USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 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 416 THR OG1 : rot 180:sc= -0.16 USER MOD Set 1.2: A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 402 ASN : amide:sc= -0.222 X(o=-0.25,f=-0.15!) USER MOD Set 2.2: A 405 LYS NZ :NH3+ 169:sc= -0.0259 (180deg=-0.191) USER MOD Set 3.1: A 398 TYR OH : rot -106:sc= 0.398 USER MOD Set 3.2: A 409 HIS : no HD1:sc= 0.315 K(o=0.71,f=-0.31) USER MOD Set 4.1: A 393 SER OG : rot 180:sc= 0.232 USER MOD Set 4.2: A 397 LYS NZ :NH3+ -163:sc= 1.62 (180deg=0.337) USER MOD Set 4.3: A 410 TYR OH : rot 110:sc= 0.425 USER MOD Set 5.1: A 381 GLN : amide:sc= 1.21 K(o=3,f=-1.4) USER MOD Set 5.2: A 414 ASN : amide:sc= 1.81 K(o=3,f=-1.4) USER MOD Single : A 389 LYS NZ :NH3+ -174:sc= 0.0835 (180deg=-0.0196) USER MOD Single : A 390 ASN : amide:sc= 0.454 K(o=0.45,f=-1.6) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ -158:sc= 1.28 (180deg=0.977) USER MOD Single : A 413 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.72) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 78:sc= 0.276 USER MOD Single : A 427 MET CE :methyl -119:sc= -0.07 (180deg=-1.32) USER MOD Single : A 428 LYS NZ :NH3+ -163:sc= 1.31 (180deg=1.2) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.866 -20.837 13.158 1.00 0.00 N ATOM 72 CA GLN A 381 7.009 -21.409 12.482 1.00 0.00 C ATOM 73 C GLN A 381 6.968 -20.932 11.040 1.00 0.00 C ATOM 74 O GLN A 381 6.400 -21.612 10.188 1.00 0.00 O ATOM 75 CB GLN A 381 6.965 -22.936 12.607 1.00 0.00 C ATOM 76 CG GLN A 381 7.173 -23.339 14.072 1.00 0.00 C ATOM 77 CD GLN A 381 6.955 -24.829 14.282 1.00 0.00 C ATOM 78 OE1 GLN A 381 6.040 -25.230 14.998 1.00 0.00 O ATOM 79 NE2 GLN A 381 7.808 -25.662 13.691 1.00 0.00 N ATOM 0 HA GLN A 381 7.951 -21.090 12.927 1.00 0.00 H new ATOM 0 HB2 GLN A 381 6.007 -23.313 12.248 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.738 -23.384 11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 381 8.183 -23.072 14.383 1.00 0.00 H new ATOM 0 HG3 GLN A 381 6.485 -22.778 14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 381 8.556 -25.294 13.103 1.00 0.00 H new ATOM 0 HE22 GLN A 381 7.714 -26.669 13.826 1.00 0.00 H new ATOM 88 N ALA A 382 7.574 -19.770 10.764 1.00 0.00 N ATOM 89 CA ALA A 382 7.641 -19.225 9.413 1.00 0.00 C ATOM 90 C ALA A 382 8.219 -20.320 8.516 1.00 0.00 C ATOM 91 O ALA A 382 9.187 -20.975 8.899 1.00 0.00 O ATOM 92 CB ALA A 382 8.507 -17.964 9.394 1.00 0.00 C ATOM 0 H ALA A 382 8.027 -19.189 11.469 1.00 0.00 H new ATOM 0 HA ALA A 382 6.654 -18.933 9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.549 -17.567 8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.075 -17.216 10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.515 -18.209 9.730 1.00 0.00 H new ATOM 98 N TRP A 383 7.608 -20.558 7.354 1.00 0.00 N ATOM 99 CA TRP A 383 8.045 -21.632 6.481 1.00 0.00 C ATOM 100 C TRP A 383 9.433 -21.359 5.904 1.00 0.00 C ATOM 101 O TRP A 383 9.750 -20.236 5.516 1.00 0.00 O ATOM 102 CB TRP A 383 6.997 -21.923 5.413 1.00 0.00 C ATOM 103 CG TRP A 383 5.697 -22.504 5.901 1.00 0.00 C ATOM 104 CD1 TRP A 383 4.884 -22.000 6.859 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.045 -23.723 5.445 1.00 0.00 C ATOM 106 NE1 TRP A 383 3.785 -22.817 7.033 1.00 0.00 N ATOM 107 CE2 TRP A 383 3.834 -23.898 6.181 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.352 -24.700 4.474 1.00 0.00 C ATOM 109 CZ2 TRP A 383 2.977 -24.987 5.965 1.00 0.00 C ATOM 110 CZ3 TRP A 383 4.500 -25.795 4.252 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.318 -25.938 4.996 1.00 0.00 C ATOM 0 H TRP A 383 6.815 -20.021 7.003 1.00 0.00 H new ATOM 0 HA TRP A 383 8.145 -22.540 7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 383 6.781 -20.995 4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.429 -22.611 4.687 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.069 -21.089 7.409 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.036 -22.643 7.703 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.257 -24.604 3.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.067 -25.090 6.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 4.756 -26.531 3.504 1.00 0.00 H new ATOM 0 HH2 TRP A 383 2.670 -26.784 4.820 1.00 0.00 H new ATOM 122 N LEU A 384 10.256 -22.409 5.885 1.00 0.00 N ATOM 123 CA LEU A 384 11.635 -22.372 5.415 1.00 0.00 C ATOM 124 C LEU A 384 11.710 -22.610 3.905 1.00 0.00 C ATOM 125 O LEU A 384 10.786 -23.162 3.310 1.00 0.00 O ATOM 126 CB LEU A 384 12.457 -23.438 6.164 1.00 0.00 C ATOM 127 CG LEU A 384 13.003 -23.018 7.539 1.00 0.00 C ATOM 128 CD1 LEU A 384 14.150 -22.007 7.414 1.00 0.00 C ATOM 129 CD2 LEU A 384 11.918 -22.466 8.468 1.00 0.00 C ATOM 0 H LEU A 384 9.970 -23.334 6.206 1.00 0.00 H new ATOM 0 HA LEU A 384 12.047 -21.383 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 384 11.835 -24.323 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.297 -23.730 5.534 1.00 0.00 H new ATOM 0 HG LEU A 384 13.390 -23.932 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 384 14.507 -21.737 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 384 14.966 -22.451 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 384 13.793 -21.114 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 384 12.364 -22.187 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 384 11.460 -21.589 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 384 11.157 -23.229 8.632 1.00 0.00 H new ATOM 141 N TRP A 385 12.841 -22.205 3.303 1.00 0.00 N ATOM 142 CA TRP A 385 13.134 -22.363 1.881 1.00 0.00 C ATOM 143 C TRP A 385 12.729 -23.732 1.367 1.00 0.00 C ATOM 144 O TRP A 385 12.091 -23.796 0.329 1.00 0.00 O ATOM 145 CB TRP A 385 14.641 -22.204 1.543 1.00 0.00 C ATOM 146 CG TRP A 385 15.551 -23.325 1.991 1.00 0.00 C ATOM 147 CD1 TRP A 385 15.554 -23.786 3.244 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.511 -24.181 1.302 1.00 0.00 C ATOM 149 NE1 TRP A 385 16.444 -24.808 3.437 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.066 -25.103 2.252 1.00 0.00 C ATOM 151 CE3 TRP A 385 16.962 -24.299 -0.022 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.016 -26.074 1.912 1.00 0.00 C ATOM 153 CZ3 TRP A 385 17.897 -25.289 -0.370 1.00 0.00 C ATOM 154 CH2 TRP A 385 18.430 -26.170 0.582 1.00 0.00 C ATOM 0 H TRP A 385 13.595 -21.746 3.814 1.00 0.00 H new ATOM 0 HA TRP A 385 12.558 -21.571 1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.739 -22.095 0.463 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.996 -21.276 1.991 1.00 0.00 H new ATOM 0 HD1 TRP A 385 14.920 -23.393 4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 385 16.617 -25.278 4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 385 16.588 -23.625 -0.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 18.420 -26.736 2.