 -34.972 1.113 1.00 0.00 C ATOM 490 O ILE A 406 5.401 -35.193 1.192 1.00 0.00 O ATOM 491 CB ILE A 406 3.024 -33.389 -0.566 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.589 -33.286 -2.041 1.00 0.00 C ATOM 493 CG2 ILE A 406 4.092 -32.316 -0.313 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.853 -31.986 -2.373 1.00 0.00 C ATOM 0 H ILE A 406 1.566 -35.341 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 406 4.321 -35.020 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 406 2.186 -33.211 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.470 -33.368 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.943 -34.131 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.680 -31.332 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.401 -32.349 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.955 -32.503 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.577 -31.983 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.953 -31.911 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.504 -31.136 -2.166 1.00 0.00 H new ATOM 506 N LEU A 407 3.419 -34.872 2.200 1.00 0.00 N ATOM 507 CA LEU A 407 3.955 -35.004 3.551 1.00 0.00 C ATOM 508 C LEU A 407 4.459 -36.416 3.855 1.00 0.00 C ATOM 509 O LEU A 407 5.382 -36.561 4.650 1.00 0.00 O ATOM 510 CB LEU A 407 2.980 -34.443 4.603 1.00 0.00 C ATOM 511 CG LEU A 407 1.726 -35.290 4.889 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.960 -36.325 6.000 1.00 0.00 C ATOM 513 CD2 LEU A 407 0.571 -34.380 5.325 1.00 0.00 C ATOM 0 H LEU A 407 2.414 -34.699 2.165 1.00 0.00 H new ATOM 0 HA LEU A 407 4.847 -34.381 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 407 3.524 -34.310 5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.658 -33.453 4.278 1.00 0.00 H new ATOM 0 HG LEU A 407 1.486 -35.818 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 407 1.046 -36.896 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 407 2.762 -37.001 5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 407 2.238 -35.813 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -0.313 -34.985 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 407 0.854 -33.840 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 407 0.350 -33.667 4.531 1.00 0.00 H new ATOM 525 N LEU A 408 3.880 -37.456 3.237 1.00 0.00 N ATOM 526 CA LEU A 408 4.308 -38.832 3.464 1.00 0.00 C ATOM 527 C LEU A 408 5.693 -39.061 2.854 1.00 0.00 C ATOM 528 O LEU A 408 6.580 -39.605 3.507 1.00 0.00 O ATOM 529 CB LEU A 408 3.266 -39.800 2.882 1.00 0.00 C ATOM 530 CG LEU A 408 3.652 -41.286 2.967 1.00 0.00 C ATOM 531 CD1 LEU A 408 3.810 -41.754 4.418 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.567 -42.120 2.277 1.00 0.00 C ATOM 0 H LEU A 408 3.111 -37.363 2.574 1.00 0.00 H new ATOM 0 HA LEU A 408 4.384 -39.020 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.321 -39.653 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.094 -39.542 1.837 1.00 0.00 H new ATOM 0 HG LEU A 408 4.614 -41.417 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 408 4.083 -42.809 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 408 4.591 -41.171 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 408 2.869 -41.616 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 408 2.830 -43.176 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 408 1.611 -41.958 2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.486 -41.819 1.232 1.00 0.00 H new ATOM 544 N HIS A 409 5.871 -38.651 1.594 1.00 0.00 N ATOM 545 CA HIS A 409 7.119 -38.805 0.863 1.00 0.00 C ATOM 546 C HIS A 409 8.221 -37.904 1.417 1.00 0.00 C ATOM 547 O HIS A 409 9.370 -38.331 1.510 1.00 0.00 O ATOM 548 CB HIS A 409 6.888 -38.487 -0.622 1.00 0.00 C ATOM 549 CG HIS A 409 5.978 -39.459 -1.330 1.00 0.00 C ATOM 550 ND1 HIS A 409 6.236 -40.820 -1.383 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.805 -39.289 -2.025 1.00 0.00 C ATOM 552 CE1 HIS