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= 0.262 USER MOD Set 1.2: A 419 MET CE :methyl 172:sc= 0 (180deg=-0.0662) USER MOD Set 2.1: A 402 ASN : amide:sc= 1.55 K(o=2.8,f=-5.7!) USER MOD Set 2.2: A 405 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0) USER MOD Set 3.1: A 390 ASN : amide:sc= -0.696 K(o=4.6,f=3.8) USER MOD Set 3.2: A 393 SER OG : rot -51:sc= 2.1 USER MOD Set 3.3: A 397 LYS NZ :NH3+ 162:sc= 2.28 (180deg=0) USER MOD Set 3.4: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 3.5: A 410 TYR OH : rot 130:sc= 0.922 USER MOD Set 4.1: A 381 GLN : amide:sc= 0.813 K(o=1.5,f=-0.64) USER MOD Set 4.2: A 413 ASN : amide:sc= 0.53 K(o=1.5,f=-0.44) USER MOD Set 4.3: A 414 ASN : amide:sc= 0.2 K(o=1.5,f=0.82) USER MOD Single : A 389 LYS NZ :NH3+ 169:sc= 0.986 (180deg=0.71) USER MOD Single : A 404 SER OG : rot 180:sc=-0.00349 USER MOD Single : A 409 HIS : no HD1:sc= -0.375 X(o=-0.37,f=-0.011) USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 LYS NZ :NH3+ 173:sc= 0.238 (180deg=0.087) USER MOD Single : A 426 THR OG1 : rot 80:sc= 0.592 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ -145:sc= 0.0647 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N GLN A 381 5.741 -20.577 13.537 1.00 0.00 N ATOM 72 CA GLN A 381 7.023 -20.560 12.845 1.00 0.00 C ATOM 73 C GLN A 381 6.852 -20.304 11.346 1.00 0.00 C ATOM 74 O GLN A 381 5.986 -20.889 10.696 1.00 0.00 O ATOM 75 CB GLN A 381 7.756 -21.881 13.131 1.00 0.00 C ATOM 76 CG GLN A 381 7.070 -23.080 12.461 1.00 0.00 C ATOM 77 CD GLN A 381 7.485 -24.421 13.049 1.00 0.00 C ATOM 78 OE1 GLN A 381 8.195 -25.196 12.412 1.00 0.00 O ATOM 79 NE2 GLN A 381 7.020 -24.717 14.260 1.00 0.00 N ATOM 0 HA GLN A 381 7.628 -19.734 13.219 1.00 0.00 H new ATOM 0 HB2 GLN A 381 8.784 -21.808 12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 381 7.800 -22.045 14.208 1.00 0.00 H new ATOM 0 HG2 GLN A 381 5.990 -22.970 12.554 1.00 0.00 H new ATOM 0 HG3 GLN A 381 7.300 -23.072 11.396 1.00 0.00 H new ATOM 0 HE21 GLN A 381 6.433 -24.048 14.759 1.00 0.00 H new ATOM 0 HE22 GLN A 381 7.250 -25.613 14.690 1.00 0.00 H new ATOM 88 N ALA A 382 7.699 -19.429 10.794 1.00 0.00 N ATOM 89 CA ALA A 382 7.695 -19.092 9.378 1.00 0.00 C ATOM 90 C ALA A 382 8.192 -20.287 8.567 1.00 0.00 C ATOM 91 O ALA A 382 8.872 -21.160 9.108 1.00 0.00 O ATOM 92 CB ALA A 382 8.591 -17.872 9.147 1.00 0.00 C ATOM 0 H ALA A 382 8.412 -18.933 11.329 1.00 0.00 H new ATOM 0 HA ALA A 382 6.682 -18.851 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 382 8.591 -17.616 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 382 8.213 -17.028 9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 382 9.608 -18.102 9.465 1.00 0.00 H new ATOM 98 N TRP A 383 7.858 -20.336 7.275 1.00 0.00 N ATOM 99 CA TRP A 383 8.293 -21.419 6.402 1.00 0.00 C ATOM 100 C TRP A 383 9.689 -21.142 5.852 1.00 0.00 C ATOM 101 O TRP A 383 10.037 -20.001 5.549 1.00 0.00 O ATOM 102 CB TRP A 383 7.279 -21.675 5.292 1.00 0.00 C ATOM 103 CG TRP A 383 5.990 -22.304 5.734 1.00 0.00 C ATOM 104 CD1 TRP A 383 5.105 -21.775 6.608 1.00 0.00 C ATOM 105 CD2 TRP A 383 5.425 -23.587 5.333 1.00 0.00 C ATOM 106 NE1 TRP A 383 4.033 -22.625 6.774 1.00 0.00 N ATOM 107 CE2 TRP A 383 4.179 -23.760 6.005 1.00 0.00 C ATOM 108 CE3 TRP A 383 5.833 -24.623 4.464 1.00 0.00 C ATOM 109 CZ2 TRP A 383 3.381 -24.898 5.825 1.00 0.00 C ATOM 110 CZ3 TRP A 383 5.041 -25.771 4.279 1.00 0.00 C ATOM 111 CH2 TRP A 383 3.819 -25.907 4.957 1.00 0.00 C ATOM 0 H TRP A 383 7.284 -19.631 6.812 1.00 0.00 H new ATOM 0 HA TRP A 383 8.351 -22.333 6.993 1.00 0.00 H new ATOM 0 HB2 TRP A 383 7.053 -20.727 4.803 1.00 0.00 H new ATOM 0 HB3 TRP A 383 7.740 -22.318 4.542 1.00 0.00 H new ATOM 0 HD1 TRP A 383 5.221 -20.823 7.105 1.00 0.00 H new ATOM 0 HE1 TRP A 383 3.237 -22.439 7.385 1.00 0.00 H new ATOM 0 HE3 TRP A 383 6.769 -24.532 3.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 2.441 -24.996 6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 5.375 -26.552 3.612 1.00 0.00 H new ATOM 0 HH2 TRP A 383 3.216 -26.791 4.809 1.00 0.00 H new ATOM 122 N LEU A 384 10.479 -22.212 5.743 1.00 0.00 N ATOM 123 CA LEU A 384 11.849 -22.205 5.254 1.00 0.00 C ATOM 124 C LEU A 384 11.866 -22.737 3.823 1.00 0.00 C ATOM 125 O LEU A 384 10.911 -23.399 3.408 1.00 0.00 O ATOM 126 CB LEU A 384 12.734 -23.035 6.193 1.00 0.00 C ATOM 127 CG LEU A 384 12.781 -22.488 7.632 1.00 0.00 C ATOM 128 CD1 LEU A 384 11.738 -23.154 8.541 1.00 0.00 C ATOM 129 CD2 LEU A 384 14.175 -22.726 8.225 1.00 0.00 C ATOM 0 H LEU A 384 10.162 -23.145 6.006 1.00 0.00 H new ATOM 0 HA LEU A 384 12.250 -21.192 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 384 12.366 -24.061 6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 384 13.747 -23.067 5.791 1.00 0.00 H new ATOM 0 HG LEU A 384 12.556 -21.423 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 384 11.810 -22.735 9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 384 10.740 -22.973 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 384 11.923 -24.227 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 384 14.208 -22.339 9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 384 14.388 -23.795 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 384 14.921 -22.214 7.618 1.00 0.00 H new ATOM 141 N TRP A 385 12.942 -22.447 3.069 1.00 0.00 N ATOM 142 CA TRP A 385 13.047 -22.901 1.693 1.00 0.00 C ATOM 143 C TRP A 385 12.729 -24.376 1.556 1.00 0.00 C ATOM 144 O TRP A 385 11.727 -24.687 0.949 1.00 0.00 O ATOM 145 CB TRP A 385 14.370 -22.570 1.003 1.00 0.00 C ATOM 146 CG TRP A 385 15.606 -22.250 1.782 1.00 0.00 C ATOM 147 CD1 TRP A 385 16.532 -21.419 1.278 1.00 0.00 C ATOM 148 CD2 TRP A 385 16.122 -22.668 3.091 1.00 0.00 C ATOM 149 NE1 TRP A 385 17.575 -21.267 2.161 1.00 0.00 N ATOM 150 CE2 TRP A 385 17.376 -22.018 3.298 1.00 0.00 C ATOM 151 CE3 TRP A 385 15.678 -23.512 4.131 1.00 0.00 C ATOM 152 CZ2 TRP A 385 18.142 -22.198 4.460 1.00 0.00 C ATOM 153 CZ3 TRP A 385 16.437 -23.705 5.300 1.00 0.00 C ATOM 154 CH2 TRP A 385 17.667 -23.049 5.468 1.00 0.00 C ATOM 0 H TRP A 385 13.740 -21.903 3.397 1.00 0.00 H new ATOM 0 HA TRP A 385 12.288 -22.323 1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 385 14.612 -23.417 0.362 1.00 0.00 H new ATOM 0 HB3 TRP A 385 14.180 -21.719 0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 385 16.467 -20.937 0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 385 18.389 -20.676 1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 385 14.732 -24.023 4.