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 18.214 -25.374 -1.399 1.00 0.00 H new ATOM 0 HH2 TRP A 385 19.154 -26.916 0.289 1.00 0.00 H new ATOM 165 N GLU A 386 13.143 -24.801 2.066 1.00 0.00 N ATOM 166 CA GLU A 386 12.957 -26.170 1.666 1.00 0.00 C ATOM 167 C GLU A 386 11.541 -26.655 1.949 1.00 0.00 C ATOM 168 O GLU A 386 11.083 -27.582 1.294 1.00 0.00 O ATOM 169 CB GLU A 386 14.138 -27.066 2.074 1.00 0.00 C ATOM 170 CG GLU A 386 14.255 -28.318 1.192 1.00 0.00 C ATOM 171 CD GLU A 386 14.840 -29.503 1.951 1.00 0.00 C ATOM 172 OE1 GLU A 386 15.979 -29.347 2.439 1.00 0.00 O ATOM 173 OE2 GLU A 386 14.136 -30.536 2.024 1.00 0.00 O ATOM 0 H GLU A 386 13.633 -24.712 2.956 1.00 0.00 H new ATOM 0 HA GLU A 386 13.005 -26.245 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 386 15.063 -26.493 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.019 -27.368 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 386 13.270 -28.584 0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 386 14.883 -28.095 0.329 1.00 0.00 H new ATOM 180 N GLU A 387 10.811 -26.013 2.869 1.00 0.00 N ATOM 181 CA GLU A 387 9.418 -26.372 3.075 1.00 0.00 C ATOM 182 C GLU A 387 8.677 -25.843 1.844 1.00 0.00 C ATOM 183 O GLU A 387 7.951 -26.588 1.194 1.00 0.00 O ATOM 184 CB GLU A 387 8.861 -25.819 4.390 1.00 0.00 C ATOM 185 CG GLU A 387 9.529 -26.443 5.619 1.00 0.00 C ATOM 186 CD GLU A 387 8.840 -25.967 6.890 1.00 0.00 C ATOM 187 OE1 GLU A 387 9.085 -24.797 7.258 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.047 -26.750 7.463 1.00 0.00 O ATOM 0 H GLU A 387 11.158 -25.262 3.465 1.00 0.00 H new ATOM 0 HA GLU A 387 9.293 -27.450 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.001 -24.738 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 387 7.787 -26.002 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.481 -27.530 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.584 -26.172 5.645 1.00 0.00 H new ATOM 195 N ASP A 388 8.898 -24.570 1.488 1.00 0.00 N ATOM 196 CA ASP A 388 8.314 -23.965 0.294 1.00 0.00 C ATOM 197 C ASP A 388 8.742 -24.775 -0.937 1.00 0.00 C ATOM 198 O ASP A 388 7.919 -25.116 -1.788 1.00 0.00 O ATOM 199 CB ASP A 388 8.794 -22.510 0.141 1.00 0.00 C ATOM 200 CG ASP A 388 8.089 -21.522 1.066 1.00 0.00 C ATOM 201 OD1 ASP A 388 7.741 -21.918 2.197 1.00 0.00 O ATOM 202 OD2 ASP A 388 7.876 -20.375 0.611 1.00 0.00 O ATOM 0 H ASP A 388 9.488 -23.934 2.024 1.00 0.00 H new ATOM 0 HA ASP A 388 7.228 -23.968 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.866 -22.470 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.644 -22.196 -0.892 1.00 0.00 H new ATOM 207 N LYS A 389 10.045 -25.078 -1.012 1.00 0.00 N ATOM 208 CA LYS A 389 10.686 -25.830 -2.078 1.00 0.00 C ATOM 209 C LYS A 389 9.946 -27.158 -2.296 1.00 0.00 C ATOM 210 O LYS A 389 9.445 -27.442 -3.384 1.00 0.00 O ATOM 211 CB LYS A 389 12.180 -26.086 -1.733 1.00 0.00 C ATOM 212 CG LYS A 389 12.902 -26.611 -2.984 1.00 0.00 C ATOM 213 CD LYS A 389 14.202 -27.352 -2.647 1.00 0.00 C ATOM 214 CE LYS A 389 15.279 -26.453 -2.035 1.00 0.00 C ATOM 215 NZ LYS A 389 15.656 -25.352 -2.941 1.00 0.00 N ATOM 0 H LYS A 389 10.706 -24.787 -0.291 1.00 0.00 H new ATOM 0 HA LYS A 389 10.643 -25.250 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.649 -25.165 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.260 -26.809 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.237 -27.281 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 389 13.126 -25.776 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 389 13.979 -28.162 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.595 -27.810 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.916 -26.040 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 389 16.161 -27.050 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.457 -24.827 -2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 15.930 -25.742 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 14.847 -24.710 -3.062 1.00 0.00 H new ATOM 229 N ASN A 390 9.902 -27.973 -1.240 1.00 0.00 N ATOM 230 CA ASN A 390 9.290 -29.289 -1.214 1.00 0.00 C ATOM 231 C ASN A 390 7.789 -29.227 -1.457 1.00 0.00 C ATOM 232 O ASN A 390 7.248 -30.126 -2.094 1.00 0.00 O ATOM 233 CB ASN A 390 9.581 -29.978 0.120 1.00 0.00 C ATOM 234 CG ASN A 390 11.049 -30.375 0.284 1.00 0.00 C ATOM 235 OD1 ASN A 390 11.845 -30.231 -0.643 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.416 -30.874 1.464 1.00 0.00 N ATOM 0 H ASN A 390 10.313 -27.715 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 390 9.728 -29.870 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 390 9.298 -29.312 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 390 8.958 -30.869 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 390 12.385 -31.151 1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 390 10.728 -30.979 2.210 1.00 0.00 H new ATOM 243 N LEU A 391 7.114 -28.184 -0.968 1.00 0.00 N ATOM 244 CA LEU A 391 5.683 -28.025 -1.160 1.00 0.00 C ATOM 245 C LEU A 391 5.403 -27.857 -2.652 1.00 0.00 C ATOM 246 O LEU A 391 4.580 -28.580 -3.215 1.00 0.00 O ATOM 247 CB LEU A 391 5.177 -26.837 -0.332 1.00 0.00 C ATOM 248 CG LEU A 391 3.652 -26.673 -0.386 1.00 0.00 C ATOM 249 CD1 LEU A 391 2.953 -27.917 0.166 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.255 -25.440 0.434 1.00 0.00 C ATOM 0 H LEU A 391 7.548 -27.433 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 391 5.146 -28.907 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.486 -26.966 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.648 -25.923 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 391 3.342 -26.544 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 391 1.873 -27.779 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.234 -28.786 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.253 -28.073 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.173 -25.315 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.574 -25.572 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.735 -24.555 0.016 1.00 0.00 H new ATOM 262 N ARG A 392 6.105 -26.916 -3.297 1.00 0.00 N ATOM 263 CA ARG A 392 5.959 -26.664 -4.722 1.00 0.00 C ATOM 264 C ARG A 392 6.289 -27.932 -5.514 1.00 0.00 C ATOM 265 O ARG A 392 5.546 -28.309 -6.418 1.00 0.00 O ATOM 266 CB ARG A 392 6.835 -25.473 -5.130 1.00 0.00 C ATOM 267 CG ARG A 392 6.620 -25.118 -6.606 1.00 0.00 C ATOM 268 CD ARG A 392 7.178 -23.728 -6.926 1.00 0.00 C ATOM 269 NE ARG A 392 6.870 -23.349 -8.312 1.00 0.00 N ATOM 270 CZ ARG A 392 7.138 -22.151 -8.861 1.00 0.00 C ATOM 271 NH1 ARG A 392 7.756 -21.200 -8.148 1.00 0.00 N ATOM 272 NH2 ARG A 392 6.785 -21.910 -10.130 1.00 0.00 N ATOM 0 H ARG A 392 6.788 -26.312 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 392 4.926 -26.402 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 