A 409 5.242 -41.390 -2.086 1.00 0.00 C ATOM 553 NE2 HIS A 409 4.332 -40.507 -2.509 1.00 0.00 N ATOM 0 H HIS A 409 5.137 -38.197 1.051 1.00 0.00 H new ATOM 0 HA HIS A 409 7.447 -39.838 0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.466 -37.485 -0.706 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.851 -38.471 -1.132 1.00 0.00 H new ATOM 0 HD1 HIS A 409 7.033 -41.300 -0.966 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.315 -38.338 -2.176 1.00 0.00 H new ATOM 0 HE1 HIS A 409 5.185 -42.449 -2.288 1.00 0.00 H new ATOM 561 N TYR A 410 7.879 -36.655 1.752 1.00 0.00 N ATOM 562 CA TYR A 410 8.819 -35.655 2.238 1.00 0.00 C ATOM 563 C TYR A 410 8.658 -35.417 3.744 1.00 0.00 C ATOM 564 O TYR A 410 8.363 -36.352 4.484 1.00 0.00 O ATOM 565 CB TYR A 410 8.614 -34.391 1.398 1.00 0.00 C ATOM 566 CG TYR A 410 8.493 -34.614 -0.103 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.411 -35.433 -0.791 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.452 -33.993 -0.819 1.00 0.00 C ATOM 569 CE1 TYR A 410 9.285 -35.627 -2.178 1.00 0.00 C ATOM 570 CE2 TYR A 410 7.328 -34.184 -2.203 1.00 0.00 C ATOM 571 CZ TYR A 410 8.242 -35.002 -2.884 1.00 0.00 C ATOM 572 OH TYR A 410 8.114 -35.183 -4.230 1.00 0.00 O ATOM 0 H TYR A 410 6.921 -36.310 1.689 1.00 0.00 H new ATOM 0 HA TYR A 410 9.848 -35.997 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.713 -33.886 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.449 -33.715 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.214 -35.913 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.744 -33.365 -0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 410 9.990 -36.256 -2.701 1.00 0.00 H new ATOM 0 HE2 TYR A 410 6.528 -33.701 -2.745 1.00 0.00 H new ATOM 0 HH TYR A 410 7.599 -35.999 -4.403 1.00 0.00 H new ATOM 582 N LYS A 411 8.861 -34.173 4.207 1.00 0.00 N ATOM 583 CA LYS A 411 8.743 -33.796 5.610 1.00 0.00 C ATOM 584 C LYS A 411 8.424 -32.305 5.743 1.00 0.00 C ATOM 585 O LYS A 411 8.651 -31.540 4.804 1.00 0.00 O ATOM 586 CB LYS A 411 10.007 -34.195 6.398 1.00 0.00 C ATOM 587 CG LYS A 411 11.138 -33.151 6.467 1.00 0.00 C ATOM 588 CD LYS A 411 11.776 -32.796 5.115 1.00 0.00 C ATOM 589 CE LYS A 411 12.868 -31.736 5.333 1.00 0.00 C ATOM 590 NZ LYS A 411 13.512 -31.315 4.075 1.00 0.00 N ATOM 0 H LYS A 411 9.116 -33.394 3.600 1.00 0.00 H new ATOM 0 HA LYS A 411 7.910 -34.346 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 411 9.709 -34.441 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 411 10.411 -35.105 5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 411 10.744 -32.240 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 411 11.916 -33.524 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 411 12.204 -33.687 4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 411 11.017 -32.418 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 411 12.431 -30.865 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 411 13.625 -32.134 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 14.384 -30.790 4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 13.744 -32.154 3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 12.863 -30.703 3.540 1.00 0.00 H new ATOM 604 N PHE A 412 7.913 -31.906 6.915 1.00 0.00 N ATOM 605 CA PHE A 412 7.557 -30.536 7.263 1.00 0.00 C ATOM 606 C PHE A 412 7.654 -30.368 8.779 1.00 0.00 C ATOM 607 O PHE A 412 7.737 -31.357 9.508 1.00 0.00 O ATOM 608 CB PHE A 412 6.126 -30.219 6.814 1.00 0.00 C ATOM 609 CG PHE A 412 5.914 -30.228 5.316 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.280 -29.104 4.558 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.357 -31.351 4.680 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.087 -29.101 3.167 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.165 -31.346 3.290 1.00 0.00 C ATOM 614 CZ PHE A 412 5.530 -30.220 2.529 1.00 0.00 C ATOM 0 H PHE A 412 7.731 -32.562 7.675 1.00 