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 19.086 -21.687 4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 16.071 -24.363 6.074 1.00 0.00 H new ATOM 0 HH2 TRP A 385 18.244 -23.199 6.369 1.00 0.00 H new ATOM 165 N GLU A 386 13.541 -25.279 2.100 1.00 0.00 N ATOM 166 CA GLU A 386 13.321 -26.717 2.018 1.00 0.00 C ATOM 167 C GLU A 386 11.842 -27.101 2.126 1.00 0.00 C ATOM 168 O GLU A 386 11.366 -27.877 1.302 1.00 0.00 O ATOM 169 CB GLU A 386 14.174 -27.465 3.053 1.00 0.00 C ATOM 170 CG GLU A 386 15.670 -27.120 2.988 1.00 0.00 C ATOM 171 CD GLU A 386 16.218 -27.182 1.570 1.00 0.00 C ATOM 172 OE1 GLU A 386 16.439 -28.310 1.076 1.00 0.00 O ATOM 173 OE2 GLU A 386 16.368 -26.101 0.956 1.00 0.00 O ATOM 0 H GLU A 386 14.383 -25.026 2.618 1.00 0.00 H new ATOM 0 HA GLU A 386 13.643 -27.026 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 386 13.801 -27.236 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 386 14.051 -28.538 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 386 15.827 -26.120 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 386 16.227 -27.811 3.621 1.00 0.00 H new ATOM 180 N GLU A 387 11.104 -26.552 3.099 1.00 0.00 N ATOM 181 CA GLU A 387 9.686 -26.843 3.224 1.00 0.00 C ATOM 182 C GLU A 387 8.928 -26.358 1.981 1.00 0.00 C ATOM 183 O GLU A 387 8.272 -27.159 1.319 1.00 0.00 O ATOM 184 CB GLU A 387 9.106 -26.243 4.512 1.00 0.00 C ATOM 185 CG GLU A 387 9.759 -26.809 5.780 1.00 0.00 C ATOM 186 CD GLU A 387 9.074 -26.248 7.021 1.00 0.00 C ATOM 187 OE1 GLU A 387 9.252 -25.035 7.268 1.00 0.00 O ATOM 188 OE2 GLU A 387 8.355 -27.018 7.695 1.00 0.00 O ATOM 0 H GLU A 387 11.469 -25.910 3.802 1.00 0.00 H new ATOM 0 HA GLU A 387 9.562 -27.924 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 387 9.237 -25.161 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 387 8.033 -26.434 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 387 9.690 -27.897 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 387 10.819 -26.556 5.796 1.00 0.00 H new ATOM 195 N ASP A 388 9.017 -25.063 1.654 1.00 0.00 N ATOM 196 CA ASP A 388 8.346 -24.476 0.492 1.00 0.00 C ATOM 197 C ASP A 388 8.768 -25.160 -0.811 1.00 0.00 C ATOM 198 O ASP A 388 7.940 -25.685 -1.541 1.00 0.00 O ATOM 199 CB ASP A 388 8.646 -22.974 0.412 1.00 0.00 C ATOM 200 CG ASP A 388 8.014 -22.184 1.549 1.00 0.00 C ATOM 201 OD1 ASP A 388 6.932 -22.598 2.013 1.00 0.00 O ATOM 202 OD2 ASP A 388 8.582 -21.129 1.903 1.00 0.00 O ATOM 0 H ASP A 388 9.561 -24.390 2.193 1.00 0.00 H new ATOM 0 HA ASP A 388 7.274 -24.628 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 388 9.725 -22.823 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 388 8.283 -22.586 -0.540 1.00 0.00 H new ATOM 207 N LYS A 389 10.066 -25.146 -1.096 1.00 0.00 N ATOM 208 CA LYS A 389 10.753 -25.725 -2.232 1.00 0.00 C ATOM 209 C LYS A 389 10.249 -27.156 -2.477 1.00 0.00 C ATOM 210 O LYS A 389 9.771 -27.481 -3.568 1.00 0.00 O ATOM 211 CB LYS A 389 12.269 -25.656 -1.916 1.00 0.00 C ATOM 212 CG LYS A 389 13.125 -26.124 -3.102 1.00 0.00 C ATOM 213 CD LYS A 389 14.618 -26.153 -2.742 1.00 0.00 C ATOM 214 CE LYS A 389 14.986 -27.422 -1.960 1.00 0.00 C ATOM 215 NZ LYS A 389 16.353 -27.353 -1.416 1.00 0.00 N ATOM 0 H LYS A 389 10.724 -24.681 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 389 10.557 -25.182 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 389 12.539 -24.633 -1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 389 12.487 -26.275 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 389 12.805 -27.119 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 389 12.967 -25.459 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 389 15.214 -26.101 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 389 14.867 -25.274 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 389 14.277 -27.565 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 389 14.898 -28.290 -2.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 16.500 -28.134 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 17.040 -27.430 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 16.486 -26.446 -0.925 1.00 0.00 H new ATOM 229 N ASN A 390 10.352 -28.013 -1.455 1.00 0.00 N ATOM 230 CA ASN A 390 9.930 -29.404 -1.538 1.00 0.00 C ATOM 231 C ASN A 390 8.411 -29.516 -1.725 1.00 0.00 C ATOM 232 O ASN A 390 7.960 -30.305 -2.551 1.00 0.00 O ATOM 233 CB ASN A 390 10.453 -30.164 -0.312 1.00 0.00 C ATOM 234 CG ASN A 390 10.549 -31.672 -0.502 1.00 0.00 C ATOM 235 OD1 ASN A 390 10.193 -32.210 -1.548 1.00 0.00 O ATOM 236 ND2 ASN A 390 11.076 -32.357 0.516 1.00 0.00 N ATOM 0 H ASN A 390 10.733 -27.754 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 390 10.363 -29.871 -2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 390 11.440 -29.779 -0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 390 9.799 -29.957 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 390 11.196 -33.367 0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 390 11.358 -31.870 1.367 1.00 0.00 H new ATOM 243 N LEU A 391 7.621 -28.720 -0.991 1.00 0.00 N ATOM 244 CA LEU A 391 6.163 -28.693 -1.095 1.00 0.00 C ATOM 245 C LEU A 391 5.742 -28.407 -2.538 1.00 0.00 C ATOM 246 O LEU A 391 4.953 -29.151 -3.115 1.00 0.00 O ATOM 247 CB LEU A 391 5.597 -27.630 -0.138 1.00 0.00 C ATOM 248 CG LEU A 391 4.099 -27.339 -0.319 1.00 0.00 C ATOM 249 CD1 LEU A 391 3.278 -28.608 -0.086 1.00 0.00 C ATOM 250 CD2 LEU A 391 3.685 -26.226 0.651 1.00 0.00 C ATOM 0 H LEU A 391 7.987 -28.067 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 391 5.762 -29.666 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 391 5.769 -27.955 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.153 -26.703 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 391 3.909 -27.007 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.219 -28.386 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.580 -29.373 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.449 -28.971 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 391 2.623 -26.013 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 391 3.875 -26.547 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.262 -25.326 0.439 1.00 0.00 H new ATOM 262 N ARG A 392 6.279 -27.327 -3.114 1.00 0.00 N ATOM 263 CA ARG A 392 6.021 -26.885 -4.475 1.00 0.00 C ATOM 264 C ARG A 392 6.306 -28.041 -5.431 1.00 0.00 C ATOM 265 O ARG A 392 5.481 -28.341 -6.296 1.00 0.00 O ATOM 266 CB ARG A 392 6.868 -25.639 -4.780 1.00 0.00 C ATOM 267 CG ARG A 392 6.365 -24.428 -3.974 1.00 0.00 C ATOM 268 CD ARG A 392 7.425 -23.335 -3.798 1.00 0.00 C ATOM 269 NE ARG A 392 7.741 -22.659 -5.064 1.00 0.00 N ATOM 270 CZ ARG A 392 8.449 -21.520 -5.159 1.00 0.00 C ATOM 271 NH1 ARG A 392 8.960 -20.944 -4.062 1.00 0.00 N ATOM 272 NH2 ARG A 392 8.642 -20.954 -6.358 1.00 0.00 N ATOM 0 H ARG A 392 6.930 -26.717 -2.620 1.00 0.00 H new ATOM 0 HA ARG A 392 4.977 -26.599 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 