392 6.598 -24.611 -4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 392 7.884 -25.712 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 392 7.106 -25.862 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 392 5.556 -25.149 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 392 6.754 -22.994 -6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.257 -23.720 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 392 6.419 -24.048 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 392 8.027 -21.382 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 392 7.956 -20.294 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 392 6.315 -22.633 -10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 392 6.986 -21.003 -10.552 1.00 0.00 H new ATOM 286 N SER A 393 7.393 -28.600 -5.158 1.00 0.00 N ATOM 287 CA SER A 393 7.824 -29.841 -5.787 1.00 0.00 C ATOM 288 C SER A 393 6.731 -30.908 -5.655 1.00 0.00 C ATOM 289 O SER A 393 6.441 -31.637 -6.604 1.00 0.00 O ATOM 290 CB SER A 393 9.130 -30.301 -5.130 1.00 0.00 C ATOM 291 OG SER A 393 9.635 -31.467 -5.749 1.00 0.00 O ATOM 0 H SER A 393 8.016 -28.284 -4.415 1.00 0.00 H new ATOM 0 HA SER A 393 8.000 -29.679 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.871 -29.504 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 393 8.958 -30.494 -4.071 1.00 0.00 H new ATOM 0 HG SER A 393 10.469 -31.736 -5.310 1.00 0.00 H new ATOM 297 N GLY A 394 6.127 -31.001 -4.467 1.00 0.00 N ATOM 298 CA GLY A 394 5.070 -31.938 -4.143 1.00 0.00 C ATOM 299 C GLY A 394 3.881 -31.730 -5.071 1.00 0.00 C ATOM 300 O GLY A 394 3.438 -32.673 -5.725 1.00 0.00 O ATOM 0 H GLY A 394 6.377 -30.400 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.439 -32.960 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 394 4.760 -31.804 -3.107 1.00 0.00 H new ATOM 304 N VAL A 395 3.384 -30.491 -5.137 1.00 0.00 N ATOM 305 CA VAL A 395 2.265 -30.146 -6.002 1.00 0.00 C ATOM 306 C VAL A 395 2.636 -30.430 -7.458 1.00 0.00 C ATOM 307 O VAL A 395 1.817 -30.956 -8.204 1.00 0.00 O ATOM 308 CB VAL A 395 1.820 -28.693 -5.772 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.720 -28.299 -6.767 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.264 -28.547 -4.350 1.00 0.00 C ATOM 0 H VAL A 395 3.747 -29.708 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 395 1.405 -30.769 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 395 2.684 -28.044 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.419 -27.267 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.099 -28.394 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -0.140 -28.956 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 395 0.948 -27.517 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.410 -29.212 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.038 -28.808 -3.628 1.00 0.00 H new ATOM 320 N ARG A 396 3.864 -30.115 -7.881 1.00 0.00 N ATOM 321 CA ARG A 396 4.281 -30.390 -9.248 1.00 0.00 C ATOM 322 C ARG A 396 4.200 -31.892 -9.553 1.00 0.00 C ATOM 323 O ARG A 396 3.825 -32.266 -10.662 1.00 0.00 O ATOM 324 CB ARG A 396 5.682 -29.819 -9.511 1.00 0.00 C ATOM 325 CG ARG A 396 6.089 -30.032 -10.975 1.00 0.00 C ATOM 326 CD ARG A 396 7.365 -29.256 -11.321 1.00 0.00 C ATOM 327 NE ARG A 396 7.818 -29.546 -12.691 1.00 0.00 N ATOM 328 CZ ARG A 396 7.268 -29.064 -13.821 1.00 0.00 C ATOM 329 NH1 ARG A 396 6.222 -28.229 -13.771 1.00 0.00 N ATOM 330 NH2 ARG A 396 7.773 -29.423 -15.008 1.00 0.00 N ATOM 0 H ARG A 396 4.576 -29.674 -7.299 1.00 0.00 H new ATOM 0 HA ARG A 396 3.594 -29.889 -9.930 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.696 -28.755 -9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 396 6.406 -30.301 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 396 6.247 -31.095 -11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 396 5.278 -29.712 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 396 7.181 -28.187 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 396 8.153 -29.515 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 396 8.620 -30.168 -12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 396 5.833 -27.952 -12.870 1.00 0.00 H new ATOM 0 HH12 ARG A 396 5.814 -27.870 -14.634 1.00 0.00 H new ATOM 0 HH21 ARG A 396 8.570 -30.058 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 396 7.361 -29.061 -15.868 1.00 0.00 H new ATOM 344 N LYS A 397 4.550 -32.750 -8.586 1.00 0.00 N ATOM 345 CA LYS A 397 4.523 -34.197 -8.775 1.00 0.00 C ATOM 346 C LYS A 397 3.134 -34.831 -8.688 1.00 0.00 C ATOM 347 O LYS A 397 2.839 -35.723 -9.481 1.00 0.00 O ATOM 348 CB LYS A 397 5.482 -34.907 -7.799 1.00 0.00 C ATOM 349 CG LYS A 397 6.792 -35.350 -8.474 1.00 0.00 C ATOM 350 CD LYS A 397 7.758 -34.195 -8.773 1.00 0.00 C ATOM 351 CE LYS A 397 8.810 -34.016 -7.670 1.00 0.00 C ATOM 352 NZ LYS A 397 8.200 -33.804 -6.347 1.00 0.00 N ATOM 0 H LYS A 397 4.857 -32.458 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 397 4.858 -34.343 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.713 -34.237 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 397 4.983 -35.779 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.294 -36.074 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 397 6.554 -35.862 -9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 397 8.259 -34.380 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 397 7.192 -33.270 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.451 -34.897 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.448 -33.167 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 8.909 -33.408 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 7.403 -33.142 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 7.857 -34.712 -5.973 1.00 0.00 H new ATOM 366 N TYR A 398 2.310 -34.431 -7.714 1.00 0.00 N ATOM 367 CA TYR A 398 1.010 -35.055 -7.477 1.00 0.00 C ATOM 368 C TYR A 398 -0.198 -34.139 -7.643 1.00 0.00 C ATOM 369 O TYR A 398 -1.292 -34.639 -7.903 1.00 0.00 O ATOM 370 CB TYR A 398 1.035 -35.647 -6.063 1.00 0.00 C ATOM 371 CG TYR A 398 2.291 -36.452 -5.784 1.00 0.00 C ATOM 372 CD1 TYR A 398 2.525 -37.651 -6.480 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.230 -35.994 -4.844 1.00 0.00 C ATOM 374 CE1 TYR A 398 3.695 -38.390 -6.233 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.399 -36.734 -4.596 1.00 0.00 C ATOM 376 CZ TYR A 398 4.632 -37.934 -5.290 1.00 0.00 C ATOM 377 OH TYR A 398 5.764 -38.657 -5.057 1.00 0.00 O ATOM 0 H TYR A 398 2.527 -33.669 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 398 0.875 -35.814 -8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 398 0.957 -34.840 -5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.162 -36.285 -5.926 1.00 0.00 H new ATOM 0 HD1 TYR A 398 1.806 -38.004 -7.204 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.053 -35.071 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.874 -39.310 -6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.118 -36.381 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 398 5.692 -39.106 -4.189 1.00 0.00 H new ATOM 387 N GLY A 399 -0.013 -32.828 -7.482 1.00 0.00 N ATOM 388 CA GLY A 399 -1.085 -31.842 -7.573 1.00 0.00 C ATOM 389 C GLY A 399 -1.574 -31.439 -6.182 1.00 0.00 C ATOM 390 O GLY A 399 -0.997 -31.837 -5.169 1.00 0.00 O ATOM 0 H GLY A 399 0.899 -32.418 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.730 -30.961 -8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.914 -32.252 -8.150 1.00 0.00 H new ATOM 394 N GLU A 400 -2.660 -30.659 -6.136 1.00 0.00 N ATOM 395 CA GLU A 400 -3.292 -30.254 -4.892 1.00 0.00 C ATOM 396 C GLU A 400 -4.143 -31.436 -4.410 1.00 0.00 C ATOM 397 O GLU A 400 -4.537 -32.290 -5.203 1.00 0.00 O ATOM 398 CB GLU A 400 -4.153 -28.996 -5.091 1.00 0.00 C ATOM 399 CG GLU A 400 -3.320 -27.715 -5.278 1.00 0.00 C ATOM 400 CD GLU A 400 -2.991 -27.359 -6.726 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.035 -28.264 -7.585 1.00 0.00 O ATOM 402 OE2 GLU A 400 -2.705 -26.157 -6.946 1.00 0.00 O ATOM 0 H GLU A 400 -3.121 -30.293 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.538 -29.998 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -4.793 -29.136 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -4.809 -28.873 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -3.860 -26.881 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.386 -27.824 -4.726 1.00 0.00 H new ATOM 409 N GLY A 401 -4.421 -31.496 -3.107 1.00 0.00 N ATOM 410 CA GLY A 401 -5.205 -32.575 -2.527 1.00 0.00 C ATOM 411 C GLY A 401 -4.398 -33.868 -2.455 1.00 0.00 C ATOM 412 O GLY A 401 -4.903 -34.943 -2.772 1.00 0.00 O ATOM 0 H GLY A 401 -4.108 -30.799 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.533 -32.292 -1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.103 -32.737 -3.123 1.00 0.00 H new ATOM 416 N ASN A 402 -3.139 -33.739 -2.027 1.00 0.00 N ATOM 417 CA ASN A 402 -2.186 -34.828 -1.852 1.00 0.00 C ATOM 418 C ASN A 402 -1.241 -34.429 -0.715 1.00 0.00 C ATOM 419 O ASN A 402 -0.057 -34.751 -0.753 1.00 0.00 O ATOM 420 CB ASN A 402 -1.372 -35.032 -3.143 1.00 0.00 C ATOM 421 CG ASN A 402 -2.209 -35.204 -4.406 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.263 -34.311 -5.240 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.847 -36.357 -4.592 1.00 0.00 N ATOM 0 H ASN A 402 -2.743 -32.831 -1.784 1.00 0.00 H new ATOM 0 HA ASN A 402 -2.708 -35.757 -1.623 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -0.709 -34.177 -3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.738 -35.911 -3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.392 -36.507 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.791 -37.091 -3.886 1.00 0.00 H new ATOM 430 N TRP A 403 -1.734 -33.689 0.280 1.00 0.00 N ATOM 431 CA TRP A 403 -0.918 -33.164 1.366 1.00 0.00 C ATOM 432 C TRP A 403 -0.317 -34.245 2.251 1.00 0.00 C ATOM 433 O TRP A 403 0.876 -34.182 2.527 1.00 0.00 O ATOM 434 CB TRP A 403 -1.671 -32.066 2.113 1.00 0.00 C ATOM 435 CG TRP A 403 -2.393 -31.160 1.171 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.732 -31.057 1.046 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.823 -30.247 0.191 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.034 -30.149 0.056 1.00 0.00 N ATOM 439 CE2 TRP A 403 -2.892 -29.617 -0.506 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.510 -29.894 -0.188 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.673 -28.680 -1.524 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.279 -28.956 -1.207 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.356 -28.350 -1.873 1.00 0.00 C ATOM 0 H TRP A 403 -2.720 -33.438 0.351 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.037 -32.693 0.930 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.383 -32.517 2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -0.970 -31.485 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.456 -31.603 1.632 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -4.982 -29.901 -0.226 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.330 -30.352 0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.507 -28.219 -2.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.734 -28.699 -1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.170 -27.629 -2.655 1.00 0.00 H new ATOM 454 N SER A 404 -1.097 -35.243 2.675 1.00 0.00 N ATOM 455 CA SER A 404 -0.567 -36.338 3.484 1.00 0.00 C ATOM 456 C SER A 404 0.548 -37.062 2.709 1.00 0.00 C ATOM 457 O SER A 404 1.593 -37.395 3.269 1.00 0.00 O ATOM 458 CB SER A 404 -1.692 -37.285 3.916 1.00 0.00 C ATOM 459 OG SER A 404 -1.153 -38.335 4.693 1.00 0.00 O ATOM 0 H SER A 404 -2.094 -35.313 2.471 1.00 0.00 H new ATOM 0 HA SER A 404 -0.128 -35.939 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.440 -36.739 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.198 -37.690 3.039 1.00 0.00 H new ATOM 0 HG SER A 404 -1.873 -38.939 4.970 1.00 0.00 H new ATOM 465 N LYS A 405 0.338 -37.285 1.405 1.00 0.00 N ATOM 466 CA LYS A 405 1.305 -37.930 0.526 1.00 0.00 C ATOM 467 C LYS A 405 2.590 -37.092 0.465 1.00 0.00 C ATOM 468 O LYS A 405 3.681 -37.597 0.724 1.00 0.00 O ATOM 469 CB LYS A 405 0.660 -38.107 -0.857 1.00 0.00 C ATOM 470 CG LYS A 405 1.521 -38.912 -1.838 1.00 0.00 C ATOM 471 CD LYS A 405 1.070 -38.701 -3.290 1.00 0.00 C ATOM 472 CE LYS A 405 -0.369 -39.173 -3.547 1.00 0.00 C ATOM 473 NZ LYS A 405 -0.784 -38.925 -4.942 1.00 0.00 N ATOM 0 H LYS A 405 -0.524 -37.016 0.930 1.00 0.00 H new ATOM 0 HA LYS A 405 1.583 -38.913 0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -0.303 -38.605 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 405 0.460 -37.124 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 405 2.565 -38.616 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 405 1.463 -39.972 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 405 1.149 -37.643 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 405 1.746 -39.237 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -0.447 -40.238 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -1.048 -38.657 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -1.680 -39.418 -5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -0.913 -37.904 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -0.051 -39.278 -5.590 1.00 0.00 H new ATOM 487 N ILE A 406 2.456 -35.806 0.128 1.00 0.00 N ATOM 488 CA ILE A 406 3.559 -34.858 0.029 1.00 0.00 C ATOM 489 C ILE A 406 4.322 -34.812 1.360 1.00 0.00 C ATOM 490 O ILE A 406 5.547 -34.824 1.357 1.00 0.00 O ATOM 491 CB ILE A 406 3.016 -33.488 -0.432 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.574 -33.578 -1.906 1.00 0.00 