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 397 LYS NZ :NH3+ -165:sc= 0.999 (180deg=0) USER MOD Set 1.2: A 398 TYR OH : rot 156:sc= 0.497 USER MOD Set 1.3: A 409 HIS :FLIP no HD1:sc= -0.11 F(o=1.1,f=2.3) USER MOD Set 1.4: A 410 TYR OH : rot 30:sc= 0.864 USER MOD Set 2.1: A 402 ASN : amide:sc= 1.51 K(o=2.7,f=-8.9!) USER MOD Set 2.2: A 405 LYS NZ :NH3+ -168:sc= 1.2 (180deg=-0.0585) USER MOD Set 3.1: A 381 GLN : amide:sc= 1.23 K(o=1.9,f=-2.7!) USER MOD Set 3.2: A 414 ASN : amide:sc= 0.65 K(o=1.9,f=0.65) USER MOD Single : A 389 LYS NZ :NH3+ -157:sc= 0.869 (180deg=-0.18!) USER MOD Single : A 390 ASN : amide:sc= -0.995 K(o=-1,f=-3.6!) USER MOD Single : A 393 SER OG : rot 180:sc= -0.157 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0131) USER MOD Single : A 413 ASN : amide:sc= 0.674 K(o=0.67,f=-0.21) USER MOD Single : A 416 THR OG1 : rot -84:sc= 0.942 USER MOD Single : A 417 SER OG : rot 180:sc=-0.000236 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.02) USER MOD Single : A 426 THR OG1 : rot 74:sc= 0.689 USER MOD Single : A 427 MET CE :methyl 169:sc= -0.217 (180deg=-0.7) USER MOD Single : A 428 LYS NZ :NH3+ 159:sc= 1.04 (180deg=0.0119!) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.748 -21.823 14.014 1.00 0.00 N ATOM 72 CA GLN A 381 6.734 -22.548 13.236 1.00 0.00 C ATOM 73 C GLN A 381 6.907 -21.836 11.894 1.00 0.00 C ATOM 74 O GLN A 381 6.318 -22.246 10.896 1.00 0.00 O ATOM 75 CB GLN A 381 6.288 -24.002 13.039 1.00 0.00 C ATOM 76 CG GLN A 381 6.122 -24.759 14.361 1.00 0.00 C ATOM 77 CD GLN A 381 5.757 -26.217 14.101 1.00 0.00 C ATOM 78 OE1 GLN A 381 6.531 -27.119 14.421 1.00 0.00 O ATOM 79 NE2 GLN A 381 4.586 -26.449 13.506 1.00 0.00 N ATOM 0 HA GLN A 381 7.690 -22.567 13.760 1.00 0.00 H new ATOM 0 HB2 GLN A 381 5.343 -24.016 12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.019 -24.520 12.419 1.00 0.00 H new ATOM 0 HG2 GLN A 381 7.047 -24.707 14.935 1.00 0.00 H new ATOM 0 HG3 GLN A 381 5.346 -24.286 14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 381 3.976 -25.670 13.259 1.00 0.00 H new ATOM 0 HE22 GLN A 381 4.300 -27.406 13.298 1.00 0.00 H new ATOM 88 N ALA A 382 7.717 -20.773 11.862 1.00 0.00 N ATOM 89 CA ALA A 382 7.976 -20.023 10.640 1.00 0.00 C ATOM 90 C ALA A 382 8.552 -20.962 9.576 1.00 0.00 C ATOM 91 O ALA A 382 9.403 -21.795 9.882 1.00 0.00 O ATOM 92 CB ALA A 382 8.933 -18.862 10.924 1.00 0.00 C ATOM 0 H ALA A 382 8.207 -20.414 12.681 1.00 0.00 H new ATOM 0 HA ALA A 382 7.042 -19.604 10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 382 9.118 -18.310 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.488 -18.196 11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.875 -19.253 11.309 1.00 0.00 H new ATOM 98 N TRP A 383 8.076 -20.839 8.335 1.00 0.00 N ATOM 99 CA TRP A 383 8.528 -21.677 7.236 1.00 0.00 C ATOM 100 C TRP A 383 9.870 -21.171 6.711 1.00 0.00 C ATOM 101 O TRP A 383 10.147 -19.972 6.748 1.00 0.00 O ATOM 102 CB TRP A 383 7.488 -21.695 6.114 1.00 0.00 C ATOM 103 CG TRP A 383 6.184 -22.380 6.395 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.338 -22.096 7.409 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.551 -23.463 5.653 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.227 -22.912 7.349 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.310 -23.777 6.281 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.893 -24.208 4.504 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.456 -24.779 5.797 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.044 -25.217 4.012 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.829 -25.503 4.657 1.00 0.00 C ATOM 0 H TRP A 383 7.367 -20.155 8.070 1.00 0.00 H new ATOM 0 HA TRP A 383 8.655 -22.696 7.601 1.00 0.00 H new ATOM 0 HB2 TRP A 383 7.274 -20.663 5.836 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.939 -22.172 5.244 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.507 -21.338 8.160 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.449 -22.879 8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.822 -24.000 3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.522 -24.990 6.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.328 -25.775 3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.184 -26.280 4.275 1.00 0.00 H new ATOM 122 N LEU A 384 10.695 -22.102 6.227 1.00 0.00 N ATOM 123 CA LEU A 384 12.021 -21.857 5.677 1.00 0.00 C ATOM 124 C LEU A 384 12.010 -22.273 4.204 1.00 0.00 C ATOM 125 O LEU A 384 11.058 -22.928 3.771 1.00 0.00 O ATOM 126 CB LEU A 384 13.052 -22.652 6.492 1.00 0.00 C ATOM 127 CG LEU A 384 12.902 -22.531 8.021 1.00 0.00 C ATOM 128 CD1 LEU A 384 13.914 -23.460 8.699 1.00 0.00 C ATOM 129 CD2 LEU A 384 13.134 -21.095 8.505 1.00 0.00 C ATOM 0 H LEU A 384 10.441 -23.090 6.209 1.00 0.00 H new ATOM 0 HA LEU A 384 12.292 -20.803 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.979 -23.704 6.216 1.00 0.00 H new ATOM 0 HB3 LEU A 384 14.051 -22.318 6.212 1.00 0.00 H new ATOM 0 HG LEU A 384 11.882 -22.813 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 384 13.814 -23.380 9.781 1.00 0.00 H new ATOM 0 HD12 LEU A 384 13.726 -24.489 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 384 14.924 -23.173 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 384 13.019 -21.053 9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.141 -20.778 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 384 12.407 -20.431 8.037 1.00 0.00 H new ATOM 141 N TRP A 385 13.049 -21.913 3.426 1.00 0.00 N ATOM 142 CA TRP A 385 13.087 -22.293 2.022 1.00 0.00 C ATOM 143 C TRP A 385 12.797 -23.766 1.812 1.00 0.00 C ATOM 144 O TRP A 385 11.825 -24.056 1.146 1.00 0.00 O ATOM 145 CB TRP A 385 14.363 -21.892 1.295 1.00 0.00 C ATOM 146 CG TRP A 385 15.651 -21.696 2.026 1.00 0.00 C ATOM 147 CD1 TRP A 385 16.608 -20.928 1.486 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.196 -22.171 3.306 1.00 0.00 C ATOM 149 NE1 TRP A 385 17.696 -20.866 2.320 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.503 -21.616 3.457 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.750 -22.996 4.362 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.313 -21.863 4.575 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.552 -23.257 5.488 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.832 -22.692 5.598 1.00 0.00 C ATOM 0 H TRP A 385 13.851 -21.371 3.747 1.00 0.00 H new ATOM 0 HA TRP A 385 12.282 -21.713 1.570 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.544 -22.649 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.150 -20.959 0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 385 16.533 -20.429 0.531 1.00 0.00 H new ATOM 0 HE1 TRP A 385 18.542 -20.331 2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.767 -23.439 4.