392 7.912 -25.835 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 392 6.825 -25.416 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 392 5.495 -24.003 -4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 392 6.035 -24.766 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 392 7.071 -22.601 -3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 392 8.333 -23.775 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 392 7.401 -23.082 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 392 8.813 -21.370 -3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 392 9.496 -20.080 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 392 8.252 -21.387 -7.195 1.00 0.00 H new ATOM 0 HH22 ARG A 392 9.179 -20.090 -6.434 1.00 0.00 H new ATOM 286 N SER A 393 7.457 -28.709 -5.263 1.00 0.00 N ATOM 287 CA SER A 393 7.785 -29.852 -6.104 1.00 0.00 C ATOM 288 C SER A 393 6.714 -30.941 -5.940 1.00 0.00 C ATOM 289 O SER A 393 6.243 -31.493 -6.931 1.00 0.00 O ATOM 290 CB SER A 393 9.218 -30.346 -5.844 1.00 0.00 C ATOM 291 OG SER A 393 9.296 -31.295 -4.800 1.00 0.00 O ATOM 0 H SER A 393 8.161 -28.477 -4.562 1.00 0.00 H new ATOM 0 HA SER A 393 7.773 -29.551 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 393 9.615 -30.787 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 393 9.851 -29.493 -5.600 1.00 0.00 H new ATOM 0 HG SER A 393 8.830 -30.951 -4.010 1.00 0.00 H new ATOM 297 N GLY A 394 6.316 -31.235 -4.693 1.00 0.00 N ATOM 298 CA GLY A 394 5.298 -32.216 -4.349 1.00 0.00 C ATOM 299 C GLY A 394 3.994 -31.943 -5.092 1.00 0.00 C ATOM 300 O GLY A 394 3.423 -32.855 -5.688 1.00 0.00 O ATOM 0 H GLY A 394 6.713 -30.775 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 394 5.656 -33.216 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.118 -32.195 -3.274 1.00 0.00 H new ATOM 304 N VAL A 395 3.532 -30.688 -5.069 1.00 0.00 N ATOM 305 CA VAL A 395 2.313 -30.301 -5.758 1.00 0.00 C ATOM 306 C VAL A 395 2.478 -30.508 -7.263 1.00 0.00 C ATOM 307 O VAL A 395 1.573 -31.031 -7.900 1.00 0.00 O ATOM 308 CB VAL A 395 1.895 -28.864 -5.414 1.00 0.00 C ATOM 309 CG1 VAL A 395 0.650 -28.489 -6.228 1.00 0.00 C ATOM 310 CG2 VAL A 395 1.540 -28.749 -3.928 1.00 0.00 C ATOM 0 H VAL A 395 3.993 -29.924 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 395 1.502 -30.943 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 395 2.727 -28.199 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 395 0.351 -27.469 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 395 0.877 -28.558 -7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -0.163 -29.173 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 395 1.246 -27.724 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 395 0.714 -29.422 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 395 2.407 -29.019 -3.325 1.00 0.00 H new ATOM 320 N ARG A 396 3.614 -30.125 -7.854 1.00 0.00 N ATOM 321 CA ARG A 396 3.798 -30.339 -9.286 1.00 0.00 C ATOM 322 C ARG A 396 3.842 -31.835 -9.634 1.00 0.00 C ATOM 323 O ARG A 396 3.409 -32.224 -10.716 1.00 0.00 O ATOM 324 CB ARG A 396 5.037 -29.597 -9.801 1.00 0.00 C ATOM 325 CG ARG A 396 4.780 -28.084 -9.854 1.00 0.00 C ATOM 326 CD ARG A 396 5.882 -27.364 -10.639 1.00 0.00 C ATOM 327 NE ARG A 396 5.521 -25.958 -10.876 1.00 0.00 N ATOM 328 CZ ARG A 396 6.112 -25.145 -11.768 1.00 0.00 C ATOM 329 NH1 ARG A 396 7.179 -25.559 -12.464 1.00 0.00 N ATOM 330 NH2 ARG A 396 5.629 -23.911 -11.964 1.00 0.00 N ATOM 0 H ARG A 396 4.397 -29.678 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 396 2.931 -29.920 -9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 396 5.887 -29.804 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 396 5.299 -29.962 -10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 396 3.813 -27.892 -10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 396 4.731 -27.685 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 396 6.821 -27.415 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 396 6.045 -27.868 -11.592 1.00 0.00 H new ATOM 0 HE ARG A 396 4.761 -25.569 -10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 396 7.549 -26.498 -12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 396 7.621 -24.935 -13.139 1.00 0.00 H new ATOM 0 HH21 ARG A 396 4.816 -23.592 -11.437 1.00 0.00 H new ATOM 0 HH22 ARG A 396 6.074 -23.290 -12.640 1.00 0.00 H new ATOM 344 N LYS A 397 4.362 -32.672 -8.729 1.00 0.00 N ATOM 345 CA LYS A 397 4.476 -34.111 -8.931 1.00 0.00 C ATOM 346 C LYS A 397 3.136 -34.846 -8.823 1.00 0.00 C ATOM 347 O LYS A 397 2.799 -35.621 -9.716 1.00 0.00 O ATOM 348 CB LYS A 397 5.466 -34.694 -7.912 1.00 0.00 C ATOM 349 CG LYS A 397 6.915 -34.293 -8.214 1.00 0.00 C ATOM 350 CD LYS A 397 7.765 -34.433 -6.946 1.00 0.00 C ATOM 351 CE LYS A 397 9.213 -34.002 -7.201 1.00 0.00 C ATOM 352 NZ LYS A 397 9.947 -33.814 -5.936 1.00 0.00 N ATOM 0 H LYS A 397 4.719 -32.360 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 397 4.836 -34.260 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 397 5.198 -34.353 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 397 5.385 -35.781 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 397 7.319 -34.923 -9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 397 6.950 -33.265 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 397 7.337 -33.826 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 397 7.745 -35.468 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 397 9.717 -34.754 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 397 9.223 -33.073 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 10.970 -33.825 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 9.682 -32.901 -5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 9.707 -34.583 -5.278 1.00 0.00 H new ATOM 366 N TYR A 398 2.399 -34.649 -7.721 1.00 0.00 N ATOM 367 CA TYR A 398 1.152 -35.364 -7.442 1.00 0.00 C ATOM 368 C TYR A 398 -0.132 -34.539 -7.598 1.00 0.00 C ATOM 369 O TYR A 398 -1.215 -35.121 -7.622 1.00 0.00 O ATOM 370 CB TYR A 398 1.230 -35.951 -6.023 1.00 0.00 C ATOM 371 CG TYR A 398 2.595 -36.490 -5.622 1.00 0.00 C ATOM 372 CD1 TYR A 398 3.226 -37.496 -6.376 1.00 0.00 C ATOM 373 CD2 TYR A 398 3.240 -35.970 -4.486 1.00 0.00 C ATOM 374 CE1 TYR A 398 4.493 -37.975 -5.993 1.00 0.00 C ATOM 375 CE2 TYR A 398 4.503 -36.446 -4.101 1.00 0.00 C ATOM 376 CZ TYR A 398 5.132 -37.450 -4.854 1.00 0.00 C ATOM 377 OH TYR A 398 6.360 -37.908 -4.475 1.00 0.00 O ATOM 0 H TYR A 398 2.657 -33.982 -6.993 1.00 0.00 H new ATOM 0 HA TYR A 398 1.073 -36.141 -8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 398 0.938 -35.179 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 398 0.500 -36.756 