0.00 H new ATOM 0 HA PHE A 412 8.242 -29.854 6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.449 -30.944 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 412 5.848 -29.238 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 412 6.710 -28.241 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 412 5.077 -32.217 5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 412 6.368 -28.235 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.736 -32.209 2.803 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.382 -30.217 1.459 1.00 0.00 H new ATOM 624 N ASN A 413 7.627 -29.118 9.253 1.00 0.00 N ATOM 625 CA ASN A 413 7.690 -28.775 10.669 1.00 0.00 C ATOM 626 C ASN A 413 6.336 -29.049 11.337 1.00 0.00 C ATOM 627 O ASN A 413 5.637 -28.117 11.729 1.00 0.00 O ATOM 628 CB ASN A 413 8.113 -27.304 10.807 1.00 0.00 C ATOM 629 CG ASN A 413 8.213 -26.859 12.266 1.00 0.00 C ATOM 630 OD1 ASN A 413 8.488 -27.665 13.153 1.00 0.00 O ATOM 631 ND2 ASN A 413 7.983 -25.573 12.527 1.00 0.00 N ATOM 0 H ASN A 413 7.559 -28.302 8.645 1.00 0.00 H new ATOM 0 HA ASN A 413 8.430 -29.394 11.176 1.00 0.00 H new ATOM 0 HB2 ASN A 413 9.077 -27.159 10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 413 7.394 -26.672 10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 413 8.033 -25.231 13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 413 7.757 -24.931 11.767 1.00 0.00 H new ATOM 638 N ASN A 414 5.973 -30.334 11.455 1.00 0.00 N ATOM 639 CA ASN A 414 4.730 -30.816 12.053 1.00 0.00 C ATOM 640 C ASN A 414 3.527 -30.040 11.509 1.00 0.00 C ATOM 641 O ASN A 414 2.859 -29.316 12.246 1.00 0.00 O ATOM 642 CB ASN A 414 4.826 -30.754 13.585 1.00 0.00 C ATOM 643 CG ASN A 414 3.593 -31.351 14.267 1.00 0.00 C ATOM 644 OD1 ASN A 414 2.942 -32.240 13.724 1.00 0.00 O ATOM 645 ND2 ASN A 414 3.269 -30.871 15.467 1.00 0.00 N ATOM 0 H ASN A 414 6.566 -31.094 11.121 1.00 0.00 H new ATOM 0 HA ASN A 414 4.578 -31.859 11.776 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.716 -31.291 13.913 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.946 -29.717 13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 414 2.459 -31.242 15.963 1.00 0.00 H new ATOM 0 HD22 ASN A 414 3.831 -30.132 15.890 1.00 0.00 H new ATOM 652 N ARG A 415 3.271 -30.186 10.204 1.00 0.00 N ATOM 653 CA ARG A 415 2.194 -29.500 9.506 1.00 0.00 C ATOM 654 C ARG A 415 1.135 -30.481 9.009 1.00 0.00 C ATOM 655 O ARG A 415 1.423 -31.653 8.773 1.00 0.00 O ATOM 656 CB ARG A 415 2.786 -28.687 8.355 1.00 0.00 C ATOM 657 CG ARG A 415 3.862 -27.732 8.885 1.00 0.00 C ATOM 658 CD ARG A 415 4.122 -26.650 7.844 1.00 0.00 C ATOM 659 NE ARG A 415 5.230 -25.766 8.226 1.00 0.00 N ATOM 660 CZ ARG A 415 5.135 -24.688 9.022 1.00 0.00 C ATOM 661 NH1 ARG A 415 3.977 -24.437 9.645 1.00 0.00 N ATOM 662 NH2 ARG A 415 6.189 -23.876 9.173 1.00 0.00 N ATOM 0 H ARG A 415 3.820 -30.796 9.599 1.00 0.00 H new ATOM 0 HA ARG A 415 1.692 -28.826 10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.217 -29.356 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 415 1.999 -28.121 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 415 3.537 -27.282 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 415 4.780 -28.280 9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.347 -27.117 6.885 1.00 0.00 H new ATOM 0 HD3 ARG A 415 3.218 -26.057 7.705 1.00 0.00 H new ATOM 0 HE ARG A 415 6.153 -25.990 7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 415 3.181 -25.061 9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 415 3.891 -23.622 10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.061 -24.077 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 415 6.119 -23.057 9.777 1.00 0.00 H new ATOM 676 N THR A 416 -0.094 -29.978 8.864 1.00 0.00 N ATOM 677 CA THR A 416 -1.262 -30.724 8.429 1.00 0.00 C ATOM 678 C THR A 416 -1.591 -30.431 6.966 1.00 0.00 C ATOM 679 O THR A 416 -1.038 -29.515 6.359 1.00 0.00 