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 19.295 -21.420 4.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.180 -23.897 6.274 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.443 -22.895 6.465 1.00 0.00 H new ATOM 165 N GLU A 386 13.590 -24.687 2.359 1.00 0.00 N ATOM 166 CA GLU A 386 13.381 -26.123 2.229 1.00 0.00 C ATOM 167 C GLU A 386 11.899 -26.506 2.278 1.00 0.00 C ATOM 168 O GLU A 386 11.472 -27.309 1.459 1.00 0.00 O ATOM 169 CB GLU A 386 14.191 -26.911 3.272 1.00 0.00 C ATOM 170 CG GLU A 386 15.669 -26.504 3.385 1.00 0.00 C ATOM 171 CD GLU A 386 16.326 -26.235 2.038 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.613 -27.215 1.318 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.501 -25.045 1.699 1.00 0.00 O ATOM 0 H GLU A 386 14.411 -24.448 2.915 1.00 0.00 H new ATOM 0 HA GLU A 386 13.749 -26.399 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.719 -26.787 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.139 -27.972 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 386 15.746 -25.610 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 386 16.218 -27.294 3.897 1.00 0.00 H new ATOM 180 N GLU A 387 11.108 -25.927 3.190 1.00 0.00 N ATOM 181 CA GLU A 387 9.681 -26.203 3.271 1.00 0.00 C ATOM 182 C GLU A 387 8.936 -25.614 2.061 1.00 0.00 C ATOM 183 O GLU A 387 8.228 -26.348 1.378 1.00 0.00 O ATOM 184 CB GLU A 387 9.112 -25.727 4.609 1.00 0.00 C ATOM 185 CG GLU A 387 9.774 -26.477 5.772 1.00 0.00 C ATOM 186 CD GLU A 387 8.997 -26.283 7.064 1.00 0.00 C ATOM 187 OE1 GLU A 387 9.288 -25.299 7.779 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.119 -27.129 7.339 1.00 0.00 O ATOM 0 H GLU A 387 11.443 -25.260 3.885 1.00 0.00 H new ATOM 0 HA GLU A 387 9.530 -27.282 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.276 -24.655 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 387 8.034 -25.889 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.833 -27.540 5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.796 -26.122 5.902 1.00 0.00 H new ATOM 195 N ASP A 388 9.091 -24.315 1.770 1.00 0.00 N ATOM 196 CA ASP A 388 8.447 -23.670 0.618 1.00 0.00 C ATOM 197 C ASP A 388 8.800 -24.426 -0.675 1.00 0.00 C ATOM 198 O ASP A 388 7.936 -24.867 -1.433 1.00 0.00 O ATOM 199 CB ASP A 388 8.924 -22.210 0.494 1.00 0.00 C ATOM 200 CG ASP A 388 8.358 -21.277 1.558 1.00 0.00 C ATOM 201 OD1 ASP A 388 8.246 -21.713 2.722 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.011 -20.135 1.180 1.00 0.00 O ATOM 0 H ASP A 388 9.666 -23.682 2.326 1.00 0.00 H new ATOM 0 HA ASP A 388 7.368 -23.689 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 388 10.012 -22.189 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.648 -21.831 -0.490 1.00 0.00 H new ATOM 207 N LYS A 389 10.108 -24.564 -0.888 1.00 0.00 N ATOM 208 CA LYS A 389 10.808 -25.229 -1.965 1.00 0.00 C ATOM 209 C LYS A 389 10.240 -26.647 -2.137 1.00 0.00 C ATOM 210 O LYS A 389 9.869 -27.029 -3.251 1.00 0.00 O ATOM 211 CB LYS A 389 12.320 -25.180 -1.621 1.00 0.00 C ATOM 212 CG LYS A 389 13.178 -25.788 -2.739 1.00 0.00 C ATOM 213 CD LYS A 389 14.675 -25.487 -2.560 1.00 0.00 C ATOM 214 CE LYS A 389 15.185 -25.945 -1.189 1.00 0.00 C ATOM 215 NZ LYS A 389 16.651 -25.858 -1.065 1.00 0.00 N ATOM 0 H LYS A 389 10.772 -24.162 -0.227 1.00 0.00 H new ATOM 0 HA LYS A 389 10.671 -24.742 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.621 -24.146 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.499 -25.720 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 389 13.028 -26.867 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.845 -25.399 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.243 -25.986 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.847 -24.417 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.723 -25.335 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.871 -26.974 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.976 -26.511 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 17.092 -26.116 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.921 -24.886 -0.813 1.00 0.00 H new ATOM 229 N ASN A 390 10.155 -27.410 -1.037 1.00 0.00 N ATOM 230 CA ASN A 390 9.617 -28.766 -1.000 1.00 0.00 C ATOM 231 C ASN A 390 8.158 -28.767 -1.447 1.00 0.00 C ATOM 232 O ASN A 390 7.824 -29.481 -2.385 1.00 0.00 O ATOM 233 CB ASN A 390 9.775 -29.356 0.413 1.00 0.00 C ATOM 234 CG ASN A 390 9.087 -30.699 0.636 1.00 0.00 C ATOM 235 OD1 ASN A 390 8.677 -31.370 -0.306 1.00 0.00 O ATOM 236 ND2 ASN A 390 8.963 -31.095 1.903 1.00 0.00 N ATOM 0 H ASN A 390 10.470 -27.084 -0.123 1.00 0.00 H new ATOM 0 HA ASN A 390 10.177 -29.395 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 390 10.838 -29.471 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.382 -28.640 1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 390 8.514 -31.985 2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 390 9.317 -30.508 2.658 1.00 0.00 H new ATOM 243 N LEU A 391 7.299 -27.979 -0.789 1.00 0.00 N ATOM 244 CA LEU A 391 5.875 -27.869 -1.091 1.00 0.00 C ATOM 245 C LEU A 391 5.645 -27.652 -2.584 1.00 0.00 C ATOM 246 O LEU A 391 4.895 -28.397 -3.213 1.00 0.00 O ATOM 247 CB LEU A 391 5.262 -26.742 -0.244 1.00 0.00 C ATOM 248 CG LEU A 391 3.766 -26.512 -0.500 1.00 0.00 C ATOM 249 CD1 LEU A 391 2.960 -27.796 -0.295 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.256 -25.416 0.445 1.00 0.00 C ATOM 0 H LEU A 391 7.588 -27.386 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 391 5.377 -28.804 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.408 -26.974 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.801 -25.816 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 391 3.636 -26.201 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 391 1.905 -27.598 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.315 -28.562 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.085 -28.144 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.194 -25.248 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.407 -25.728 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 391 3.805 -24.492 0.261 1.00 0.00 H new ATOM 262 N ARG A 392 6.310 -26.641 -3.149 1.00 0.00 N ATOM 263 CA ARG A 392 6.228 -26.310 -4.564 1.00 0.00 C ATOM 264 C ARG A 392 6.580 -27.549 -5.399 1.00 0.00 C ATOM 265 O ARG A 392 5.834 -27.904 -6.314 1.00 0.00 O ATOM 266 CB ARG A 392 7.117 -25.080 -4.806 1.00 0.00 C ATOM 267 CG ARG A 392 7.235 -24.589 -6.260 1.00 0.00 C ATOM 268 CD ARG A 392 8.177 -25.411 -7.154 1.00 0.00 C ATOM 269 NE ARG A 392 9.421 -25.751 -6.448 1.00 0.00 N ATOM 270 CZ ARG A 392 10.176 -26.828 -6.705 1.00 0.00 C ATOM 271 NH1 ARG A 392 10.086 -27.461 -7.881 1.00 0.00 N ATOM 272 NH2 ARG A 392 10.999 -27.292 -5.760 1.00 0.00 N ATOM 0 H ARG A 392 6.929 -26.023 