C ATOM 493 CG2 ILE A 406 4.062 -32.376 -0.301 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.713 -32.390 -2.353 1.00 0.00 C ATOM 0 H ILE A 406 1.551 -35.389 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 406 4.282 -35.174 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 406 2.173 -33.240 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.458 -33.637 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 406 2.013 -34.501 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.633 -31.432 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 406 4.368 -32.285 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.930 -32.619 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.436 -32.515 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.812 -32.344 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.279 -31.466 -2.236 1.00 0.00 H new ATOM 506 N LEU A 407 3.602 -34.778 2.488 1.00 0.00 N ATOM 507 CA LEU A 407 4.148 -34.763 3.840 1.00 0.00 C ATOM 508 C LEU A 407 4.968 -36.029 4.091 1.00 0.00 C ATOM 509 O LEU A 407 6.040 -35.963 4.690 1.00 0.00 O ATOM 510 CB LEU A 407 2.994 -34.619 4.848 1.00 0.00 C ATOM 511 CG LEU A 407 3.361 -34.848 6.326 1.00 0.00 C ATOM 512 CD1 LEU A 407 4.345 -33.803 6.861 1.00 0.00 C ATOM 513 CD2 LEU A 407 2.082 -34.805 7.168 1.00 0.00 C ATOM 0 H LEU A 407 2.582 -34.760 2.477 1.00 0.00 H new ATOM 0 HA LEU A 407 4.819 -33.913 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 407 2.573 -33.618 4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.209 -35.324 4.575 1.00 0.00 H new ATOM 0 HG LEU A 407 3.849 -35.820 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 407 4.567 -34.014 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 407 5.266 -33.839 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 407 3.903 -32.810 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 407 2.331 -34.966 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.604 -33.832 7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 407 1.399 -35.586 6.833 1.00 0.00 H new ATOM 525 N LEU A 408 4.474 -37.187 3.640 1.00 0.00 N ATOM 526 CA LEU A 408 5.175 -38.449 3.826 1.00 0.00 C ATOM 527 C LEU A 408 6.550 -38.392 3.160 1.00 0.00 C ATOM 528 O LEU A 408 7.550 -38.730 3.793 1.00 0.00 O ATOM 529 CB LEU A 408 4.320 -39.615 3.306 1.00 0.00 C ATOM 530 CG LEU A 408 4.945 -41.002 3.538 1.00 0.00 C ATOM 531 CD1 LEU A 408 5.040 -41.346 5.030 1.00 0.00 C ATOM 532 CD2 LEU A 408 4.090 -42.059 2.831 1.00 0.00 C ATOM 0 H LEU A 408 3.587 -37.270 3.142 1.00 0.00 H new ATOM 0 HA LEU A 408 5.339 -38.621 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.345 -39.582 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.149 -39.479 2.238 1.00 0.00 H new ATOM 0 HG LEU A 408 5.957 -40.988 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 408 5.487 -42.333 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 408 5.659 -40.605 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 408 4.042 -41.345 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 408 4.526 -43.045 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 408 3.078 -42.039 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 408 4.057 -41.845 1.763 1.00 0.00 H new ATOM 544 N HIS A 409 6.596 -37.959 1.894 1.00 0.00 N ATOM 545 CA HIS A 409 7.840 -37.847 1.144 1.00 0.00 C ATOM 546 C HIS A 409 8.744 -36.768 1.747 1.00 0.00 C ATOM 547 O HIS A 409 9.885 -37.040 2.116 1.00 0.00 O ATOM 548 CB HIS A 409 7.538 -37.511 -0.323 1.00 0.00 C ATOM 549 CG HIS A 409 6.667 -38.520 -1.024 1.00 0.00 C ATOM 550 ND1 HIS A 409 7.028 -39.849 -1.181 1.00 0.00 N ATOM 551 CD2 HIS A 409 5.436 -38.406 -1.622 1.00 0.00 C ATOM 552 CE1 HIS A 409 6.031 -40.456 -1.845 1.00 0.00 C ATOM 553 NE2 HIS A 409 5.027 -39.628 -2.144 1.00 0.00 N ATOM 0 H HIS A 409 5.769 -37.678 1.367 1.00 0.00 H new ATOM 0 HA HIS A 409 8.360 -38.803 1.197 1.00 0.00 H new ATOM 0 HB2 HIS A 409 7.052 -36.536 -0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 409 8.480 -37.423 -0.865 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.864 -37.492 -1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 409 6.040 -41.503 -2.109 1.00 0.00 H new ATOM 0 HE2 HIS A 409 4.162 -39.842 -2.640 1.00 0.00 H new ATOM 561 N TYR A 410 8.219 -35.544 1.822 1.00 0.00 N ATOM 562 CA TYR A 410 8.884 -34.358 2.321 1.00 0.00 C ATOM 563 C TYR A 410 8.372 -34.057 3.724 1.00 0.00 C ATOM 564 O TYR A 410 7.336 -33.417 3.898 1.00 0.00 O ATOM 565 CB TYR A 410 8.589 -33.198 1.371 1.00 0.00 C ATOM 566 CG TYR A 410 8.960 -33.440 -0.083 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.310 -33.531 -0.467 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.951 -33.564 -1.055 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.647 -33.740 -1.817 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.287 -33.773 -2.404 1.00 0.00 C ATOM 571 CZ TYR A 410 9.636 -33.860 -2.786 1.00 0.00 C ATOM 572 OH TYR A 410 9.959 -34.061 -4.097 1.00 0.00 O ATOM 0 H TYR A 410 7.265 -35.352 1.517 1.00 0.00 H new ATOM 0 HA TYR A 410 9.962 -34.508 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.525 -32.968 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.124 -32.316 1.724 1.00 0.00 H new ATOM 0 HD1 TYR A 410 11.089 -33.440 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.913 -33.498 -0.764 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.684 -33.808 -2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.508 -33.867 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 410 9.711 -34.972 -4.359 1.00 0.00 H new ATOM 582 N LYS A 411 9.104 -34.534 4.727 1.00 0.00 N ATOM 583 CA LYS A 411 8.753 -34.364 6.124 1.00 0.00 C ATOM 584 C LYS A 411 9.012 -32.925 6.578 1.00 0.00 C ATOM 585 O LYS A 411 10.110 -32.603 7.029 1.00 0.00 O ATOM 586 CB LYS A 411 9.509 -35.407 6.956 1.00 0.00 C ATOM 587 CG LYS A 411 9.218 -36.820 6.426 1.00 0.00 C ATOM 588 CD LYS A 411 9.776 -37.889 7.372 1.00 0.00 C ATOM 589 CE LYS A 411 9.768 -39.280 6.724 1.00 0.00 C ATOM 590 NZ LYS A 411 8.432 -39.668 6.233 1.00 0.00 N ATOM 0 H LYS A 411 9.969 -35.056 4.585 1.00 0.00 H new ATOM 0 HA LYS A 411 7.686 -34.532 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.580 -35.209 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 411 9.211 -35.334 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 411 8.142 -36.955 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 411 9.660 -36.939 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.795 -37.626 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 411 9.184 -37.910 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 411 10.475 -39.295 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 411 10.113 -40.017 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.379 -40.704 6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.707 -39.334 