O ATOM 680 CB THR A 416 -2.459 -30.296 9.294 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.771 -28.937 9.034 1.00 0.00 O ATOM 682 CG2 THR A 416 -2.179 -30.483 10.790 1.00 0.00 C ATOM 0 H THR A 416 -0.303 -28.998 9.056 1.00 0.00 H new ATOM 0 HA THR A 416 -1.057 -31.789 8.532 1.00 0.00 H new ATOM 0 HB THR A 416 -3.304 -30.932 9.032 1.00 0.00 H new ATOM 0 HG1 THR A 416 -3.535 -28.666 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 416 -3.050 -30.169 11.365 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.970 -31.533 10.993 1.00 0.00 H new ATOM 0 HG23 THR A 416 -1.318 -29.880 11.077 1.00 0.00 H new ATOM 690 N SER A 417 -2.540 -31.195 6.419 1.00 0.00 N ATOM 691 CA SER A 417 -3.045 -31.016 5.066 1.00 0.00 C ATOM 692 C SER A 417 -3.609 -29.594 4.930 1.00 0.00 C ATOM 693 O SER A 417 -3.426 -28.945 3.899 1.00 0.00 O ATOM 694 CB SER A 417 -4.087 -32.107 4.801 1.00 0.00 C ATOM 695 OG SER A 417 -4.750 -31.899 3.576 1.00 0.00 O ATOM 0 H SER A 417 -2.983 -31.967 6.917 1.00 0.00 H new ATOM 0 HA SER A 417 -2.260 -31.118 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.600 -33.082 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.815 -32.122 5.612 1.00 0.00 H new ATOM 0 HG SER A 417 -4.106 -31.594 2.903 1.00 0.00 H new ATOM 701 N VAL A 418 -4.271 -29.101 5.988 1.00 0.00 N ATOM 702 CA VAL A 418 -4.824 -27.754 6.028 1.00 0.00 C ATOM 703 C VAL A 418 -3.681 -26.744 5.899 1.00 0.00 C ATOM 704 O VAL A 418 -3.739 -25.882 5.028 1.00 0.00 O ATOM 705 CB VAL A 418 -5.643 -27.514 7.310 1.00 0.00 C ATOM 706 CG1 VAL A 418 -6.356 -26.159 7.222 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.702 -28.599 7.534 1.00 0.00 C ATOM 0 H VAL A 418 -4.434 -29.635 6.841 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.513 -27.628 5.193 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.942 -27.536 8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.934 -25.993 8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -5.617 -25.365 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -7.024 -26.155 6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -7.253 -28.386 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.392 -28.614 6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.215 -29.570 7.621 1.00 0.00 H new ATOM 717 N MET A 419 -2.646 -26.855 6.748 1.00 0.00 N ATOM 718 CA MET A 419 -1.483 -25.967 6.709 1.00 0.00 C ATOM 719 C MET A 419 -0.872 -25.943 5.306 1.00 0.00 C ATOM 720 O MET A 419 -0.587 -24.878 4.760 1.00 0.00 O ATOM 721 CB MET A 419 -0.409 -26.449 7.697 1.00 0.00 C ATOM 722 CG MET A 419 -0.744 -26.240 9.173 1.00 0.00 C ATOM 723 SD MET A 419 -0.580 -24.533 9.750 1.00 0.00 S ATOM 724 CE MET A 419 -0.732 -24.829 11.527 1.00 0.00 C ATOM 0 H MET A 419 -2.597 -27.565 7.479 1.00 0.00 H new ATOM 0 HA MET A 419 -1.819 -24.967 6.982 1.00 0.00 H new ATOM 0 HB2 MET A 419 -0.232 -27.511 7.528 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.524 -25.931 7.476 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.767 -26.573 9.350 1.00 0.00 H new ATOM 0 HG3 MET A 419 -0.093 -26.876 9.773 1.00 0.00 H new ATOM 0 HE1 MET A 419 -0.655 -23.882 12.061 1.00 0.00 H new ATOM 0 HE2 MET A 419 -1.698 -25.288 11.738 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.065 -25.496 11.854 1.00 0.00 H new ATOM 734 N LEU A 420 -0.664 -27.133 4.731 1.00 0.00 N ATOM 735 CA LEU A 420 -0.085 -27.314 3.410 1.00 0.00 C ATOM 736 C LEU A 420 -0.884 -26.552 2.355 1.00 0.00 C ATOM 737 O LEU A 420 -0.318 -25.745 1.616 1.00 0.00 O ATOM 738 CB LEU A 420 0.043 -28.817 3.109 1.00 0.00 C ATOM 739 CG LEU A 420 1.157 -29.442 3.968 1.00 0.00 C ATOM 740 CD1 LEU A 420 0.959 -30.942 4.200 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.515 -29.268 3.291 1.00 0.00 C ATOM 0 H LEU A 420 -0.902 -28.013 5.188 1.00 0.00 H new ATOM 0 HA LEU A 420 0.919 -26.890 3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.904 -29.317 