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 398 2.738 -37.901 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 398 2.759 -35.197 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 398 4.976 -38.747 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 398 4.990 -36.040 -3.227 1.00 0.00 H new ATOM 0 HH TYR A 398 6.651 -37.434 -3.668 1.00 0.00 H new ATOM 387 N GLY A 399 -0.031 -33.208 -7.690 1.00 0.00 N ATOM 388 CA GLY A 399 -1.166 -32.298 -7.815 1.00 0.00 C ATOM 389 C GLY A 399 -1.611 -31.807 -6.437 1.00 0.00 C ATOM 390 O GLY A 399 -1.307 -32.445 -5.427 1.00 0.00 O ATOM 0 H GLY A 399 0.868 -32.725 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -0.891 -31.448 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -1.993 -32.805 -8.312 1.00 0.00 H new ATOM 394 N GLU A 400 -2.343 -30.684 -6.373 1.00 0.00 N ATOM 395 CA GLU A 400 -2.841 -30.180 -5.096 1.00 0.00 C ATOM 396 C GLU A 400 -3.931 -31.134 -4.593 1.00 0.00 C ATOM 397 O GLU A 400 -4.471 -31.927 -5.366 1.00 0.00 O ATOM 398 CB GLU A 400 -3.222 -28.688 -5.153 1.00 0.00 C ATOM 399 CG GLU A 400 -4.272 -28.258 -6.188 1.00 0.00 C ATOM 400 CD GLU A 400 -4.384 -26.729 -6.239 1.00 0.00 C ATOM 401 OE1 GLU A 400 -3.430 -26.110 -6.760 1.00 0.00 O ATOM 402 OE2 GLU A 400 -5.388 -26.178 -5.734 1.00 0.00 O ATOM 0 H GLU A 400 -2.598 -30.118 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 400 -2.049 -30.181 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -3.584 -28.397 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -2.313 -28.117 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -4.000 -28.641 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -5.240 -28.691 -5.934 1.00 0.00 H new ATOM 409 N GLY A 401 -4.223 -31.103 -3.292 1.00 0.00 N ATOM 410 CA GLY A 401 -5.189 -32.015 -2.695 1.00 0.00 C ATOM 411 C GLY A 401 -4.579 -33.403 -2.525 1.00 0.00 C ATOM 412 O GLY A 401 -5.240 -34.417 -2.738 1.00 0.00 O ATOM 0 H GLY A 401 -3.800 -30.451 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -5.510 -31.631 -1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -6.077 -32.076 -3.324 1.00 0.00 H new ATOM 416 N ASN A 402 -3.304 -33.428 -2.127 1.00 0.00 N ATOM 417 CA ASN A 402 -2.513 -34.623 -1.872 1.00 0.00 C ATOM 418 C ASN A 402 -1.531 -34.286 -0.747 1.00 0.00 C ATOM 419 O ASN A 402 -0.394 -34.750 -0.758 1.00 0.00 O ATOM 420 CB ASN A 402 -1.753 -35.037 -3.146 1.00 0.00 C ATOM 421 CG ASN A 402 -2.659 -35.521 -4.275 1.00 0.00 C ATOM 422 OD1 ASN A 402 -2.926 -36.717 -4.386 1.00 0.00 O ATOM 423 ND2 ASN A 402 -3.099 -34.619 -5.148 1.00 0.00 N ATOM 0 H ASN A 402 -2.775 -32.571 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 402 -3.152 -35.457 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -1.168 -34.188 -3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.047 -35.828 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -3.675 -34.912 -5.937 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -2.860 -33.635 -5.028 1.00 0.00 H new ATOM 430 N TRP A 403 -1.952 -33.460 0.218 1.00 0.00 N ATOM 431 CA TRP A 403 -1.109 -33.020 1.324 1.00 0.00 C ATOM 432 C TRP A 403 -0.676 -34.192 2.199 1.00 0.00 C ATOM 433 O TRP A 403 0.422 -34.164 2.748 1.00 0.00 O ATOM 434 CB TRP A 403 -1.768 -31.874 2.099 1.00 0.00 C ATOM 435 CG TRP A 403 -2.506 -30.932 1.206 1.00 0.00 C ATOM 436 CD1 TRP A 403 -3.849 -30.817 1.107 1.00 0.00 C ATOM 437 CD2 TRP A 403 -1.951 -29.981 0.256 1.00 0.00 C ATOM 438 NE1 TRP A 403 -4.165 -29.868 0.158 1.00 0.00 N ATOM 439 CE2 TRP A 403 -3.030 -29.322 -0.398 1.00 0.00 C ATOM 440 CE3 TRP A 403 -0.643 -29.617 -0.127 1.00 0.00 C ATOM 441 CZ2 TRP A 403 -2.827 -28.345 -1.380 1.00 0.00 C ATOM 442 CZ3 TRP A 403 -0.429 -28.638 -1.111 1.00 0.00 C ATOM 443 CH2 TRP A 403 -1.514 -28.010 -1.736 1.00 0.00 C ATOM 0 H TRP A 403 -2.897 -33.077 0.249 1.00 0.00 H new ATOM 0 HA TRP A 403 -0.186 -32.609 0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -2.457 -32.287 2.836 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -1.004 -31.325 2.649 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -4.566 -31.383 1.684 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -5.116 -29.605 -0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 403 0.203 -30.097 0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -3.667 -27.859 -1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 0.579 -28.367 -1.388 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -1.337 -27.264 -2.496 1.00 0.00 H new ATOM 454 N SER A 404 -1.514 -35.229 2.299 1.00 0.00 N ATOM 455 CA SER A 404 -1.216 -36.438 3.048 1.00 0.00 C ATOM 456 C SER A 404 0.016 -37.098 2.424 1.00 0.00 C ATOM 457 O SER A 404 1.041 -37.285 3.074 1.00 0.00 O ATOM 458 CB SER A 404 -2.437 -37.367 3.005 1.00 0.00 C ATOM 459 OG SER A 404 -2.894 -37.541 1.674 1.00 0.00 O ATOM 0 H SER A 404 -2.431 -35.245 1.852 1.00 0.00 H new ATOM 0 HA SER A 404 -1.001 -36.213 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 404 -2.178 -38.335 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 404 -3.237 -36.951 3.617 1.00 0.00 H new ATOM 0 HG SER A 404 -3.671 -38.138 1.670 1.00 0.00 H new ATOM 465 N LYS A 405 -0.089 -37.434 1.137 1.00 0.00 N ATOM 466 CA LYS A 405 0.982 -38.045 0.365 1.00 0.00 C ATOM 467 C LYS A 405 2.235 -37.172 0.452 1.00 0.00 C ATOM 468 O LYS A 405 3.295 -37.649 0.854 1.00 0.00 O ATOM 469 CB LYS A 405 0.519 -38.218 -1.087 1.00 0.00 C ATOM 470 CG LYS A 405 -0.578 -39.288 -1.199 1.00 0.00 C ATOM 471 CD LYS A 405 -1.428 -39.119 -2.464 1.00 0.00 C ATOM 472 CE LYS A 405 -0.590 -39.113 -3.749 1.00 0.00 C ATOM 473 NZ LYS A 405 -1.444 -38.993 -4.946 1.00 0.00 N ATOM 0 H LYS A 405 -0.940 -37.284 0.596 1.00 0.00 H new ATOM 0 HA LYS A 405 1.227 -39.028 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 405 0.143 -37.268 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 405 1.368 -38.498 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -0.119 -40.277 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -1.222 -39.238 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -2.158 -39.927 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -1.989 -38.187 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 405 0.118 -38.284 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -0.004 -40.030 -3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -0.848 -38.839 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -1.994 -39.867 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -2.093 -38.189 -4.830 1.00 0.00 H new ATOM 487 N ILE A 406 2.106 -35.892 0.087 1.00 0.00 N ATOM 488 CA ILE A 406 3.193 -34.925 0.107 1.00 0.00 C ATOM 489 C ILE A 406 3.905 -34.920 1.462 1.00 0.00 C ATOM 490 O ILE A 406 5.125 -35.018 1.480 1.00 0.00 O ATOM 491 CB ILE A 406 2.688 -33.531 -0.323 