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 392 5.221 -26.037 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 392 6.735 -24.259 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 392 8.119 -25.307 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 392 6.242 -24.590 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 392 7.580 -23.555 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.675 -26.325 -7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.411 -24.846 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 392 9.732 -25.121 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 392 9.438 -27.125 -8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 392 10.666 -28.280 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 392 11.048 -26.827 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 392 11.578 -28.111 -5.945 1.00 0.00 H new ATOM 286 N SER A 393 7.692 -28.226 -5.075 1.00 0.00 N ATOM 287 CA SER A 393 8.097 -29.447 -5.773 1.00 0.00 C ATOM 288 C SER A 393 6.996 -30.509 -5.683 1.00 0.00 C ATOM 289 O SER A 393 6.665 -31.137 -6.684 1.00 0.00 O ATOM 290 CB SER A 393 9.419 -29.998 -5.202 1.00 0.00 C ATOM 291 OG SER A 393 10.439 -29.969 -6.184 1.00 0.00 O ATOM 0 H SER A 393 8.327 -27.943 -4.329 1.00 0.00 H new ATOM 0 HA SER A 393 8.257 -29.197 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.722 -29.407 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.272 -31.020 -4.853 1.00 0.00 H new ATOM 0 HG SER A 393 11.270 -30.321 -5.803 1.00 0.00 H new ATOM 297 N GLY A 394 6.442 -30.704 -4.485 1.00 0.00 N ATOM 298 CA GLY A 394 5.393 -31.661 -4.187 1.00 0.00 C ATOM 299 C GLY A 394 4.178 -31.447 -5.080 1.00 0.00 C ATOM 300 O GLY A 394 3.718 -32.386 -5.725 1.00 0.00 O ATOM 0 H GLY A 394 6.730 -30.172 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.773 -32.674 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.099 -31.568 -3.141 1.00 0.00 H new ATOM 304 N VAL A 395 3.663 -30.215 -5.127 1.00 0.00 N ATOM 305 CA VAL A 395 2.508 -29.874 -5.948 1.00 0.00 C ATOM 306 C VAL A 395 2.806 -30.155 -7.421 1.00 0.00 C ATOM 307 O VAL A 395 1.994 -30.776 -8.100 1.00 0.00 O ATOM 308 CB VAL A 395 2.090 -28.412 -5.713 1.00 0.00 C ATOM 309 CG1 VAL A 395 1.001 -27.988 -6.710 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.537 -28.246 -4.294 1.00 0.00 C ATOM 0 H VAL A 395 4.038 -29.429 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 395 1.665 -30.501 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 395 2.972 -27.787 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.722 -26.951 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 395 1.381 -28.085 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 395 0.126 -28.627 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.244 -27.208 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.669 -28.892 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.305 -28.520 -3.570 1.00 0.00 H new ATOM 320 N ARG A 396 3.959 -29.708 -7.926 1.00 0.00 N ATOM 321 CA ARG A 396 4.316 -29.929 -9.322 1.00 0.00 C ATOM 322 C ARG A 396 4.492 -31.419 -9.653 1.00 0.00 C ATOM 323 O ARG A 396 4.153 -31.843 -10.755 1.00 0.00 O ATOM 324 CB ARG A 396 5.585 -29.137 -9.666 1.00 0.00 C ATOM 325 CG ARG A 396 5.393 -27.612 -9.612 1.00 0.00 C ATOM 326 CD ARG A 396 4.568 -27.062 -10.785 1.00 0.00 C ATOM 327 NE ARG A 396 4.534 -25.593 -10.741 1.00 0.00 N ATOM 328 CZ ARG A 396 4.221 -24.779 -11.765 1.00 0.00 C ATOM 329 NH1 ARG A 396 3.813 -25.274 -12.940 1.00 0.00 N ATOM 330 NH2 ARG A 396 4.329 -23.456 -11.605 1.00 0.00 N ATOM 0 H ARG A 396 4.656 -29.193 -7.388 1.00 0.00 H new ATOM 0 HA ARG A 396 3.490 -29.571 -9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 396 6.378 -29.420 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 396 5.919 -29.418 -10.665 1.00 0.00 H new ATOM 0 HG2 ARG A 396 4.902 -27.348 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 396 6.370 -27.130 -9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 396 4.999 -27.394 -11.729 1.00 0.00 H new ATOM 0 HD3 ARG A 396 3.553 -27.457 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 396 4.769 -25.151 -9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 396 3.736 -26.283 -13.069 1.00 0.00 H new ATOM 0 HH12 ARG A 396 3.580 -24.642 -13.706 1.00 0.00 H new ATOM 0 HH21 ARG A 396 4.646 -23.074 -10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 396 4.095 -22.828 -12.374 1.00 0.00 H new ATOM 344 N LYS A 397 5.038 -32.209 -8.721 1.00 0.00 N ATOM 345 CA LYS A 397 5.312 -33.630 -8.911 1.00 0.00 C ATOM 346 C LYS A 397 4.089 -34.540 -8.767 1.00 0.00 C ATOM 347 O LYS A 397 3.961 -35.492 -9.536 1.00 0.00 O ATOM 348 CB LYS A 397 6.450 -34.044 -7.967 1.00 0.00 C ATOM 349 CG LYS A 397 7.040 -35.406 -8.356 1.00 0.00 C ATOM 350 CD LYS A 397 8.226 -35.799 -7.465 1.00 0.00 C ATOM 351 CE LYS A 397 9.494 -34.996 -7.775 1.00 0.00 C ATOM 352 NZ LYS A 397 10.643 -35.494 -6.997 1.00 0.00 N ATOM 0 H LYS A 397 5.305 -31.868 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 397 5.615 -33.766 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 397 7.235 -33.288 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 397 6.077 -34.087 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 397 6.265 -36.169 -8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 397 7.363 -35.376 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.954 -35.651 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 397 8.434 -36.861 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.717 -35.060 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.326 -33.943 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 11.411 -34.794 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 10.353 -35.650 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 10.976 -36.390 -7.405 1.00 0.00 H new ATOM 366 N TYR A 398 3.221 -34.290 -7.781 1.00 0.00 N ATOM 367 CA TYR A 398 2.061 -35.132 -7.483 1.00 0.00 C ATOM 368 C TYR A 398 0.707 -34.486 -7.774 1.00 0.00 C ATOM 369 O TYR A 398 -0.314 -35.164 -7.673 1.00 0.00 O ATOM 370 CB TYR A 398 2.147 -35.561 -6.012 1.00 0.00 C ATOM 371 CG TYR A 398 3.532 -36.023 -5.597 1.00 0.00 C ATOM 372 CD1 TYR A 398 4.175 -37.048 -6.313 1.00 0.00 C ATOM 373 CD2 TYR A 398 4.183 -35.420 -4.507 1.00 0.00 C ATOM 374 CE1 TYR A 398 5.461 -37.466 -5.941 1.00 0.00 C ATOM 375 CE2 TYR A 398 5.470 -35.840 -4.132 1.00 0.00 C ATOM 376 CZ TYR A 398 6.109 -36.867 -4.848 1.00 0.00 C ATOM 377 OH TYR A 398 7.358 -37.280 -4.491 1.00 0.00 O ATOM 0 H TYR A 398 3.307 -33.486 -7.160 1.00 0.00 H new ATOM 0 HA TYR A 398 2.106 -35.988 -8.156 1.00 0.00 H new ATOM 0 HB2 TYR A 398 1.847 -34.725 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 398 1.435 -36.367 -5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 398 3.678 -37.514 -7.151 1.00 0.00 H new ATOM 0 HD2 TYR A 398 3.692 -34.631 -3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 398 5.954 -38.250 -6.496 1.00 0.00 H new ATOM 0 HE2 TYR A 398 5.968 -35.374 -3.294 1.00 0.00 H new ATOM 0 HH TYR A 398 7.815 -36.560 -4.007 1.00 0.00 H new ATOM 387 N GLY A 399 0.676 -33.199 -8.130 1.00 0.00 N ATOM 388 CA GLY A 399 -0.553 -32.480 -8.416 1.00 0.00 C ATOM 389 C GLY A 399 -1.090 -31.818 -7.149 1.00 0.00 C ATOM 390 O GLY A 399 -0.815 -32.269 -6.037 1.00 0.00 O ATOM 0 H GLY A 399 1.515 -32.628 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.370 -31.724 -9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.298 -33.166 -8.819 1.00 0.00 H new ATOM 394 N GLU A 400 -1.861 -30.742 -7.321 1.00 0.00 N ATOM 395 CA GLU A 400 -2.457 -29.986 -6.227 1.00 0.00 C ATOM 396 C GLU A 400 -3.490 -30.845 -5.485 1.00 0.00 C ATOM 397 O GLU A 400 -4.052 -31.776 -6.061 1.00 0.00 O ATOM 398 CB GLU A 400 -3.048 -28.694 -6.811 1.00 0.00 C ATOM 399 CG GLU A 400 -3.359 -27.634 -5.749 1.00 0.00 C ATOM 400 CD GLU A 400 -3.653 -26.285 -6.396 1.00 0.00 C ATOM 401 OE1 GLU A 400 -2.728 -25.734 -7.034 1.00 0.00 O ATOM 402 OE2 GLU A 400 -4.786 -25.783 -6.246 1.00 0.00 O ATOM 0 H GLU A 400 -2.090 -30.368 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 400 -1.710 -29.713 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -2.348 -28.278 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -3.963 -28.934 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.215 -27.950 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -2.514 -27.538 -5.067 1.00 0.00 H new ATOM 409 N GLY A 401 -3.729 -30.540 -4.204 1.00 0.00 N ATOM 410 CA GLY A 401 -4.672 -31.276 -3.371 1.00 0.00 C ATOM 411 C GLY A 401 -4.151 -32.681 -3.074 1.00 0.00 C ATOM 412 O GLY A 401 -4.841 -33.670 -3.313 1.00 0.00 O ATOM 0 H GLY A 401 -3.268 -29.770 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -4.835 -30.739 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -5.636 -31.340 -3.875 1.00 0.00 H new ATOM 416 N ASN A 402 -2.919 -32.759 -2.556 1.00 0.00 N ATOM 417 CA ASN A 402 -2.235 -34.000 -2.215 1.00 0.00 C ATOM 418 C ASN A 402 -1.265 -33.712 -1.072 1.00 0.00 C ATOM 419 O ASN A 402 -0.104 -34.102 -1.116 1.00 0.00 O ATOM 420 CB ASN A 402 -1.497 -34.532 -3.456 1.00 0.00 C ATOM 421 CG ASN A 402 -2.457 -35.172 -4.451 1.00 0.00 C ATOM 422 OD1 ASN A 402 -3.082 -36.185 -4.137 1.00 0.00 O ATOM 423 ND2 ASN A 402 -2.577 -34.590 -5.641 1.00 0.00 N ATOM 0 H ASN A 402 -2.358 -31.930 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 402 -2.944 -34.763 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -0.963 -33.714 -3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.750 -35.264 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.208 -34.983 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.038 -33.751 -5.855 1.00 0.00 H new ATOM 430 N TRP A 403 -1.749 -33.007 -0.052 1.00 0.00 N ATOM 431 CA TRP A 403 -0.967 -32.586 1.102 1.00 0.00 C ATOM 432 C TRP A 403 -0.486 -33.780 1.921 1.00 0.00 C ATOM 433 O TRP A 403 0.688 -33.854 2.278 1.00 0.00 O ATOM 434 CB TRP A 403 -1.782 -31.572 1.904 1.00 0.00 C ATOM 435 CG TRP A 403 -2.569 -30.644 1.028 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.915 -30.528 0.993 1.00 0.00 C ATOM 437 CD2 TRP A 403 -2.061 -29.719 0.025 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.275 -29.600 0.039 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.171 -29.071 -0.589 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.774 -29.368 -0.437 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -3.016 -28.122 -1.608 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.608 -28.417 -1.458 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.723 -27.798 -2.043 1.00 0.00 C ATOM 0 H TRP A 403 -2.723 -32.706 -0.007 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.052 -32.091 0.776 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.463 -32.103 2.569 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.111 -30.989 2.535 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.604 -31.078 1.617 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.238 -29.339 -0.174 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.095 -29.837 0.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.879 -27.647 -2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.385 -28.161 -1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.585 -27.071 -2.830 1.00 0.00 H new ATOM 454 N SER A 404 -1.383 -34.729 2.194 1.00 0.00 N ATOM 455 CA SER A 404 -1.062 -35.950 2.920 1.00 0.00 C ATOM 456 C SER A 404 0.021 -36.714 2.159 1.00 0.00 C ATOM 457 O SER A 404 1.035 -37.115 2.732 1.00 0.00 O ATOM 458 CB SER A 404 -2.327 -36.797 3.073 1.00 0.00 C ATOM 459 OG SER A 404 -2.028 -38.083 3.574 1.00 0.00 O ATOM 0 H SER A 404 -2.361 -34.667 1.913 1.00 0.00 H new ATOM 0 HA SER A 404 -0.686 -35.711 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 404 -3.023 -36.296 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 404 -2.825 -36.888 2.108 1.00 0.00 H new ATOM 0 HG SER A 404 -2.856 -38.600 3.662 1.00 0.00 H new ATOM 465 N LYS A 405 -0.194 -36.902 0.851 1.00 0.00 N ATOM 466 CA LYS A 405 0.750 -37.602 -0.004 1.00 0.00 C ATOM 467 C LYS A 405 2.110 -36.906 0.115 1.00 0.00 C ATOM 468 O LYS A 405 3.121 -37.549 0.387 1.00 0.00 O ATOM 469 CB LYS A 405 0.273 -37.674 -1.468 1.00 0.00 C ATOM 470 CG LYS A 405 -1.241 -37.585 -1.735 1.00 0.00 C ATOM 471 CD LYS A 405 -2.128 -38.595 -0.995 1.00 0.00 C ATOM 472 CE LYS A 405 -3.552 -38.640 -1.578 1.00 0.00 C ATOM 473 NZ LYS A 405 -4.164 -37.307 -1.785 1.00 0.00 N ATOM 0 H LYS A 405 -1.027 -36.571 0.365 1.00 0.00 H new ATOM 0 HA LYS A 405 0.833 -38.637 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.758 -36.868 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 405 0.633 -38.611 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -1.575 -36.581 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.406 -37.706 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -1.679 -39.586 -1.056 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -2.176 -38.331 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -3.526 -39.168 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -4.188 -39.220 -0.