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.263 -28.965 2.052 1.00 0.00 H new ATOM 0 HG LEU A 420 1.116 -28.923 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 420 1.775 -31.326 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.012 -31.109 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 420 0.949 -31.460 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.291 -29.716 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.502 -29.758 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.723 -28.206 3.160 1.00 0.00 H new ATOM 753 N LYS A 421 -2.199 -26.785 2.289 1.00 0.00 N ATOM 754 CA LYS A 421 -3.023 -26.076 1.326 1.00 0.00 C ATOM 755 C LYS A 421 -2.984 -24.575 1.577 1.00 0.00 C ATOM 756 O LYS A 421 -2.811 -23.814 0.634 1.00 0.00 O ATOM 757 CB LYS A 421 -4.471 -26.557 1.353 1.00 0.00 C ATOM 758 CG LYS A 421 -5.256 -25.730 0.316 1.00 0.00 C ATOM 759 CD LYS A 421 -6.619 -26.336 0.020 1.00 0.00 C ATOM 760 CE LYS A 421 -6.460 -27.600 -0.821 1.00 0.00 C ATOM 761 NZ LYS A 421 -6.760 -27.410 -2.254 1.00 0.00 N ATOM 0 H LYS A 421 -2.701 -27.447 2.881 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.608 -26.289 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.526 -27.620 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.898 -26.429 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.384 -24.712 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -4.680 -25.664 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.131 -26.573 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.240 -25.613 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.438 -27.965 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -7.116 -28.374 -0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.930 -28.335 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.608 -26.816 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -5.954 -26.945 -2.719 1.00 0.00 H new ATOM 775 N ASP A 422 -3.165 -24.150 2.829 1.00 0.00 N ATOM 776 CA ASP A 422 -3.167 -22.743 3.209 1.00 0.00 C ATOM 777 C ASP A 422 -1.919 -22.040 2.670 1.00 0.00 C ATOM 778 O ASP A 422 -2.022 -21.007 2.010 1.00 0.00 O ATOM 779 CB ASP A 422 -3.304 -22.609 4.730 1.00 0.00 C ATOM 780 CG ASP A 422 -3.457 -21.159 5.174 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.063 -20.377 4.410 1.00 0.00 O ATOM 782 OD2 ASP A 422 -2.994 -20.864 6.297 1.00 0.00 O ATOM 0 H ASP A 422 -3.316 -24.784 3.614 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.028 -22.248 2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.168 -23.182 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.427 -23.043 5.211 1.00 0.00 H new ATOM 787 N ARG A 423 -0.737 -22.618 2.916 1.00 0.00 N ATOM 788 CA ARG A 423 0.508 -22.059 2.410 1.00 0.00 C ATOM 789 C ARG A 423 0.449 -21.975 0.884 1.00 0.00 C ATOM 790 O ARG A 423 0.800 -20.946 0.313 1.00 0.00 O ATOM 791 CB ARG A 423 1.707 -22.892 2.878 1.00 0.00 C ATOM 792 CG ARG A 423 3.052 -22.285 2.443 1.00 0.00 C ATOM 793 CD ARG A 423 3.358 -20.981 3.189 1.00 0.00 C ATOM 794 NE ARG A 423 4.721 -20.500 2.912 1.00 0.00 N ATOM 795 CZ ARG A 423 5.126 -19.218 2.927 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.284 -18.239 3.273 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.382 -18.905 2.592 1.00 0.00 N ATOM 0 H ARG A 423 -0.624 -23.472 3.463 1.00 0.00 H new ATOM 0 HA ARG A 423 0.637 -21.052 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.685 -22.976 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.622 -23.902 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.851 -23.004 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.034 -22.094 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 423 2.637 -20.218 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 423 3.239 -21.139 4.261 1.00 0.00 H new ATOM 0 HE ARG A 423 5.424 -21.205 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.322 -18.461 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.604 -17.270 3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.037 -19.640 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.686 -17.931 2.605 1.00 0.00 H new ATOM 811 N TRP A 424 -0.002 -23.046 0.216 1.00 0.00 N ATOM 812 CA TRP A 424 -0.113 -23.055 -1.235 1.00 0.00 C ATOM 813 C TRP A 424 -1.083 -21.981 -1.741 1.00 0.00 C ATOM 814 O TRP A 424 -0.827 -21.386 -2.785 1.00 0.00 O ATOM 815 CB TRP A 424 -0.500 -24.446 -1.738 1.00 0.00 C ATOM 816 CG TRP A 424 -0.694 -24.558 -3.220 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.828 -24.969 -3.824 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.246 -24.267 -4.299 1.00 0.00 C ATOM 819 NE1 TRP A 424 -1.665 -24.966 -5.190 1.00 0.00 N ATOM 820 CE2 TRP A 424 -0.403 -24.536 -5.541 1.00 0.00 C ATOM 821 CE3 TRP A 424 1.578 -23.802 -4.365 1.00 0.00 C ATOM 822 CZ2 TRP A 424 0.236 -24.359 -6.776 1.00 0.00 C ATOM 823 CZ3 TRP A 424 2.223 -23.616 -5.601 1.00 0.00 C ATOM 824 CH2 TRP A 424 1.556 -23.891 -6.805 1.00 0.00 C ATOM 0 H TRP A 424 -0.294 -23.914 0.665 1.00 0.00 H new ATOM 0 HA TRP A 424 0.867 -22.809 -1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.273 -25.152 -1.435 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.422 -24.750 -1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.733 -25.258 -3.310 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -2.385 -25.246 -5.857 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.110 -23.586 -3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -0.284 -24.581 -7.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 3.242 -23.258 -5.624 1.00 0.00 H new ATOM 0 HH2 TRP A 424 2.058 -23.742 -7.750 1.00 0.00 H new ATOM 835 N ARG A 425 -2.179 -21.715 -1.019 1.00 0.00 N ATOM 836 CA ARG A 425 -3.154 -20.693 -1.375 1.00 0.00 C ATOM 837 C ARG A 425 -2.447 -19.340 -1.336 1.00 0.00 C ATOM 838 O ARG A 425 -2.550 -18.558 -2.280 1.00 0.00 O ATOM 839 CB ARG A 425 -4.378 -20.735 -0.443 1.00 0.00 C ATOM 840 CG ARG A 425 -5.314 -21.902 -0.797 1.00 0.00 C ATOM 841 CD ARG A 425 -6.392 -22.130 0.272 1.00 0.00 C ATOM 842 NE ARG A 425 -7.187 -20.920 0.542 1.00 0.00 N ATOM 843 CZ ARG A 425 -8.471 -20.694 0.208 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.179 -21.574 -0.513 1.00 0.00 N ATOM 845 NH2 ARG A 425 -9.050 -19.556 0.619 1.00 0.00 N ATOM 0 H ARG A 425 -2.411 -22.214 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.540 -20.873 -2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.047 -20.833 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.924 -19.794 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.793 -21.703 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -4.727 -22.812 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.056 -22.932 -0.052 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -5.918 -22.462 1.196 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.710 -20.168 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -8.746 -22.444 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.151 -21.374 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -8.518 -18.884 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -10.022 -19.363 0.378 1.00 0.00 H new ATOM 859 N THR A 426 -1.706 -19.077 -0.255 1.00 0.00 N ATOM 860 CA THR A 426 -0.944 -17.849 -0.102 1.00 0.00 C ATOM 861 C THR A 426 0.074 -17.716 -1.241 1.00 0.00 C ATOM 862 O THR A 426 0.200 -16.643 -1.822 1.00 0.00 O ATOM 863 CB THR A 426 -0.281 -17.833 1.284 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.288 -17.993 2.262 1.00 0.00 O ATOM 865 CG2 THR A 426 0.463 -16.523 1.552 1.00 0.00 C ATOM 0 H THR A 426 -1.622 -19.715 0.536 1.00 0.00 H new ATOM 0 HA THR A 426 -1.604 -16.984 -0.164 1.00 0.00 H new ATOM 0 HB THR A 426 0.447 -18.643 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.517 -18.942 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.915 -16.558 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 