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 8.268 -39.240 5.299 1.00 0.00 H new ATOM 604 N PHE A 412 7.990 -32.068 6.458 1.00 0.00 N ATOM 605 CA PHE A 412 8.037 -30.664 6.856 1.00 0.00 C ATOM 606 C PHE A 412 8.209 -30.534 8.377 1.00 0.00 C ATOM 607 O PHE A 412 8.222 -31.540 9.084 1.00 0.00 O ATOM 608 CB PHE A 412 6.739 -29.971 6.423 1.00 0.00 C ATOM 609 CG PHE A 412 6.374 -30.080 4.955 1.00 0.00 C ATOM 610 CD1 PHE A 412 7.034 -29.279 4.011 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.367 -30.966 4.531 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.692 -29.362 2.650 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.025 -31.049 3.171 1.00 0.00 C ATOM 614 CZ PHE A 412 5.686 -30.243 2.228 1.00 0.00 C ATOM 0 H PHE A 412 7.087 -32.343 6.071 1.00 0.00 H new ATOM 0 HA PHE A 412 8.891 -30.190 6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.919 -30.384 7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.814 -28.914 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 412 7.807 -28.596 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.855 -31.584 5.253 1.00 0.00 H new ATOM 0 HE1 PHE A 412 7.206 -28.745 1.927 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.253 -31.733 2.850 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.420 -30.302 1.183 1.00 0.00 H new ATOM 624 N ASN A 413 8.329 -29.299 8.891 1.00 0.00 N ATOM 625 CA ASN A 413 8.503 -29.049 10.323 1.00 0.00 C ATOM 626 C ASN A 413 7.428 -29.757 11.154 1.00 0.00 C ATOM 627 O ASN A 413 7.740 -30.617 11.974 1.00 0.00 O ATOM 628 CB ASN A 413 8.484 -27.541 10.622 1.00 0.00 C ATOM 629 CG ASN A 413 9.683 -26.778 10.061 1.00 0.00 C ATOM 630 OD1 ASN A 413 10.614 -27.362 9.513 1.00 0.00 O ATOM 631 ND2 ASN A 413 9.668 -25.453 10.207 1.00 0.00 N ATOM 0 H ASN A 413 8.308 -28.451 8.324 1.00 0.00 H new ATOM 0 HA ASN A 413 9.475 -29.455 10.604 1.00 0.00 H new ATOM 0 HB2 ASN A 413 7.570 -27.112 10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.448 -27.396 11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 413 10.446 -24.893 9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 413 8.879 -25.000 10.667 1.00 0.00 H new ATOM 638 N ASN A 414 6.163 -29.386 10.935 1.00 0.00 N ATOM 639 CA ASN A 414 4.988 -29.932 11.609 1.00 0.00 C ATOM 640 C ASN A 414 3.757 -29.289 10.971 1.00 0.00 C ATOM 641 O ASN A 414 3.005 -28.561 11.619 1.00 0.00 O ATOM 642 CB ASN A 414 5.051 -29.745 13.138 1.00 0.00 C ATOM 643 CG ASN A 414 5.533 -28.367 13.595 1.00 0.00 C ATOM 644 OD1 ASN A 414 6.641 -28.234 14.112 1.00 0.00 O ATOM 645 ND2 ASN A 414 4.708 -27.333 13.435 1.00 0.00 N ATOM 0 H ASN A 414 5.923 -28.666 10.254 1.00 0.00 H new ATOM 0 HA ASN A 414 4.941 -31.013 11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 414 4.059 -29.924 13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 414 5.713 -30.503 13.556 1.00 0.00 H new ATOM 0 HD21 ASN A 414 4.990 -26.403 13.745 1.00 0.00 H new ATOM 0 HD22 ASN A 414 3.794 -27.472 13.003 1.00 0.00 H new ATOM 652 N ARG A 415 3.583 -29.551 9.673 1.00 0.00 N ATOM 653 CA ARG A 415 2.517 -29.009 8.850 1.00 0.00 C ATOM 654 C ARG A 415 1.503 -30.106 8.523 1.00 0.00 C ATOM 655 O ARG A 415 1.858 -31.108 7.905 1.00 0.00 O ATOM 656 CB ARG A 415 3.123 -28.435 7.559 1.00 0.00 C ATOM 657 CG ARG A 415 4.460 -27.701 7.748 1.00 0.00 C ATOM 658 CD ARG A 415 4.402 -26.484 8.673 1.00 0.00 C ATOM 659 NE ARG A 415 5.670 -25.748 8.592 1.00 0.00 N ATOM 660 CZ ARG A 415 5.896 -24.532 9.107 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.937 -23.854 9.748 1.00 0.00 N ATOM 662 NH2 ARG A 415 7.104 -23.977 8.982 1.00 0.00 N ATOM 0 H ARG A 415 4.207 -30.169 9.155 1.00 0.00 H new ATOM 0 HA ARG A 415 2.001 -28.214 9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.268 -29.249 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.406 -27.746 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.192 -28.405 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 415 4.823 -27.380 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 415 3.574 -25.836 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.218 -26.802 9.699 1.00 0.00 H new ATOM 0 HE ARG A 415 6.443 -26.200 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 415 4.008 -24.262 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 415 5.135 -22.930 10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 415 7.848 -24.479 8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.283 -23.052 9.372 1.00 0.00 H new ATOM 676 N THR A 416 0.244 -29.916 8.928 1.00 0.00 N ATOM 677 CA THR A 416 -0.837 -30.860 8.665 1.00 0.00 C ATOM 678 C THR A 416 -1.378 -30.614 7.258 1.00 0.00 C ATOM 679 O THR A 416 -0.993 -29.642 6.612 1.00 0.00 O ATOM 680 CB THR A 416 -1.973 -30.636 9.676 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.599 -29.390 9.421 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.479 -30.691 11.125 1.00 0.00 C ATOM 0 H THR A 416 -0.053 -29.093 9.453 1.00 0.00 H new ATOM 0 HA THR A 416 -0.461 -31.879 8.754 1.00 0.00 H new ATOM 0 HB THR A 416 -2.692 -31.445 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 416 -3.324 -29.250 10.066 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.318 -30.527 11.802 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.039 -31.668 11.323 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.728 -29.917 11.283 1.00 0.00 H new ATOM 690 N SER A 417 -2.303 -31.462 6.792 1.00 0.00 N ATOM 691 CA SER A 417 -2.928 -31.272 5.491 1.00 0.00 C ATOM 692 C SER A 417 -3.607 -29.897 5.442 1.00 0.00 C ATOM 693 O SER A 417 -3.581 -29.240 4.404 1.00 0.00 O ATOM 694 CB SER A 417 -3.912 -32.408 5.197 1.00 0.00 C ATOM 695 OG SER A 417 -3.221 -33.634 5.076 1.00 0.00 O ATOM 0 H SER A 417 -2.630 -32.283 7.301 1.00 0.00 H new ATOM 0 HA SER A 417 -2.166 -31.300 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.650 -32.476 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.457 -32.197 4.277 1.00 0.00 H new ATOM 0 HG SER A 417 -3.860 -34.353 4.890 1.00 0.00 H new ATOM 701 N VAL A 418 -4.185 -29.453 6.570 1.00 0.00 N ATOM 702 CA VAL A 418 -4.826 -28.150 6.684 1.00 0.00 C ATOM 703 C VAL A 418 -3.780 -27.069 6.418 1.00 0.00 C ATOM 704 O VAL A 418 -3.969 -26.240 5.526 1.00 0.00 O ATOM 705 CB VAL A 418 -5.446 -27.945 8.084 1.00 0.00 C ATOM 706 CG1 VAL A 418 -6.105 -26.566 8.193 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.495 -29.005 8.427 1.00 0.00 C ATOM 0 H VAL A 418 -4.216 -29.999 7.431 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.633 -28.090 5.954 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.620 -28.031 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.534 -26.445 9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -5.357 -25.791 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.893 -26.479 7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.896 -28.811 