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -5.179 -37.418 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -4.039 -36.731 -0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -3.704 -36.835 -2.590 1.00 0.00 H new ATOM 487 N ILE A 406 2.114 -35.580 -0.066 1.00 0.00 N ATOM 488 CA ILE A 406 3.293 -34.733 0.035 1.00 0.00 C ATOM 489 C ILE A 406 3.998 -34.957 1.376 1.00 0.00 C ATOM 490 O ILE A 406 5.214 -35.110 1.380 1.00 0.00 O ATOM 491 CB ILE A 406 2.911 -33.264 -0.248 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.788 -33.076 -1.770 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.920 -32.273 0.341 1.00 0.00 C ATOM 494 CD1 ILE A 406 2.131 -31.752 -2.175 1.00 0.00 C ATOM 0 H ILE A 406 1.268 -35.058 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 406 4.023 -35.006 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 406 1.958 -33.054 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.781 -33.130 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 406 2.208 -33.901 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.605 -31.255 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.971 -32.405 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.903 -32.454 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 406 2.078 -31.689 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 406 1.124 -31.703 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.722 -30.920 -1.792 1.00 0.00 H new ATOM 506 N LEU A 407 3.268 -35.001 2.500 1.00 0.00 N ATOM 507 CA LEU A 407 3.851 -35.242 3.818 1.00 0.00 C ATOM 508 C LEU A 407 4.573 -36.588 3.851 1.00 0.00 C ATOM 509 O LEU A 407 5.674 -36.681 4.395 1.00 0.00 O ATOM 510 CB LEU A 407 2.776 -35.199 4.919 1.00 0.00 C ATOM 511 CG LEU A 407 2.409 -33.766 5.321 1.00 0.00 C ATOM 512 CD1 LEU A 407 1.020 -33.727 5.969 1.00 0.00 C ATOM 513 CD2 LEU A 407 3.431 -33.202 6.318 1.00 0.00 C ATOM 0 H LEU A 407 2.257 -34.870 2.516 1.00 0.00 H new ATOM 0 HA LEU A 407 4.572 -34.447 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 407 1.882 -35.716 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 407 3.135 -35.739 5.795 1.00 0.00 H new ATOM 0 HG LEU A 407 2.410 -33.160 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 407 0.777 -32.702 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 407 0.278 -34.096 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 407 1.016 -34.355 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 407 3.151 -32.184 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 407 3.448 -33.825 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 407 4.420 -33.196 5.861 1.00 0.00 H new ATOM 525 N LEU A 408 3.960 -37.631 3.275 1.00 0.00 N ATOM 526 CA LEU A 408 4.558 -38.959 3.241 1.00 0.00 C ATOM 527 C LEU A 408 5.839 -38.940 2.403 1.00 0.00 C ATOM 528 O LEU A 408 6.858 -39.483 2.827 1.00 0.00 O ATOM 529 CB LEU A 408 3.560 -40.005 2.711 1.00 0.00 C ATOM 530 CG LEU A 408 2.749 -40.691 3.825 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.791 -39.736 4.543 1.00 0.00 C ATOM 532 CD2 LEU A 408 1.942 -41.848 3.223 1.00 0.00 C ATOM 0 H LEU A 408 3.046 -37.573 2.826 1.00 0.00 H new ATOM 0 HA LEU A 408 4.818 -39.246 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 408 2.873 -39.522 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 408 4.104 -40.763 2.147 1.00 0.00 H new ATOM 0 HG LEU A 408 3.463 -41.051 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 408 1.248 -40.279 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 408 2.359 -38.925 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.083 -39.323 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.366 -42.337 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 408 1.264 -41.461 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 408 2.622 -42.569 2.770 1.00 0.00 H new ATOM 544 N HIS A 409 5.792 -38.322 1.218 1.00 0.00 N ATOM 545 CA HIS A 409 6.937 -38.237 0.322 1.00 0.00 C ATOM 546 C HIS A 409 8.091 -37.438 0.935 1.00 0.00 C ATOM 547 O HIS A 409 9.228 -37.905 0.939 1.00 0.00 O ATOM 548 CB HIS A 409 6.514 -37.608 -1.013 1.00 0.00 C ATOM 549 CG HIS A 409 5.516 -38.424 -1.797 1.00 0.00 C ATOM 550 ND1 HIS A 409 4.255 -38.141 -2.264 1.00 0.00 N flip ATOM 551 CD2 HIS A 409 5.770 -39.724 -2.206 1.00 0.00 C flip ATOM 552 CE1 HIS A 409 3.724 -39.229 -2.948 1.00 0.00 C flip ATOM 553 NE2 HIS A 409 4.686 -40.151 -2.876 1.00 0.00 N flip ATOM 0 H HIS A 409 4.953 -37.867 0.857 1.00 0.00 H new ATOM 0 HA HIS A 409 7.296 -39.252 0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.088 -36.624 -0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.402 -37.455 -1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 409 6.672 -40.289 -2.021 1.00 0.00 H new ATOM 0 HE1 HIS A 409 2.759 -39.309 -3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 409 4.607 -41.082 -3.286 1.00 0.00 H new ATOM 561 N TYR A 410 7.797 -36.229 1.423 1.00 0.00 N ATOM 562 CA TYR A 410 8.755 -35.298 2.001 1.00 0.00 C ATOM 563 C TYR A 410 8.159 -34.660 3.260 1.00 0.00 C ATOM 564 O TYR A 410 7.111 -34.021 3.196 1.00 0.00 O ATOM 565 CB TYR A 410 9.069 -34.217 0.958 1.00 0.00 C ATOM 566 CG TYR A 410 9.439 -34.722 -0.425 1.00 0.00 C ATOM 567 CD1 TYR A 410 10.580 -35.525 -0.601 1.00 0.00 C ATOM 568 CD2 TYR A 410 8.642 -34.389 -1.538 1.00 0.00 C ATOM 569 CE1 TYR A 410 10.922 -35.994 -1.881 1.00 0.00 C ATOM 570 CE2 TYR A 410 8.985 -34.855 -2.820 1.00 0.00 C ATOM 571 CZ TYR A 410 10.125 -35.658 -2.989 1.00 0.00 C ATOM 572 OH TYR A 410 10.463 -36.119 -4.229 1.00 0.00 O ATOM 0 H TYR A 410 6.845 -35.863 1.423 1.00 0.00 H new ATOM 0 HA TYR A 410 9.670 -35.821 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 410 8.201 -33.564 0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 410 9.889 -33.605 1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 410 11.195 -35.782 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 410 7.764 -33.774 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 410 11.797 -36.613 -2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 410 8.374 -34.596 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 410 10.923 -36.980 -4.144 1.00 0.00 H new ATOM 582 N LYS A 411 8.820 -34.829 4.409 1.00 0.00 N ATOM 583 CA LYS A 411 8.355 -34.292 5.683 1.00 0.00 C ATOM 584 C LYS A 411 8.526 -32.768 5.778 1.00 0.00 C ATOM 585 O LYS A 411 9.222 -32.155 4.970 1.00 0.00 O ATOM 586 CB LYS A 411 9.070 -35.011 6.836 1.00 0.00 C ATOM 587 CG LYS A 411 8.747 -36.513 6.838 1.00 0.00 C ATOM 588 CD LYS A 411 9.490 -37.273 7.948 1.00 0.00 C ATOM 589 CE LYS A 411 9.195 -36.779 9.371 1.00 0.00 C ATOM 590 NZ LYS A 411 7.753 -36.789 9.680 1.00 0.00 N ATOM 0 H LYS A 411 9.697 -35.345 4.478 1.00 0.00 H new ATOM 0 HA LYS A 411 7.283 -34.478 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.147 -34.868 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.768 -34.570 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.673 -36.650 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 411 9.011 -36.940 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 411 9.230 -38.329 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 411 10.562 -37.197 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 411 9.722 -37.408 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 411 9.583 -35.767 