1.00 0.00 C ATOM 492 CG1 ILE A 406 2.353 -33.537 -1.825 1.00 0.00 C ATOM 493 CG2 ILE A 406 3.734 -32.442 -0.055 1.00 0.00 C ATOM 494 CD1 ILE A 406 1.628 -32.276 -2.306 1.00 0.00 C ATOM 0 H ILE A 406 1.222 -35.498 -0.236 1.00 0.00 H new ATOM 0 HA ILE A 406 3.944 -35.223 -0.624 1.00 0.00 H new ATOM 0 HB ILE A 406 1.797 -33.310 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 406 3.277 -33.652 -2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 406 1.734 -34.406 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 406 3.342 -31.475 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 406 3.962 -32.411 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 406 4.643 -32.665 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 406 1.427 -32.357 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 406 0.687 -32.170 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 406 2.254 -31.403 -2.119 1.00 0.00 H new ATOM 506 N LEU A 407 3.188 -34.811 2.588 1.00 0.00 N ATOM 507 CA LEU A 407 3.830 -34.790 3.901 1.00 0.00 C ATOM 508 C LEU A 407 4.455 -36.134 4.273 1.00 0.00 C ATOM 509 O LEU A 407 5.457 -36.159 4.985 1.00 0.00 O ATOM 510 CB LEU A 407 2.929 -34.170 4.984 1.00 0.00 C ATOM 511 CG LEU A 407 1.797 -35.028 5.575 1.00 0.00 C ATOM 512 CD1 LEU A 407 2.276 -35.947 6.708 1.00 0.00 C ATOM 513 CD2 LEU A 407 0.710 -34.104 6.141 1.00 0.00 C ATOM 0 H LEU A 407 2.171 -34.737 2.613 1.00 0.00 H new ATOM 0 HA LEU A 407 4.680 -34.112 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 407 3.570 -33.853 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 407 2.479 -33.270 4.566 1.00 0.00 H new ATOM 0 HG LEU A 407 1.418 -35.655 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 407 1.435 -36.528 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 407 3.042 -36.623 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 407 2.692 -35.343 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -0.096 -34.705 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 407 1.138 -33.474 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 407 0.315 -33.475 5.343 1.00 0.00 H new ATOM 525 N LEU A 408 3.892 -37.253 3.798 1.00 0.00 N ATOM 526 CA LEU A 408 4.446 -38.569 4.095 1.00 0.00 C ATOM 527 C LEU A 408 5.787 -38.729 3.377 1.00 0.00 C ATOM 528 O LEU A 408 6.770 -39.142 3.991 1.00 0.00 O ATOM 529 CB LEU A 408 3.457 -39.677 3.703 1.00 0.00 C ATOM 530 CG LEU A 408 2.258 -39.768 4.664 1.00 0.00 C ATOM 531 CD1 LEU A 408 1.120 -40.548 3.995 1.00 0.00 C ATOM 532 CD2 LEU A 408 2.634 -40.466 5.978 1.00 0.00 C ATOM 0 H LEU A 408 3.058 -37.268 3.210 1.00 0.00 H new ATOM 0 HA LEU A 408 4.616 -38.657 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 408 3.094 -39.494 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 408 3.978 -40.634 3.686 1.00 0.00 H new ATOM 0 HG LEU A 408 1.941 -38.751 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 408 0.272 -40.611 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.815 -40.035 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 408 1.463 -41.553 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 408 1.761 -40.510 6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 408 2.981 -41.477 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 408 3.428 -39.907 6.473 1.00 0.00 H new ATOM 544 N HIS A 409 5.829 -38.395 2.082 1.00 0.00 N ATOM 545 CA HIS A 409 7.037 -38.482 1.274 1.00 0.00 C ATOM 546 C HIS A 409 8.058 -37.434 1.722 1.00 0.00 C ATOM 547 O HIS A 409 9.208 -37.754 2.013 1.00 0.00 O ATOM 548 CB HIS A 409 6.693 -38.264 -0.209 1.00 0.00 C ATOM 549 CG HIS A 409 5.681 -39.227 -0.773 1.00 0.00 C ATOM 550 ND1 HIS A 409 5.831 -40.604 -0.708 1.00 0.00 N ATOM 551 CD2 HIS A 409 4.488 -39.025 -1.423 1.00 0.00 C ATOM 552 CE1 HIS A 409 4.756 -41.150 -1.302 1.00 0.00 C ATOM 553 NE2 HIS A 409 3.896 -40.238 -1.761 1.00 0.00 N ATOM 0 H HIS A 409 5.016 -38.055 1.568 1.00 0.00 H new ATOM 0 HA HIS A 409 7.469 -39.474 1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 409 6.316 -37.249 -0.334 1.00 0.00 H new ATOM 0 HB3 HIS A 409 7.609 -38.338 -0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 409 4.066 -38.055 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 409 4.604 -42.215 -1.398 1.00 0.00 H new ATOM 0 HE2 HIS A 409 3.012 -40.394 -2.246 1.00 0.00 H new ATOM 561 N TYR A 410 7.618 -36.175 1.745 1.00 0.00 N ATOM 562 CA TYR A 410 8.390 -34.991 2.080 1.00 0.00 C ATOM 563 C TYR A 410 7.986 -34.469 3.455 1.00 0.00 C ATOM 564 O TYR A 410 7.141 -33.589 3.584 1.00 0.00 O ATOM 565 CB TYR A 410 8.177 -33.964 0.960 1.00 0.00 C ATOM 566 CG TYR A 410 8.481 -34.507 -0.430 1.00 0.00 C ATOM 567 CD1 TYR A 410 9.638 -35.279 -0.658 1.00 0.00 C ATOM 568 CD2 TYR A 410 7.601 -34.248 -1.499 1.00 0.00 C ATOM 569 CE1 TYR A 410 9.911 -35.788 -1.937 1.00 0.00 C ATOM 570 CE2 TYR A 410 7.877 -34.757 -2.781 1.00 0.00 C ATOM 571 CZ TYR A 410 9.030 -35.528 -2.998 1.00 0.00 C ATOM 572 OH TYR A 410 9.298 -36.024 -4.240 1.00 0.00 O ATOM 0 H TYR A 410 6.651 -35.947 1.515 1.00 0.00 H new ATOM 0 HA TYR A 410 9.455 -35.215 2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 410 7.144 -33.617 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 410 8.809 -33.097 1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 410 10.318 -35.480 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 410 6.712 -33.657 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 410 10.799 -36.380 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 410 7.201 -34.555 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 410 8.504 -36.481 -4.588 1.00 0.00 H new ATOM 582 N LYS A 411 8.615 -35.034 4.485 1.00 0.00 N ATOM 583 CA LYS A 411 8.385 -34.702 5.880 1.00 0.00 C ATOM 584 C LYS A 411 8.878 -33.285 6.191 1.00 0.00 C ATOM 585 O LYS A 411 10.066 -32.997 6.054 1.00 0.00 O ATOM 586 CB LYS A 411 9.081 -35.762 6.741 1.00 0.00 C ATOM 587 CG LYS A 411 8.447 -37.140 6.491 1.00 0.00 C ATOM 588 CD LYS A 411 9.122 -38.230 7.328 1.00 0.00 C ATOM 589 CE LYS A 411 8.515 -39.593 6.968 1.00 0.00 C ATOM 590 NZ LYS A 411 9.119 -40.689 7.749 1.00 0.00 N ATOM 0 H LYS A 411 9.321 -35.759 4.361 1.00 0.00 H new ATOM 0 HA LYS A 411 7.318 -34.707 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 411 10.145 -35.793 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 411 8.996 -35.499 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 411 7.384 -37.101 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 411 8.526 -37.391 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 411 10.196 -38.236 7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 411 8.985 -38.027 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 411 7.440 -39.570 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 411 