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.303 -28.967 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -6.034 -29.993 8.408 1.00 0.00 H new ATOM 717 N MET A 419 -2.687 -27.078 7.199 1.00 0.00 N ATOM 718 CA MET A 419 -1.636 -26.078 7.052 1.00 0.00 C ATOM 719 C MET A 419 -1.081 -26.070 5.628 1.00 0.00 C ATOM 720 O MET A 419 -0.920 -25.008 5.041 1.00 0.00 O ATOM 721 CB MET A 419 -0.498 -26.268 8.069 1.00 0.00 C ATOM 722 CG MET A 419 -0.941 -26.433 9.528 1.00 0.00 C ATOM 723 SD MET A 419 -2.380 -25.477 10.081 1.00 0.00 S ATOM 724 CE MET A 419 -2.552 -26.168 11.745 1.00 0.00 C ATOM 0 H MET A 419 -2.516 -27.766 7.932 1.00 0.00 H new ATOM 0 HA MET A 419 -2.096 -25.111 7.256 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.081 -27.146 7.781 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.171 -25.410 8.005 1.00 0.00 H new ATOM 0 HG2 MET A 419 -1.153 -27.489 9.697 1.00 0.00 H new ATOM 0 HG3 MET A 419 -0.098 -26.171 10.167 1.00 0.00 H new ATOM 0 HE1 MET A 419 -3.396 -25.698 12.249 1.00 0.00 H new ATOM 0 HE2 MET A 419 -2.723 -27.242 11.677 1.00 0.00 H new ATOM 0 HE3 MET A 419 -1.641 -25.981 12.313 1.00 0.00 H new ATOM 734 N LEU A 420 -0.789 -27.247 5.073 1.00 0.00 N ATOM 735 CA LEU A 420 -0.251 -27.411 3.730 1.00 0.00 C ATOM 736 C LEU A 420 -1.162 -26.787 2.675 1.00 0.00 C ATOM 737 O LEU A 420 -0.691 -25.995 1.857 1.00 0.00 O ATOM 738 CB LEU A 420 0.003 -28.901 3.468 1.00 0.00 C ATOM 739 CG LEU A 420 1.246 -29.375 4.237 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.245 -30.886 4.483 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.508 -29.028 3.446 1.00 0.00 C ATOM 0 H LEU A 420 -0.925 -28.132 5.561 1.00 0.00 H new ATOM 0 HA LEU A 420 0.697 -26.878 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.866 -29.484 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.141 -29.071 2.400 1.00 0.00 H new ATOM 0 HG LEU A 420 1.228 -28.867 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.145 -31.166 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.366 -31.159 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.223 -31.410 3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.386 -29.366 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.476 -29.521 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.563 -27.949 3.303 1.00 0.00 H new ATOM 753 N LYS A 421 -2.457 -27.128 2.694 1.00 0.00 N ATOM 754 CA LYS A 421 -3.416 -26.582 1.752 1.00 0.00 C ATOM 755 C LYS A 421 -3.412 -25.059 1.867 1.00 0.00 C ATOM 756 O LYS A 421 -3.187 -24.375 0.871 1.00 0.00 O ATOM 757 CB LYS A 421 -4.811 -27.185 2.003 1.00 0.00 C ATOM 758 CG LYS A 421 -5.629 -27.275 0.713 1.00 0.00 C ATOM 759 CD LYS A 421 -6.101 -25.933 0.139 1.00 0.00 C ATOM 760 CE LYS A 421 -6.051 -26.032 -1.384 1.00 0.00 C ATOM 761 NZ LYS A 421 -6.590 -24.824 -2.030 1.00 0.00 N ATOM 0 H LYS A 421 -2.858 -27.786 3.362 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.138 -26.846 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.705 -28.179 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -5.346 -26.575 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.030 -27.784 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.503 -27.899 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.114 -25.710 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -5.463 -25.122 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.021 -26.186 -1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.620 -26.903 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.538 -24.930 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.581 -24.691 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.032 -23.996 -1.739 1.00 0.00 H new ATOM 775 N ASP A 422 -3.653 -24.545 3.078 1.00 0.00 N ATOM 776 CA ASP A 422 -3.674 -23.119 3.384 1.00 0.00 C ATOM 777 C ASP A 422 -2.454 -22.417 2.785 1.00 0.00 C ATOM 778 O ASP A 422 -2.595 -21.472 2.012 1.00 0.00 O ATOM 779 CB ASP A 422 -3.724 -22.938 4.908 1.00 0.00 C ATOM 780 CG ASP A 422 -3.433 -21.501 5.316 1.00 0.00 C ATOM 781 OD1 ASP A 422 -4.392 -20.703 5.298 1.00 0.00 O ATOM 782 OD2 ASP A 422 -2.264 -21.229 5.663 1.00 0.00 O ATOM 0 H ASP A 422 -3.844 -25.130 3.892 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.559 -22.664 2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -4.708 -23.228 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.999 -23.603 5.377 1.00 0.00 H new ATOM 787 N ARG A 423 -1.262 -22.900 3.144 1.00 0.00 N ATOM 788 CA ARG A 423 0.009 -22.366 2.687 1.00 0.00 C ATOM 789 C ARG A 423 0.050 -22.282 1.166 1.00 0.00 C ATOM 790 O ARG A 423 0.348 -21.226 0.613 1.00 0.00 O ATOM 791 CB ARG A 423 1.160 -23.243 3.195 1.00 0.00 C ATOM 792 CG ARG A 423 2.396 -22.437 3.577 1.00 0.00 C ATOM 793 CD ARG A 423 2.959 -21.489 2.524 1.00 0.00 C ATOM 794 NE ARG A 423 4.070 -20.744 3.119 1.00 0.00 N ATOM 795 CZ ARG A 423 5.070 -20.132 2.478 1.00 0.00 C ATOM 796 NH1 ARG A 423 5.248 -20.301 1.164 1.00 0.00 N ATOM 797 NH2 ARG A 423 5.884 -19.341 3.181 1.00 0.00 N ATOM 0 H ARG A 423 -1.159 -23.693 3.777 1.00 0.00 H new ATOM 0 HA ARG A 423 0.120 -21.359 3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 423 0.822 -23.812 4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.428 -23.965 2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.158 -21.853 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 423 3.183 -23.137 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.301 -22.049 1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.185 -20.804 2.178 1.00 0.00 H new ATOM 0 HE ARG A 423 4.082 -20.686 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 423 4.616 -20.904 0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 423 6.016 -19.827 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 423 5.734 -19.216 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.655 -18.862 2.717 1.00 0.00 H new ATOM 811 N TRP A 424 -0.247 -23.390 0.477 1.00 0.00 N ATOM 812 CA TRP A 424 -0.228 -23.405 -0.972 1.00 0.00 C ATOM 813 C TRP A 424 -1.258 -22.432 -1.548 1.00 0.00 C ATOM 814 O TRP A 424 -0.978 -21.770 -2.543 1.00 0.00 O ATOM 815 CB TRP A 424 -0.420 -24.824 -1.499 1.00 0.00 C ATOM 816 CG TRP A 424 -0.263 -24.927 -2.983 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.233 -25.302 -3.840 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.911 -24.652 -3.805 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.753 -25.288 -5.131 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.567 -24.886 -5.169 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.232 -24.226 -3.543 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.481 -24.706 -6.217 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.159 -24.044 -4.586 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.785 -24.281 -5.920 1.00 0.00 C ATOM 0 H TRP A 424 -0.501 -24.280 0.907 1.00 0.00 H new ATOM 0 HA TRP A 424 0.751 -23.063 -1.307 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.301 -25.484 -1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.413 -25.177 -1.220 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.239 -25.574 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.302 -25.542 -5.952 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.536 -24.037 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 1.185 -24.892 -7.