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 7.607 -36.496 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 7.258 -36.130 9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 7.376 -37.749 9.544 1.00 0.00 H new ATOM 604 N PHE A 412 7.868 -32.178 6.784 1.00 0.00 N ATOM 605 CA PHE A 412 7.854 -30.752 7.100 1.00 0.00 C ATOM 606 C PHE A 412 8.025 -30.576 8.611 1.00 0.00 C ATOM 607 O PHE A 412 7.961 -31.554 9.360 1.00 0.00 O ATOM 608 CB PHE A 412 6.522 -30.142 6.639 1.00 0.00 C ATOM 609 CG PHE A 412 6.397 -29.974 5.137 1.00 0.00 C ATOM 610 CD1 PHE A 412 6.113 -31.079 4.315 1.00 0.00 C ATOM 611 CD2 PHE A 412 6.570 -28.704 4.559 1.00 0.00 C ATOM 612 CE1 PHE A 412 6.005 -30.917 2.926 1.00 0.00 C ATOM 613 CE2 PHE A 412 6.459 -28.543 3.169 1.00 0.00 C ATOM 614 CZ PHE A 412 6.175 -29.647 2.349 1.00 0.00 C ATOM 0 H PHE A 412 7.299 -32.719 7.435 1.00 0.00 H new ATOM 0 HA PHE A 412 8.670 -30.244 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 412 5.706 -30.773 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 412 6.399 -29.168 7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 412 5.978 -32.056 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 412 6.788 -27.852 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 412 5.791 -31.770 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 412 6.593 -27.566 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 412 6.088 -29.521 1.280 1.00 0.00 H new ATOM 624 N ASN A 413 8.235 -29.333 9.064 1.00 0.00 N ATOM 625 CA ASN A 413 8.413 -29.008 10.475 1.00 0.00 C ATOM 626 C ASN A 413 7.073 -29.060 11.214 1.00 0.00 C ATOM 627 O ASN A 413 6.497 -28.025 11.539 1.00 0.00 O ATOM 628 CB ASN A 413 9.092 -27.637 10.633 1.00 0.00 C ATOM 629 CG ASN A 413 10.577 -27.676 10.272 1.00 0.00 C ATOM 630 OD1 ASN A 413 11.317 -28.511 10.783 1.00 0.00 O ATOM 631 ND2 ASN A 413 11.034 -26.767 9.410 1.00 0.00 N ATOM 0 H ASN A 413 8.286 -28.520 8.450 1.00 0.00 H new ATOM 0 HA ASN A 413 9.067 -29.755 10.924 1.00 0.00 H new ATOM 0 HB2 ASN A 413 8.586 -26.909 9.999 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.980 -27.296 11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 413 12.023 -26.754 9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 413 10.395 -26.085 9.001 1.00 0.00 H new ATOM 638 N ASN A 414 6.598 -30.283 11.479 1.00 0.00 N ATOM 639 CA ASN A 414 5.365 -30.599 12.195 1.00 0.00 C ATOM 640 C ASN A 414 4.176 -29.823 11.623 1.00 0.00 C ATOM 641 O ASN A 414 3.634 -28.935 12.283 1.00 0.00 O ATOM 642 CB ASN A 414 5.524 -30.367 13.707 1.00 0.00 C ATOM 643 CG ASN A 414 6.888 -30.799 14.239 1.00 0.00 C ATOM 644 OD1 ASN A 414 7.185 -31.989 14.306 1.00 0.00 O ATOM 645 ND2 ASN A 414 7.726 -29.827 14.604 1.00 0.00 N ATOM 0 H ASN A 414 7.095 -31.123 11.181 1.00 0.00 H new ATOM 0 HA ASN A 414 5.158 -31.659 12.050 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.374 -29.309 13.924 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.744 -30.914 14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 414 8.655 -30.060 14.955 1.00 0.00 H new ATOM 0 HD22 ASN A 414 7.438 -28.851 14.532 1.00 0.00 H new ATOM 652 N ARG A 415 3.779 -30.157 10.391 1.00 0.00 N ATOM 653 CA ARG A 415 2.678 -29.510 9.692 1.00 0.00 C ATOM 654 C ARG A 415 1.670 -30.546 9.209 1.00 0.00 C ATOM 655 O ARG A 415 1.997 -31.725 9.070 1.00 0.00 O ATOM 656 CB ARG A 415 3.223 -28.663 8.543 1.00 0.00 C ATOM 657 CG ARG A 415 4.354 -27.768 9.057 1.00 0.00 C ATOM 658 CD ARG A 415 4.598 -26.636 8.074 1.00 0.00 C ATOM 659 NE ARG A 415 5.858 -25.948 8.367 1.00 0.00 N ATOM 660 CZ ARG A 415 6.015 -24.902 9.191 1.00 0.00 C ATOM 661 NH1 ARG A 415 4.991 -24.413 9.900 1.00 0.00 N ATOM 662 NH2 ARG A 415 7.217 -24.324 9.303 1.00 0.00 N ATOM 0 H ARG A 415 4.224 -30.897 9.848 1.00 0.00 H new ATOM 0 HA ARG A 415 2.152 -28.846 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 415 3.590 -29.308 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 415 2.426 -28.052 8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 415 4.095 -27.363 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.264 -28.354 9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.623 -27.031 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 415 3.773 -25.926 8.120 1.00 0.00 H new ATOM 0 HE ARG A 415 6.695 -26.298 7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 415 4.067 -24.837 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 415 5.135 -23.616 10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 415 8.006 -24.680 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.344 -23.528 9.928 1.00 0.00 H new ATOM 676 N THR A 416 0.439 -30.087 8.983 1.00 0.00 N ATOM 677 CA THR A 416 -0.698 -30.894 8.572 1.00 0.00 C ATOM 678 C THR A 416 -1.174 -30.546 7.164 1.00 0.00 C ATOM 679 O THR A 416 -0.703 -29.593 6.540 1.00 0.00 O ATOM 680 CB THR A 416 -1.843 -30.588 9.550 1.00 0.00 C ATOM 681 OG1 THR A 416 -2.221 -29.233 9.378 1.00 0.00 O ATOM 682 CG2 THR A 416 -1.440 -30.836 11.009 1.00 0.00 C ATOM 0 H THR A 416 0.202 -29.100 9.087 1.00 0.00 H new ATOM 0 HA THR A 416 -0.404 -31.944 8.575 1.00 0.00 H new ATOM 0 HB THR A 416 -2.676 -31.257 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 416 -1.632 -28.659 9.910 1.00 0.00 H new ATOM 0 HG21 THR A 416 -2.281 -30.606 11.663 1.00 0.00 H new ATOM 0 HG22 THR A 416 -1.157 -31.881 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 416 -0.595 -30.197 11.267 1.00 0.00 H new ATOM 690 N SER A 417 -2.163 -31.317 6.698 1.00 0.00 N ATOM 691 CA SER A 417 -2.823 -31.108 5.420 1.00 0.00 C ATOM 692 C SER A 417 -3.406 -29.688 5.408 1.00 0.00 C ATOM 693 O SER A 417 -3.345 -29.005 4.389 1.00 0.00 O ATOM 694 CB SER A 417 -3.893 -32.195 5.223 1.00 0.00 C ATOM 695 OG SER A 417 -4.586 -32.046 3.999 1.00 0.00 O ATOM 0 H SER A 417 -2.528 -32.117 7.214 1.00 0.00 H new ATOM 0 HA SER A 417 -2.126 -31.192 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 417 -3.421 -33.177 5.254 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.604 -32.157 6.048 1.00 0.00 H new ATOM 0 HG SER A 417 -5.255 -32.757 3.913 1.00 0.00 H new ATOM 701 N VAL A 418 -3.942 -29.236 6.555 1.00 0.00 N ATOM 702 CA VAL A 418 -4.499 -27.901 6.730 1.00 0.00 C ATOM 703 C VAL A 418 -3.405 -26.861 6.472 1.00 0.00 C ATOM 704 O VAL A 418 -3.581 -25.999 5.616 1.00 0.00 O ATOM 705 CB VAL A 418 -5.109 -27.737 8.138 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.658 -26.320 8.347 1.00 0.00 C ATOM 707 CG2 VAL A 418 -6.248 -28.731 8.383 1.00 0.00 C ATOM 0 H VAL A 418 -3.997 -29.807 7.398 1.00 0.00 H new ATOM 0 HA VAL A 418 -5.306 -27.751 6.013 1.00 0.00 H new ATOM 0 HB VAL A 418 -4.301 -27.930 8.843 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -6.081 -26.238 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.851 -25.597 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.433 -26.118 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.651 -28.583 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -7.036 -28.570 7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.869 -29.749 8.291 1.00 0.00 H new ATOM 717 N MET A 419 -2.283 -26.941 7.202 1.00 0.00 N ATOM 718 CA MET A 419 -1.162 -26.012 7.048 1.00 0.00 C ATOM 719 C MET A 419 -0.752 -25.879 5.576 1.00 0.00 C ATOM 720 O MET A 419 -0.692 -24.774 5.035 1.00 0.00 O ATOM 721 CB MET A 419 0.042 -26.498 7.870 1.00 0.00 C ATOM 722 CG MET A 419 0.071 -26.014 9.322 1.00 0.00 C ATOM 723 SD MET A 419 -1.399 -26.359 10.320 1.00 0.00 S ATOM 724 CE MET A 419 -0.783 -25.790 11.917 1.00 0.00 C ATOM 0 H MET A 419 -2.130 -27.654 7.916 1.00 0.00 H new ATOM 0 HA MET A 419 -1.484 -25.035 7.409 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.050 -27.588 7.866 1.00 0.00 H new ATOM 0 HB3 MET A 419 0.957 -26.171 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 419 0.931 -26.466 9.815 1.00 0.00 H new ATOM 0 HG3 MET A 419 0.236 -24.937 9.319 1.00 0.00 H new ATOM 0 HE1 MET A 419 -1.556 -25.923 12.674 1.00 0.00 H new ATOM 0 HE2 MET A 419 0.099 -26.368 12.194 1.00 0.00 H new ATOM 0 HE3 MET A 419 -0.518 -24.735 11.850 1.00 0.00 H new ATOM 734 N LEU A 420 -0.463 -27.017 4.939 1.00 0.00 N ATOM 735 CA LEU A 420 -0.040 -27.096 3.547 1.00 0.00 C ATOM 736 C LEU A 420 -1.075 -26.461 2.616 1.00 0.00 C ATOM 737 O LEU A 420 -0.723 -25.626 1.782 1.00 0.00 O ATOM 738 CB LEU A 420 0.203 -28.569 3.207 1.00 0.00 C ATOM 739 CG LEU A 420 1.423 -29.136 3.953 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.299 -30.646 4.141 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.726 -28.876 3.194 1.00 0.00 C ATOM 0 H LEU A 420 -0.520 -27.929 5.392 1.00 0.00 H new ATOM 0 HA LEU A 420 0.883 -26.533 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.682 -29.151 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.354 -28.674 2.133 1.00 0.00 H new ATOM 0 HG LEU A 420 1.449 -28.629 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.175 -31.020 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.402 -30.868 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.231 -31.130 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.563 -29.292 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.676 -29.348 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.869 -27.802 3.073 1.00 0.00 H new ATOM 753 N LYS A 421 -2.347 -26.847 2.769 1.00 0.00 N ATOM 754 CA LYS A 421 -3.463 -26.333 1.988 1.00 0.00 C ATOM 755 C LYS A 421 -3.514 -24.811 2.074 1.00 0.00 C ATOM 756 O LYS A 421 -3.495 -24.135 1.046 1.00 0.00 O ATOM 757 CB LYS A 421 -4.763 -26.982 2.495 1.00 0.00 C ATOM 758 CG LYS A 421 -6.063 -26.411 1.903 1.00 0.00 C ATOM 759 CD LYS A 421 -6.690 -25.225 2.666 1.00 0.00 C ATOM 760 CE LYS A 421 -6.992 -25.522 4.144 1.00 0.00 C ATOM 761 NZ LYS A 421 -7.870 -24.500 4.750 1.00 0.00 N ATOM 0 H LYS A 421 -2.629 -27.544 3.459 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.336 -26.587 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.724 -28.050 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.802 -26.878 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.864 -26.094 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.799 -27.214 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.015 -24.371 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.615 -24.934 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -7.465 -26.500 4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -6.057 -25.572 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.992 -24.703 5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.440 -23.560 4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -8.797 -24.516 4.280 1.00 0.00 H new ATOM 775 N ASP A 422 -3.590 -24.283 3.300 1.00 0.00 N ATOM 776 CA ASP A 422 -3.675 -22.854 3.554 1.00 0.00 C ATOM 777 C ASP A 422 -2.513 -22.107 2.922 1.00 0.00 C ATOM 778 O ASP A 422 -2.722 -21.116 2.222 1.00 0.00 O ATOM 779 CB ASP A 422 -3.796 -22.565 5.053 1.00 0.00 C ATOM 780 CG ASP A 422 -5.189 -22.904 5.565 1.00 0.00 C ATOM 781 OD1 ASP A 422 -6.164 -22.354 5.000 1.00 0.00 O ATOM 782 OD2 ASP A 422 -5.278 -23.725 6.500 1.00 0.00 O ATOM 0 H ASP A 422 -3.594 -24.848 4.149 1.00 0.00 H new ATOM 0 HA ASP A 422 -4.584 -22.485 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -3.053 -23.145 5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -3.581 -21.513 5.242 1.00 0.00 H new ATOM 787 N ARG A 423 -1.287 -22.576 3.159 1.00 0.00 N ATOM 788 CA ARG A 423 -0.130 -21.916 2.592 1.00 0.00 C ATOM 789 C ARG A 423 -0.179 -21.899 1.068 1.00 0.00 C ATOM 790 O ARG A 423 0.042 -20.846 0.476 1.00 0.00 O ATOM 791 CB ARG A 423 1.159 -22.563 3.083 1.00 0.00 C ATOM 792 CG ARG A 423 2.335 -21.694 2.619 1.00 0.00 C ATOM 793 CD ARG A 423 3.630 -22.223 3.217 1.00 0.00 C ATOM 794 NE ARG A 423 4.460 -21.139 3.743 1.00 0.00 N ATOM 795 CZ ARG A 423 5.301 -20.374 3.043 1.00 0.00 C ATOM 796 NH1 ARG A 423 5.423 -20.534 1.722 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.008 -19.447 3.691 1.00 0.00 N ATOM 0 H ARG A 423 -1.080 -23.396 3.730 1.00 0.00 H new ATOM 0 HA ARG A 423 -0.148 -20.881 2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.153 -22.647 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 423 1.253 -23.574 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 423 2.397 -21.699 1.531 1.00 0.00 H new ATOM 0 HG3 ARG A 423 2.178 -20.659 2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.402 -22.928 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 423 4.186 -22.772 2.457 1.00 0.00 H new ATOM 0 HE ARG A 423 4.389 -20.949 4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 423 4.871 -21.245 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 423 6.068 -19.945 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 423 5.899 -19.335 4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.657 -18.850 3.179 1.00 0.00 H new ATOM 811 N TRP A 424 -0.449 -23.040 0.421 1.00 0.00 N ATOM 812 CA TRP A 424 -0.474 -23.067 -1.026 1.00 0.00 C ATOM 813 C TRP A 424 -1.556 -22.153 -1.596 1.00 0.00 C ATOM 814 O TRP A 424 -1.290 -21.461 -2.576 1.00 0.00 O ATOM 815 CB TRP A 424 -0.592 -24.488 -1.565 1.00 0.00 C ATOM 816 CG TRP A 424 -0.451 -24.527 -3.053 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.457 -24.751 -3.922 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.742 -24.324 -3.869 1.00 0.00 C ATOM 819 NE1 TRP A 424 -0.980 -24.711 -5.213 1.00 0.00 N ATOM 820 CE2 TRP A 424 0.373 -24.446 -5.241 1.00 0.00 C ATOM 821 CE3 TRP A 424 2.100 -24.048 -3.593 1.00 0.00 C ATOM 822 CZ2 TRP A 424 1.298 -24.301 -6.285 1.00 0.00 C ATOM 823 CZ3 TRP A 424 3.037 -23.901 -4.634 1.00 0.00 C ATOM 824 CH2 TRP A 424 2.640 -24.026 -5.977 1.00 0.00 C ATOM 0 