8.657 -39.784 5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 8.681 -41.592 7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 10.141 -40.728 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 8.961 -40.521 8.763 1.00 0.00 H new ATOM 604 N PHE A 412 7.955 -32.411 6.608 1.00 0.00 N ATOM 605 CA PHE A 412 8.213 -31.015 6.947 1.00 0.00 C ATOM 606 C PHE A 412 8.589 -30.865 8.424 1.00 0.00 C ATOM 607 O PHE A 412 8.710 -31.866 9.130 1.00 0.00 O ATOM 608 CB PHE A 412 6.973 -30.196 6.580 1.00 0.00 C ATOM 609 CG PHE A 412 6.574 -30.377 5.132 1.00 0.00 C ATOM 610 CD1 PHE A 412 7.374 -29.807 4.128 1.00 0.00 C ATOM 611 CD2 PHE A 412 5.429 -31.112 4.781 1.00 0.00 C ATOM 612 CE1 PHE A 412 7.037 -29.966 2.776 1.00 0.00 C ATOM 613 CE2 PHE A 412 5.090 -31.272 3.426 1.00 0.00 C ATOM 614 CZ PHE A 412 5.892 -30.697 2.422 1.00 0.00 C ATOM 0 H PHE A 412 6.975 -32.670 6.721 1.00 0.00 H new ATOM 0 HA PHE A 412 9.066 -30.643 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 412 6.143 -30.489 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 412 7.167 -29.141 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 412 8.254 -29.243 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 412 4.811 -31.553 5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 412 7.657 -29.527 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 412 4.211 -31.838 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 412 5.627 -30.818 1.382 1.00 0.00 H new ATOM 624 N ASN A 413 8.785 -29.626 8.899 1.00 0.00 N ATOM 625 CA ASN A 413 9.178 -29.390 10.284 1.00 0.00 C ATOM 626 C ASN A 413 8.020 -29.652 11.251 1.00 0.00 C ATOM 627 O ASN A 413 8.109 -30.548 12.085 1.00 0.00 O ATOM 628 CB ASN A 413 9.772 -27.981 10.442 1.00 0.00 C ATOM 629 CG ASN A 413 10.591 -27.834 11.727 1.00 0.00 C ATOM 630 OD1 ASN A 413 11.270 -28.764 12.152 1.00 0.00 O ATOM 631 ND2 ASN A 413 10.556 -26.657 12.351 1.00 0.00 N ATOM 0 H ASN A 413 8.677 -28.779 8.342 1.00 0.00 H new ATOM 0 HA ASN A 413 9.959 -30.103 10.547 1.00 0.00 H new ATOM 0 HB2 ASN A 413 10.405 -27.758 9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 413 8.966 -27.248 10.442 1.00 0.00 H new ATOM 0 HD21 ASN A 413 11.101 -26.514 13.201 1.00 0.00 H new ATOM 0 HD22 ASN A 413 9.984 -25.899 11.978 1.00 0.00 H new ATOM 638 N ASN A 414 6.933 -28.875 11.142 1.00 0.00 N ATOM 639 CA ASN A 414 5.745 -29.000 11.990 1.00 0.00 C ATOM 640 C ASN A 414 4.513 -28.582 11.184 1.00 0.00 C ATOM 641 O ASN A 414 3.735 -27.743 11.636 1.00 0.00 O ATOM 642 CB ASN A 414 5.880 -28.106 13.237 1.00 0.00 C ATOM 643 CG ASN A 414 7.069 -28.459 14.125 1.00 0.00 C ATOM 644 OD1 ASN A 414 6.985 -29.362 14.952 1.00 0.00 O ATOM 645 ND2 ASN A 414 8.174 -27.728 13.982 1.00 0.00 N ATOM 0 H ASN A 414 6.856 -28.130 10.449 1.00 0.00 H new ATOM 0 HA ASN A 414 5.642 -30.035 12.316 1.00 0.00 H new ATOM 0 HB2 ASN A 414 5.972 -27.067 12.919 1.00 0.00 H new ATOM 0 HB3 ASN A 414 4.965 -28.179 13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 414 8.986 -27.911 14.571 1.00 0.00 H new ATOM 0 HD22 ASN A 414 8.207 -26.985 13.284 1.00 0.00 H new ATOM 652 N ARG A 415 4.349 -29.137 9.977 1.00 0.00 N ATOM 653 CA ARG A 415 3.265 -28.786 9.065 1.00 0.00 C ATOM 654 C ARG A 415 2.300 -29.953 8.838 1.00 0.00 C ATOM 655 O ARG A 415 2.721 -31.052 8.482 1.00 0.00 O ATOM 656 CB ARG A 415 3.857 -28.323 7.726 1.00 0.00 C ATOM 657 CG ARG A 415 5.106 -27.441 7.858 1.00 0.00 C ATOM 658 CD ARG A 415 4.918 -26.141 8.649 1.00 0.00 C ATOM 659 NE ARG A 415 6.174 -25.387 8.607 1.00 0.00 N ATOM 660 CZ ARG A 415 6.382 -24.136 9.044 1.00 0.00 C ATOM 661 NH1 ARG A 415 5.405 -23.391 9.583 1.00 0.00 N ATOM 662 NH2 ARG A 415 7.618 -23.641 8.938 1.00 0.00 N ATOM 0 H ARG A 415 4.976 -29.851 9.606 1.00 0.00 H new ATOM 0 HA ARG A 415 2.691 -27.979 9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 415 4.108 -29.201 7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 415 3.094 -27.772 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 415 5.893 -28.025 8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 415 5.458 -27.189 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 415 4.107 -25.551 8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 415 4.642 -26.361 9.680 1.00 0.00 H new ATOM 0 HE ARG A 415 6.978 -25.866 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 415 4.463 -23.772 9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 415 5.604 -22.443 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 415 8.363 -24.210 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 415 7.817 -22.693 9.259 1.00 0.00 H new ATOM 676 N THR A 416 1.004 -29.690 9.030 1.00 0.00 N ATOM 677 CA THR A 416 -0.108 -30.612 8.850 1.00 0.00 C ATOM 678 C THR A 416 -0.735 -30.374 7.473 1.00 0.00 C ATOM 679 O THR A 416 -0.374 -29.414 6.795 1.00 0.00 O ATOM 680 CB THR A 416 -1.157 -30.300 9.928 1.00 0.00 C ATOM 681 OG1 THR A 416 -1.620 -28.968 9.760 1.00 0.00 O ATOM 682 CG2 THR A 416 -0.583 -30.468 11.340 1.00 0.00 C ATOM 0 H THR A 416 0.690 -28.768 9.334 1.00 0.00 H new ATOM 0 HA THR A 416 0.234 -31.644 8.927 1.00 0.00 H new ATOM 0 HB THR A 416 -1.981 -31.005 9.814 1.00 0.00 H new ATOM 0 HG1 THR A 416 -2.291 -28.766 10.445 1.00 0.00 H new ATOM 0 HG21 THR A 416 -1.354 -30.239 12.076 1.00 0.00 H new ATOM 0 HG22 THR A 416 -0.246 -31.496 11.476 1.00 0.00 H new ATOM 0 HG23 THR A 416 0.259 -29.789 11.474 1.00 0.00 H new ATOM 690 N SER A 417 -1.702 -31.212 7.068 1.00 0.00 N ATOM 691 CA SER A 417 -2.417 -31.038 5.805 1.00 0.00 C ATOM 692 C SER A 417 -3.034 -29.638 5.742 1.00 0.00 C ATOM 693 O SER A 417 -3.053 -29.009 4.686 1.00 0.00 O ATOM 694 CB SER A 417 -3.502 -32.106 5.652 1.00 0.00 C ATOM 695 OG SER A 417 -2.909 -33.379 5.512 1.00 0.00 O ATOM 0 H SER A 417 -2.005 -32.023 7.607 1.00 0.00 H new ATOM 0 HA SER A 417 -1.709 -31.149 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 417 -4.160 -32.095 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 417 -4.120 -31.886 4.782 1.00 0.00 H new ATOM 0 HG SER A 417 -3.610 -34.058 5.416 1.00 0.00 H new ATOM 701 N VAL A 418 -3.521 -29.148 6.890 1.00 0.00 N ATOM 702 CA VAL A 418 -4.100 -27.823 7.015 1.00 0.00 C ATOM 703 C VAL A 418 -3.003 -26.793 6.736 1.00 0.00 C ATOM 704 O VAL A 418 -3.143 -25.973 5.835 1.00 0.00 O ATOM 705 CB VAL A 418 -4.724 -27.644 8.410 1.00 0.00 C ATOM 706 CG1 VAL A 418 -5.292 -26.231 8.567 1.00 0.00 C ATOM 707 CG2 VAL A 418 -5.857 -28.651 8.652 1.00 0.00 C ATOM 0 H VAL A 418 -3.519 -29.675 7.763 1.00 0.00 H new ATOM 0 HA VAL A 418 -4.904 -27.683 6.292 1.00 0.00 H new ATOM 0 HB VAL A 418 -3.931 -27.814 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -5.729 -26.123 9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -4.492 -25.501 