426 1.242 -16.387 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.238 -15.690 1.502 1.00 0.00 H new ATOM 873 N MET A 427 0.798 -18.795 -1.571 1.00 0.00 N ATOM 874 CA MET A 427 1.805 -18.792 -2.627 1.00 0.00 C ATOM 875 C MET A 427 1.181 -18.496 -3.991 1.00 0.00 C ATOM 876 O MET A 427 1.549 -17.507 -4.627 1.00 0.00 O ATOM 877 CB MET A 427 2.588 -20.117 -2.613 1.00 0.00 C ATOM 878 CG MET A 427 4.013 -20.013 -3.188 1.00 0.00 C ATOM 879 SD MET A 427 4.356 -20.614 -4.872 1.00 0.00 S ATOM 880 CE MET A 427 3.643 -19.324 -5.919 1.00 0.00 C ATOM 0 H MET A 427 0.696 -19.697 -1.106 1.00 0.00 H new ATOM 0 HA MET A 427 2.514 -17.987 -2.435 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.648 -20.480 -1.587 1.00 0.00 H new ATOM 0 HB3 MET A 427 2.032 -20.861 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 427 4.302 -18.963 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 427 4.677 -20.549 -2.510 1.00 0.00 H new ATOM 0 HE1 MET A 427 4.156 -19.311 -6.881 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.584 -19.527 -6.076 1.00 0.00 H new ATOM 0 HE3 MET A 427 3.759 -18.355 -5.433 1.00 0.00 H new ATOM 890 N LYS A 428 0.248 -19.346 -4.446 1.00 0.00 N ATOM 891 CA LYS A 428 -0.420 -19.193 -5.734 1.00 0.00 C ATOM 892 C LYS A 428 -1.022 -17.793 -5.877 1.00 0.00 C ATOM 893 O LYS A 428 -0.967 -17.234 -6.968 1.00 0.00 O ATOM 894 CB LYS A 428 -1.386 -20.360 -6.023 1.00 0.00 C ATOM 895 CG LYS A 428 -2.693 -20.309 -5.228 1.00 0.00 C ATOM 896 CD LYS A 428 -3.407 -21.669 -5.137 1.00 0.00 C ATOM 897 CE LYS A 428 -3.853 -22.220 -6.498 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.722 -23.408 -6.358 1.00 0.00 N ATOM 0 H LYS A 428 -0.062 -20.164 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 428 0.322 -19.263 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -1.622 -20.366 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -0.878 -21.299 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -2.483 -19.949 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -3.363 -19.585 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.740 -22.389 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -4.279 -21.570 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.387 -21.443 -7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -2.975 -22.481 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.385 -23.449 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.136 -24.267 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -5.257 -23.344 -5.468 1.00 0.00 H new ATOM 912 N LYS A 429 -1.551 -17.219 -4.786 1.00 0.00 N ATOM 913 CA LYS A 429 -2.099 -15.866 -4.757 1.00 0.00 C ATOM 914 C LYS A 429 -0.972 -14.843 -4.937 1.00 0.00 C ATOM 915 O LYS A 429 -1.056 -13.986 -5.813 1.00 0.00 O ATOM 916 CB LYS A 429 -2.836 -15.637 -3.422 1.00 0.00 C ATOM 917 CG LYS A 429 -3.098 -14.157 -3.083 1.00 0.00 C ATOM 918 CD LYS A 429 -3.901 -14.035 -1.780 1.00 0.00 C ATOM 919 CE LYS A 429 -3.618 -12.730 -1.018 1.00 0.00 C ATOM 920 NZ LYS A 429 -3.912 -11.516 -1.804 1.00 0.00 N ATOM 0 H LYS A 429 -1.608 -17.696 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 429 -2.809 -15.742 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -3.790 -16.164 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.251 -16.083 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -2.150 -13.628 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -3.644 -13.683 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -4.965 -14.092 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -3.668 -14.883 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.213 -12.715 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -2.571 -12.714 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -3.700 -10.673 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.326 -11.509 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -4.917 -11.510 -2.070 1.00 0.00 H new