H TRP A 424 -0.648 -23.932 0.874 1.00 0.00 H new ATOM 0 HA TRP A 424 0.484 -22.674 -1.366 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.175 -25.115 -1.110 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.557 -24.907 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.485 -24.935 -3.646 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -1.554 -24.859 -6.043 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.424 -23.948 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 0.982 -24.400 -7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 4.070 -23.690 -4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 424 3.365 -23.911 -6.769 1.00 0.00 H new ATOM 835 N ARG A 425 -2.763 -22.125 -1.010 1.00 0.00 N ATOM 836 CA ARG A 425 -3.798 -21.242 -1.532 1.00 0.00 C ATOM 837 C ARG A 425 -3.385 -19.773 -1.367 1.00 0.00 C ATOM 838 O ARG A 425 -3.562 -18.991 -2.301 1.00 0.00 O ATOM 839 CB ARG A 425 -5.207 -21.586 -1.034 1.00 0.00 C ATOM 840 CG ARG A 425 -5.431 -21.384 0.462 1.00 0.00 C ATOM 841 CD ARG A 425 -6.838 -21.861 0.825 1.00 0.00 C ATOM 842 NE ARG A 425 -7.118 -21.692 2.259 1.00 0.00 N ATOM 843 CZ ARG A 425 -8.323 -21.422 2.778 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.415 -21.426 2.006 1.00 0.00 N ATOM 845 NH2 ARG A 425 -8.414 -21.160 4.087 1.00 0.00 N ATOM 0 H ARG A 425 -3.034 -22.686 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.880 -21.414 -2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -5.927 -20.976 -1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -5.419 -22.626 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -4.687 -21.940 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -5.312 -20.332 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.572 -21.304 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -6.947 -22.911 0.554 1.00 0.00 H new ATOM 0 HE ARG A 425 -6.336 -21.788 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.335 -21.636 1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -10.327 -21.219 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -7.576 -21.168 4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -9.321 -20.952 4.504 1.00 0.00 H new ATOM 859 N THR A 426 -2.807 -19.392 -0.215 1.00 0.00 N ATOM 860 CA THR A 426 -2.335 -18.027 -0.004 1.00 0.00 C ATOM 861 C THR A 426 -1.290 -17.685 -1.070 1.00 0.00 C ATOM 862 O THR A 426 -1.392 -16.664 -1.750 1.00 0.00 O ATOM 863 CB THR A 426 -1.710 -17.861 1.395 1.00 0.00 C ATOM 864 OG1 THR A 426 -2.614 -18.209 2.419 1.00 0.00 O ATOM 865 CG2 THR A 426 -1.276 -16.410 1.626 1.00 0.00 C ATOM 0 H THR A 426 -2.659 -20.015 0.579 1.00 0.00 H new ATOM 0 HA THR A 426 -3.188 -17.353 -0.079 1.00 0.00 H new ATOM 0 HB THR A 426 -0.849 -18.529 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 426 -2.714 -19.183 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 426 -0.838 -16.315 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 426 -0.538 -16.127 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 426 -2.143 -15.754 1.548 1.00 0.00 H new ATOM 873 N MET A 427 -0.280 -18.551 -1.200 1.00 0.00 N ATOM 874 CA MET A 427 0.814 -18.382 -2.134 1.00 0.00 C ATOM 875 C MET A 427 0.309 -18.227 -3.564 1.00 0.00 C ATOM 876 O MET A 427 0.673 -17.262 -4.223 1.00 0.00 O ATOM 877 CB MET A 427 1.812 -19.543 -2.019 1.00 0.00 C ATOM 878 CG MET A 427 3.107 -19.240 -2.795 1.00 0.00 C ATOM 879 SD MET A 427 3.634 -20.457 -4.035 1.00 0.00 S ATOM 880 CE MET A 427 2.252 -20.399 -5.204 1.00 0.00 C ATOM 0 H MET A 427 -0.208 -19.403 -0.643 1.00 0.00 H new ATOM 0 HA MET A 427 1.335 -17.461 -1.873 1.00 0.00 H new ATOM 0 HB2 MET A 427 2.047 -19.722 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.358 -20.456 -2.405 1.00 0.00 H new ATOM 0 HG2 MET A 427 2.984 -18.279 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.914 -19.122 -2.072 1.00 0.00 H new ATOM 0 HE1 MET A 427 2.519 -20.942 -6.111 1.00 0.00 H new ATOM 0 HE2 MET A 427 1.373 -20.859 -4.752 1.00 0.00 H new ATOM 0 HE3 MET A 427 2.031 -19.362 -5.454 1.00 0.00 H new ATOM 890 N LYS A 428 -0.504 -19.159 -4.067 1.00 0.00 N ATOM 891 CA LYS A 428 -0.979 -19.080 -5.440 1.00 0.00 C ATOM 892 C LYS A 428 -1.842 -17.843 -5.676 1.00 0.00 C ATOM 893 O LYS A 428 -1.790 -17.272 -6.761 1.00 0.00 O ATOM 894 CB LYS A 428 -1.621 -20.393 -5.901 1.00 0.00 C ATOM 895 CG LYS A 428 -3.077 -20.582 -5.461 1.00 0.00 C ATOM 896 CD LYS A 428 -3.601 -21.980 -5.825 1.00 0.00 C ATOM 897 CE LYS A 428 -3.685 -22.165 -7.347 1.00 0.00 C ATOM 898 NZ LYS A 428 -4.153 -23.505 -7.735 1.00 0.00 N ATOM 0 H LYS A 428 -0.842 -19.968 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.110 -18.947 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -1.575 -20.442 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -1.029 -21.225 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.155 -20.433 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -3.702 -19.824 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -2.944 -22.739 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -4.587 -22.128 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.359 -21.416 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -2.702 -21.988 -7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.527 -23.475 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -3.360 -24.176 -7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -4.903 -23.813 -7.084 1.00 0.00 H new ATOM 912 N LYS A 429 -2.615 -17.419 -4.671 1.00 0.00 N ATOM 913 CA LYS A 429 -3.455 -16.237 -4.775 1.00 0.00 C ATOM 914 C LYS A 429 -2.601 -14.978 -4.949 1.00 0.00 C ATOM 915 O LYS A 429 -2.844 -14.193 -5.862 1.00 0.00 O ATOM 916 CB LYS A 429 -4.355 -16.148 -3.532 1.00 0.00 C ATOM 917 CG LYS A 429 -5.197 -14.866 -3.495 1.00 0.00 C ATOM 918 CD LYS A 429 -6.117 -14.888 -2.266 1.00 0.00 C ATOM 919 CE LYS A 429 -6.798 -13.535 -2.025 1.00 0.00 C ATOM 920 NZ LYS A 429 -7.650 -13.124 -3.156 1.00 0.00 N ATOM 0 H LYS A 429 -2.671 -17.889 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.089 -16.314 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -5.018 -17.013 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -3.735 -16.196 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -4.546 -13.993 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -5.791 -14.783 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -6.878 -15.657 -2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -5.537 -15.162 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -7.403 -13.592 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -6.037 -12.774 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -8.087 -12.204 -2.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -7.070 -13.042 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -8.394 -13.835 -3.306 1.00 0.00 H new