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -6.060 -26.061 7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -6.275 -28.496 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -6.637 -28.508 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -5.465 -29.665 8.577 1.00 0.00 H new ATOM 717 N MET A 419 -1.900 -26.832 7.493 1.00 0.00 N ATOM 718 CA MET A 419 -0.798 -25.893 7.298 1.00 0.00 C ATOM 719 C MET A 419 -0.353 -25.851 5.829 1.00 0.00 C ATOM 720 O MET A 419 -0.150 -24.778 5.265 1.00 0.00 O ATOM 721 CB MET A 419 0.368 -26.259 8.230 1.00 0.00 C ATOM 722 CG MET A 419 0.810 -25.071 9.090 1.00 0.00 C ATOM 723 SD MET A 419 -0.409 -24.528 10.323 1.00 0.00 S ATOM 724 CE MET A 419 -0.298 -25.883 11.517 1.00 0.00 C ATOM 0 H MET A 419 -1.750 -27.505 8.245 1.00 0.00 H new ATOM 0 HA MET A 419 -1.143 -24.891 7.553 1.00 0.00 H new ATOM 0 HB2 MET A 419 0.070 -27.084 8.877 1.00 0.00 H new ATOM 0 HB3 MET A 419 1.211 -26.610 7.635 1.00 0.00 H new ATOM 0 HG2 MET A 419 1.733 -25.337 9.605 1.00 0.00 H new ATOM 0 HG3 MET A 419 1.041 -24.232 8.434 1.00 0.00 H new ATOM 0 HE1 MET A 419 -0.879 -25.634 12.405 1.00 0.00 H new ATOM 0 HE2 MET A 419 -0.692 -26.795 11.070 1.00 0.00 H new ATOM 0 HE3 MET A 419 0.744 -26.037 11.797 1.00 0.00 H new ATOM 734 N LEU A 420 -0.213 -27.029 5.215 1.00 0.00 N ATOM 735 CA LEU A 420 0.197 -27.206 3.831 1.00 0.00 C ATOM 736 C LEU A 420 -0.768 -26.530 2.861 1.00 0.00 C ATOM 737 O LEU A 420 -0.341 -25.687 2.069 1.00 0.00 O ATOM 738 CB LEU A 420 0.336 -28.706 3.534 1.00 0.00 C ATOM 739 CG LEU A 420 1.579 -29.271 4.233 1.00 0.00 C ATOM 740 CD1 LEU A 420 1.470 -30.779 4.450 1.00 0.00 C ATOM 741 CD2 LEU A 420 2.819 -29.006 3.382 1.00 0.00 C ATOM 0 H LEU A 420 -0.390 -27.914 5.691 1.00 0.00 H new ATOM 0 HA LEU A 420 1.163 -26.722 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -0.554 -29.236 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.410 -28.866 2.458 1.00 0.00 H new ATOM 0 HG LEU A 420 1.656 -28.776 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 420 2.370 -31.141 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 420 0.600 -30.995 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 420 1.362 -31.278 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.698 -29.410 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.703 -29.487 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.942 -27.932 3.243 1.00 0.00 H new ATOM 753 N LYS A 421 -2.061 -26.883 2.913 1.00 0.00 N ATOM 754 CA LYS A 421 -3.033 -26.272 2.016 1.00 0.00 C ATOM 755 C LYS A 421 -3.080 -24.758 2.207 1.00 0.00 C ATOM 756 O LYS A 421 -3.255 -24.035 1.233 1.00 0.00 O ATOM 757 CB LYS A 421 -4.421 -26.924 2.098 1.00 0.00 C ATOM 758 CG LYS A 421 -5.202 -26.719 3.407 1.00 0.00 C ATOM 759 CD LYS A 421 -6.588 -26.101 3.190 1.00 0.00 C ATOM 760 CE LYS A 421 -6.591 -24.568 3.230 1.00 0.00 C ATOM 761 NZ LYS A 421 -6.829 -24.055 4.596 1.00 0.00 N ATOM 0 H LYS A 421 -2.445 -27.575 3.556 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.690 -26.461 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.026 -26.541 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.304 -27.995 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -5.314 -27.679 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -4.624 -26.076 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.977 -26.432 2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -7.268 -26.477 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.636 -24.193 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -7.362 -24.188 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.707 -23.022 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.798 -24.292 4.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.150 -24.490 5.253 1.00 0.00 H new ATOM 775 N ASP A 422 -2.920 -24.271 3.444 1.00 0.00 N ATOM 776 CA ASP A 422 -2.934 -22.845 3.724 1.00 0.00 C ATOM 777 C ASP A 422 -1.735 -22.159 3.085 1.00 0.00 C ATOM 778 O ASP A 422 -1.904 -21.130 2.437 1.00 0.00 O ATOM 779 CB ASP A 422 -3.001 -22.583 5.229 1.00 0.00 C ATOM 780 CG ASP A 422 -4.434 -22.733 5.697 1.00 0.00 C ATOM 781 OD1 ASP A 422 -5.238 -21.846 5.337 1.00 0.00 O ATOM 782 OD2 ASP A 422 -4.750 -23.759 6.336 1.00 0.00 O ATOM 0 H ASP A 422 -2.779 -24.856 4.268 1.00 0.00 H new ATOM 0 HA ASP A 422 -3.833 -22.417 3.281 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -2.357 -23.283 5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -2.636 -21.581 5.452 1.00 0.00 H new ATOM 787 N ARG A 423 -0.533 -22.722 3.247 1.00 0.00 N ATOM 788 CA ARG A 423 0.669 -22.151 2.655 1.00 0.00 C ATOM 789 C ARG A 423 0.473 -22.038 1.141 1.00 0.00 C ATOM 790 O ARG A 423 0.692 -20.975 0.561 1.00 0.00 O ATOM 791 CB ARG A 423 1.893 -23.009 3.003 1.00 0.00 C ATOM 792 CG ARG A 423 3.179 -22.191 3.172 1.00 0.00 C ATOM 793 CD ARG A 423 3.517 -21.240 2.022 1.00 0.00 C ATOM 794 NE ARG A 423 4.903 -20.765 2.157 1.00 0.00 N ATOM 795 CZ ARG A 423 5.328 -19.513 2.393 1.00 0.00 C ATOM 796 NH1 ARG A 423 4.464 -18.519 2.628 1.00 0.00 N ATOM 797 NH2 ARG A 423 6.640 -19.251 2.396 1.00 0.00 N ATOM 0 H ARG A 423 -0.372 -23.574 3.785 1.00 0.00 H new ATOM 0 HA ARG A 423 0.846 -21.154 3.059 1.00 0.00 H new ATOM 0 HB2 ARG A 423 1.695 -23.556 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 423 2.043 -23.751 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 423 3.099 -21.608 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 423 4.012 -22.881 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 423 3.389 -21.750 1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 423 2.831 -20.393 2.025 1.00 0.00 H new ATOM 0 HE ARG A 423 5.630 -21.473 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 423 3.461 -18.705 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 423 4.808 -17.575 2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 423 7.310 -20.000 2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 423 6.970 -18.303 2.574 1.00 0.00 H new ATOM 811 N TRP A 424 0.037 -23.133 0.504 1.00 0.00 N ATOM 812 CA TRP A 424 -0.216 -23.170 -0.927 1.00 0.00 C ATOM 813 C TRP A 424 -1.288 -22.153 -1.328 1.00 0.00 C ATOM 814 O TRP A 424 -1.136 -21.454 -2.331 1.00 0.00 O ATOM 815 CB TRP A 424 -0.625 -24.586 -1.327 1.00 0.00 C ATOM 816 CG TRP A 424 -0.797 -24.789 -2.798 1.00 0.00 C ATOM 817 CD1 TRP A 424 -1.968 -25.028 -3.427 1.00 0.00 C ATOM 818 CD2 TRP A 424 0.220 -24.784 -3.841 1.00 0.00 C ATOM 819 NE1 TRP A 424 -1.753 -25.171 -4.780 1.00 0.00 N ATOM 820 CE2 TRP A 424 -0.418 -25.030 -5.091 1.00 0.00 C ATOM 821 CE3 TRP A 424 1.620 -24.603 -3.859 1.00 0.00 C ATOM 822 CZ2 TRP A 424 0.293 -25.089 -6.298 1.00 0.00 C ATOM 823 CZ3 TRP A 424 2.342 -24.666 -5.064 1.00 0.00 C ATOM 824 CH2 TRP A 424 1.685 -24.910 -6.280 1.00 0.00 C ATOM 0 H TRP A 424 -0.148 -24.018 0.977 1.00 0.00 H new ATOM 0 HA TRP A 424 0.697 -22.897 -1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 424 0.128 -25.285 -0.962 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -1.561 -24.835 -0.827 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -2.930 -25.097 -2.941 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -2.487 -25.357 -5.463 1.00 0.00 H new ATOM 0 HE3 TRP A 424 2.144 -24.413 -2.