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.164 -23.720 -4.360 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.501 -24.136 -6.716 1.00 0.00 H new ATOM 835 N ARG A 425 -2.440 -22.327 -0.929 1.00 0.00 N ATOM 836 CA ARG A 425 -3.485 -21.413 -1.371 1.00 0.00 C ATOM 837 C ARG A 425 -2.926 -19.989 -1.340 1.00 0.00 C ATOM 838 O ARG A 425 -3.043 -19.252 -2.320 1.00 0.00 O ATOM 839 CB ARG A 425 -4.740 -21.579 -0.498 1.00 0.00 C ATOM 840 CG ARG A 425 -6.001 -21.140 -1.252 1.00 0.00 C ATOM 841 CD ARG A 425 -7.270 -21.448 -0.447 1.00 0.00 C ATOM 842 NE ARG A 425 -7.607 -20.372 0.502 1.00 0.00 N ATOM 843 CZ ARG A 425 -8.712 -19.602 0.458 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.560 -19.639 -0.575 1.00 0.00 N ATOM 845 NH2 ARG A 425 -9.010 -18.777 1.467 1.00 0.00 N ATOM 0 H ARG A 425 -2.693 -22.876 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.791 -21.637 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.839 -22.621 -0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.634 -20.989 0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.950 -20.071 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -6.047 -21.649 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -8.104 -21.599 -1.132 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.133 -22.381 0.099 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.946 -20.195 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.379 -20.263 -1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.388 -19.043 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -8.398 -18.726 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -9.849 -18.199 1.422 1.00 0.00 H new ATOM 859 N THR A 426 -2.290 -19.626 -0.220 1.00 0.00 N ATOM 860 CA THR A 426 -1.654 -18.332 -0.039 1.00 0.00 C ATOM 861 C THR A 426 -0.563 -18.146 -1.097 1.00 0.00 C ATOM 862 O THR A 426 -0.465 -17.071 -1.678 1.00 0.00 O ATOM 863 CB THR A 426 -1.097 -18.219 1.385 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.148 -18.447 2.302 1.00 0.00 O ATOM 865 CG2 THR A 426 -0.503 -16.832 1.644 1.00 0.00 C ATOM 0 H THR A 426 -2.206 -20.237 0.592 1.00 0.00 H new ATOM 0 HA THR A 426 -2.386 -17.535 -0.169 1.00 0.00 H new ATOM 0 HB THR A 426 -0.305 -18.958 1.507 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.321 -19.409 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.117 -16.786 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.308 -16.646 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 426 -1.276 -16.075 1.514 1.00 0.00 H new ATOM 873 N MET A 427 0.245 -19.183 -1.358 1.00 0.00 N ATOM 874 CA MET A 427 1.313 -19.149 -2.350 1.00 0.00 C ATOM 875 C MET A 427 0.733 -18.742 -3.710 1.00 0.00 C ATOM 876 O MET A 427 1.177 -17.757 -4.300 1.00 0.00 O ATOM 877 CB MET A 427 2.022 -20.519 -2.410 1.00 0.00 C ATOM 878 CG MET A 427 3.470 -20.453 -2.918 1.00 0.00 C ATOM 879 SD MET A 427 3.789 -19.576 -4.472 1.00 0.00 S ATOM 880 CE MET A 427 2.826 -20.541 -5.662 1.00 0.00 C ATOM 0 H MET A 427 0.169 -20.079 -0.876 1.00 0.00 H new ATOM 0 HA MET A 427 2.061 -18.408 -2.068 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.017 -20.963 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.451 -21.184 -3.058 1.00 0.00 H new ATOM 0 HG2 MET A 427 4.075 -19.986 -2.141 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.831 -21.475 -3.032 1.00 0.00 H new ATOM 0 HE1 MET A 427 3.493 -20.957 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 427 2.314 -21.352 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 427 2.090 -19.896 -6.143 1.00 0.00 H new ATOM 890 N LYS A 428 -0.264 -19.499 -4.194 1.00 0.00 N ATOM 891 CA LYS A 428 -0.931 -19.248 -5.467 1.00 0.00 C ATOM 892 C LYS A 428 -1.426 -17.804 -5.517 1.00 0.00 C ATOM 893 O LYS A 428 -1.140 -17.092 -6.472 1.00 0.00 O ATOM 894 CB LYS A 428 -2.091 -20.234 -5.682 1.00 0.00 C ATOM 895 CG LYS A 428 -1.608 -21.682 -5.840 1.00 0.00 C ATOM 896 CD LYS A 428 -2.784 -22.644 -6.060 1.00 0.00 C ATOM 897 CE LYS A 428 -3.218 -22.700 -7.528 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.011 -23.910 -7.819 1.00 0.00 N ATOM 0 H LYS A 428 -0.630 -20.313 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.215 -19.400 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.777 -20.173 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -2.652 -19.942 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -0.920 -21.748 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -1.053 -21.981 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.501 -23.643 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -3.628 -22.331 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -3.806 -21.814 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -2.336 -22.680 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.042 -24.066 -8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -3.572 -24.732 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.979 -23.786 -7.459 1.00 0.00 H new ATOM 912 N LYS A 429 -2.154 -17.379 -4.481 1.00 0.00 N ATOM 913 CA LYS A 429 -2.693 -16.031 -4.348 1.00 0.00 C ATOM 914 C LYS A 429 -1.596 -14.959 -4.423 1.00 0.00 C ATOM 915 O LYS A 429 -1.786 -13.928 -5.061 1.00 0.00 O ATOM 916 CB LYS A 429 -3.493 -15.975 -3.033 1.00 0.00 C ATOM 917 CG LYS A 429 -3.876 -14.578 -2.519 1.00 0.00 C ATOM 918 CD LYS A 429 -2.707 -13.851 -1.829 1.00 0.00 C ATOM 919 CE LYS A 429 -3.113 -13.249 -0.480 1.00 0.00 C ATOM 920 NZ LYS A 429 -2.015 -12.457 0.104 1.00 0.00 N ATOM 0 H LYS A 429 -2.389 -17.982 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 429 -3.355 -15.808 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -4.408 -16.552 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -2.911 -16.475 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.230 -13.974 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -4.705 -14.669 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -1.884 -14.550 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.338 -13.060 -2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -3.991 -12.617 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -3.394 -14.047 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -2.319 -12.062 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -1.186 -13.068 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -1.764 -11.682 -0.542 1.00 0.00 H new