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -0.224 -25.270 -7.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 3.413 -24.525 -5.054 1.00 0.00 H new ATOM 0 HH2 TRP A 424 2.249 -24.960 -7.200 1.00 0.00 H new ATOM 835 N ARG A 425 -2.368 -22.068 -0.540 1.00 0.00 N ATOM 836 CA ARG A 425 -3.468 -21.145 -0.771 1.00 0.00 C ATOM 837 C ARG A 425 -2.917 -19.724 -0.826 1.00 0.00 C ATOM 838 O ARG A 425 -3.182 -19.011 -1.792 1.00 0.00 O ATOM 839 CB ARG A 425 -4.563 -21.325 0.292 1.00 0.00 C ATOM 840 CG ARG A 425 -5.761 -20.406 0.028 1.00 0.00 C ATOM 841 CD ARG A 425 -6.989 -20.798 0.859 1.00 0.00 C ATOM 842 NE ARG A 425 -6.755 -20.697 2.311 1.00 0.00 N ATOM 843 CZ ARG A 425 -7.721 -20.531 3.233 1.00 0.00 C ATOM 844 NH1 ARG A 425 -9.001 -20.400 2.870 1.00 0.00 N ATOM 845 NH2 ARG A 425 -7.413 -20.506 4.533 1.00 0.00 N ATOM 0 H ARG A 425 -2.496 -22.651 0.287 1.00 0.00 H new ATOM 0 HA ARG A 425 -3.944 -21.357 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -4.895 -22.363 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -4.151 -21.113 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -5.484 -19.377 0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -6.016 -20.440 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -7.826 -20.156 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -7.277 -21.820 0.613 1.00 0.00 H new ATOM 0 HE ARG A 425 -5.792 -20.757 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -9.256 -20.425 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.722 -20.275 3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -6.443 -20.613 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.148 -20.380 5.229 1.00 0.00 H new ATOM 859 N THR A 426 -2.135 -19.333 0.189 1.00 0.00 N ATOM 860 CA THR A 426 -1.495 -18.029 0.267 1.00 0.00 C ATOM 861 C THR A 426 -0.699 -17.790 -1.021 1.00 0.00 C ATOM 862 O THR A 426 -0.898 -16.783 -1.698 1.00 0.00 O ATOM 863 CB THR A 426 -0.603 -17.958 1.517 1.00 0.00 C ATOM 864 OG1 THR A 426 -1.378 -18.259 2.658 1.00 0.00 O ATOM 865 CG2 THR A 426 0.006 -16.567 1.704 1.00 0.00 C ATOM 0 H THR A 426 -1.931 -19.931 0.990 1.00 0.00 H new ATOM 0 HA THR A 426 -2.243 -17.242 0.359 1.00 0.00 H new ATOM 0 HB THR A 426 0.206 -18.677 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 426 -1.480 -19.230 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 426 0.629 -16.560 2.598 1.00 0.00 H new ATOM 0 HG22 THR A 426 0.615 -16.317 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 426 -0.792 -15.832 1.812 1.00 0.00 H new ATOM 873 N MET A 427 0.188 -18.733 -1.356 1.00 0.00 N ATOM 874 CA MET A 427 1.039 -18.702 -2.535 1.00 0.00 C ATOM 875 C MET A 427 0.269 -18.352 -3.816 1.00 0.00 C ATOM 876 O MET A 427 0.649 -17.427 -4.533 1.00 0.00 O ATOM 877 CB MET A 427 1.752 -20.066 -2.663 1.00 0.00 C ATOM 878 CG MET A 427 3.252 -19.917 -2.908 1.00 0.00 C ATOM 879 SD MET A 427 3.686 -19.150 -4.482 1.00 0.00 S ATOM 880 CE MET A 427 5.474 -19.054 -4.262 1.00 0.00 C ATOM 0 H MET A 427 0.333 -19.567 -0.787 1.00 0.00 H new ATOM 0 HA MET A 427 1.774 -17.907 -2.410 1.00 0.00 H new ATOM 0 HB2 MET A 427 1.591 -20.644 -1.753 1.00 0.00 H new ATOM 0 HB3 MET A 427 1.307 -20.630 -3.482 1.00 0.00 H new ATOM 0 HG2 MET A 427 3.681 -19.325 -2.100 1.00 0.00 H new ATOM 0 HG3 MET A 427 3.714 -20.903 -2.860 1.00 0.00 H new ATOM 0 HE1 MET A 427 5.925 -18.601 -5.145 1.00 0.00 H new ATOM 0 HE2 MET A 427 5.701 -18.446 -3.386 1.00 0.00 H new ATOM 0 HE3 MET A 427 5.878 -20.057 -4.122 1.00 0.00 H new ATOM 890 N LYS A 428 -0.803 -19.094 -4.119 1.00 0.00 N ATOM 891 CA LYS A 428 -1.584 -18.891 -5.335 1.00 0.00 C ATOM 892 C LYS A 428 -2.619 -17.761 -5.260 1.00 0.00 C ATOM 893 O LYS A 428 -3.278 -17.520 -6.270 1.00 0.00 O ATOM 894 CB LYS A 428 -2.189 -20.225 -5.810 1.00 0.00 C ATOM 895 CG LYS A 428 -3.370 -20.721 -4.963 1.00 0.00 C ATOM 896 CD LYS A 428 -3.679 -22.186 -5.303 1.00 0.00 C ATOM 897 CE LYS A 428 -4.836 -22.756 -4.464 1.00 0.00 C ATOM 898 NZ LYS A 428 -6.053 -23.025 -5.259 1.00 0.00 N ATOM 0 H LYS A 428 -1.149 -19.849 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 428 -0.883 -18.537 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -2.519 -20.113 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -1.409 -20.986 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -3.133 -20.627 -3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -4.248 -20.102 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -3.929 -22.265 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -2.786 -22.789 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -4.510 -23.680 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -5.078 -22.054 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -6.895 -22.827 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -6.059 -22.415 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -6.062 -24.022 -5.554 1.00 0.00 H new ATOM 912 N LYS A 429 -2.772 -17.048 -4.129 1.00 0.00 N ATOM 913 CA LYS A 429 -3.713 -15.921 -4.049 1.00 0.00 C ATOM 914 C LYS A 429 -3.422 -14.944 -5.190 1.00 0.00 C ATOM 915 O LYS A 429 -4.323 -14.531 -5.918 1.00 0.00 O ATOM 916 CB LYS A 429 -3.553 -15.116 -2.748 1.00 0.00 C ATOM 917 CG LYS A 429 -4.123 -15.772 -1.491 1.00 0.00 C ATOM 918 CD LYS A 429 -4.044 -14.836 -0.271 1.00 0.00 C ATOM 919 CE LYS A 429 -2.647 -14.222 -0.075 1.00 0.00 C ATOM 920 NZ LYS A 429 -2.503 -13.529 1.218 1.00 0.00 N ATOM 0 H LYS A 429 -2.260 -17.232 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 429 -4.716 -16.345 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -2.492 -14.926 -2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -4.034 -14.147 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -5.161 -16.053 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -3.575 -16.691 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -4.774 -14.035 -0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -4.320 -15.392 0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -1.896 -15.009 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -2.448 -13.518 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -1.544 -13.135 1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.199 -12.759 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -2.665 -14.203 1.993 1.00 0.00 H new