USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 291 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 461 GLN : amide:sc= -0.5 X(o=-0.71,f=-0.39) USER MOD Set 1.2: A 464 LYS NZ :NH3+ -115:sc= -0.211 (180deg=0.329!) USER MOD Set 2.1: A 452 THR OG1 : rot 180:sc= -0.166 USER MOD Set 2.2: A 454 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 436 THR OG1 : rot 180:sc= -0.511 USER MOD Set 3.2: A 450 ASN : amide:sc= -1.03 K(o=-1.5,f=2.1) USER MOD Set 4.1: A 447 TYR OH : rot 150:sc= 0.324 USER MOD Set 4.2: A 459 LYS NZ :NH3+ 179:sc= 0.326 (180deg=-0.015) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -31:sc= 0.637 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 440 THR OG1 : rot 123:sc= -2.91! USER MOD Single : A 444 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.567) USER MOD Single : A 445 THR OG1 : rot 180:sc=-0.00663 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc= -0.0381 USER MOD Single : A 449 ASN : amide:sc= -4.31! C(o=-4.3!,f=-19!) USER MOD Single : A 455 SER OG : rot 49:sc= 0.00262 USER MOD Single : A 456 THR OG1 : rot -102:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -4.393 -3.109 7.282 1.00 15.00 N ATOM 2 CA GLY A 428 -5.654 -2.565 6.733 1.00 15.00 C ATOM 3 C GLY A 428 -5.673 -1.052 6.761 1.00 15.00 C ATOM 4 O GLY A 428 -5.107 -0.430 7.664 1.00 15.00 O ATOM 0 HA2 GLY A 428 -5.783 -2.911 5.708 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -6.496 -2.950 7.308 1.00 15.00 H new ATOM 10 N ALA A 429 -6.320 -0.454 5.770 1.00 15.00 N ATOM 11 CA ALA A 429 -6.398 0.996 5.675 1.00 15.00 C ATOM 12 C ALA A 429 -7.522 1.536 6.554 1.00 15.00 C ATOM 13 O ALA A 429 -8.484 0.828 6.854 1.00 15.00 O ATOM 14 CB ALA A 429 -6.594 1.418 4.231 1.00 15.00 C ATOM 0 H ALA A 429 -6.799 -0.952 5.020 1.00 15.00 H new ATOM 0 HA ALA A 429 -5.459 1.417 6.034 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -6.651 2.505 4.174 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -5.754 1.067 3.632 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -7.518 0.986 3.848 1.00 15.00 H new ATOM 20 N THR A 430 -7.392 2.790 6.958 1.00 15.00 N ATOM 21 CA THR A 430 -8.327 3.403 7.890 1.00 15.00 C ATOM 22 C THR A 430 -9.699 3.655 7.251 1.00 15.00 C ATOM 23 O THR A 430 -10.730 3.334 7.843 1.00 15.00 O ATOM 24 CB THR A 430 -7.744 4.719 8.465 1.00 15.00 C ATOM 25 OG1 THR A 430 -8.683 5.342 9.349 1.00 15.00 O ATOM 26 CG2 THR A 430 -7.360 5.693 7.355 1.00 15.00 C ATOM 0 H THR A 430 -6.641 3.408 6.652 1.00 15.00 H new ATOM 0 HA THR A 430 -8.475 2.697 8.707 1.00 15.00 H new ATOM 0 HB THR A 430 -6.843 4.460 9.021 1.00 15.00 H new ATOM 0 HG1 THR A 430 -8.298 6.170 9.704 1.00 15.00 H new ATOM 0 HG21 THR A 430 -6.955 6.604 7.795 1.00 15.00 H new ATOM 0 HG22 THR A 430 -6.608 5.235 6.713 1.00 15.00 H new ATOM 0 HG23 THR A 430 -8.242 5.937 6.763 1.00 15.00 H new ATOM 34 N ALA A 431 -9.719 4.188 6.034 1.00 15.00 N ATOM 35 CA ALA A 431 -10.978 4.550 5.399 1.00 15.00 C ATOM 36 C ALA A 431 -11.169 3.802 4.088 1.00 15.00 C ATOM 37 O ALA A 431 -12.022 2.919 3.991 1.00 15.00 O ATOM 38 CB ALA A 431 -11.053 6.055 5.181 1.00 15.00 C ATOM 0 H ALA A 431 -8.888 4.377 5.474 1.00 15.00 H new ATOM 0 HA ALA A 431 -11.789 4.259 6.067 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -12.001 6.307 4.705 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -10.982 6.566 6.141 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -10.230 6.371 4.540 1.00 15.00 H new ATOM 44 N VAL A 432 -10.369 4.143 3.086 1.00 15.00 N ATOM 45 CA VAL A 432 -10.473 3.499 1.786 1.00 15.00 C ATOM 46 C VAL A 432 -9.813 2.126 1.815 1.00 15.00 C ATOM 47 O VAL A 432 -8.618 2.001 2.068 1.00 15.00 O ATOM 48 CB VAL A 432 -9.858 4.370 0.666 1.00 15.00 C ATOM 49 CG1 VAL A 432 -10.700 5.619 0.451 1.00 15.00 C ATOM 50 CG2 VAL A 432 -8.419 4.757 0.990 1.00 15.00 C ATOM 0 H VAL A 432 -9.645 4.858 3.149 1.00 15.00 H new ATOM 0 HA VAL A 432 -11.533 3.376 1.565 1.00 15.00 H new ATOM 0 HB VAL A 432 -9.849 3.781 -0.251 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -10.257 6.225 -0.340 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -11.711 5.331 0.164 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -10.735 6.197 1.374 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -8.016 5.369 0.183 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -8.395 5.323 1.921 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -7.815 3.856 1.098 1.00 15.00 H new ATOM 60 N SER A 433 -10.597 1.095 1.560 1.00 15.00 N ATOM 61 CA SER A 433 -10.117 -0.275 1.665 1.00 15.00 C ATOM 62 C SER A 433 -9.537 -0.752 0.334 1.00 15.00 C ATOM 63 O SER A 433 -9.247 -1.937 0.155 1.00 15.00 O ATOM 64 CB SER A 433 -11.268 -1.185 2.110 1.00 15.00 C ATOM 65 OG SER A 433 -10.827 -2.513 2.336 1.00 15.00 O ATOM 0 H SER A 433 -11.573 1.179 1.277 1.00 15.00 H new ATOM 0 HA SER A 433 -9.320 -0.316 2.407 1.00 15.00 H new ATOM 0 HB2 SER A 433 -11.714 -0.789 3.023 1.00 15.00 H new ATOM 0 HB3 SER A 433 -12.048 -1.185 1.348 1.00 15.00 H new ATOM 0 HG SER A 433 -10.083 -2.718 1.732 1.00 15.00 H new ATOM 71 N GLU A 434 -9.341 0.180 -0.592 1.00 15.00 N ATOM 72 CA GLU A 434 -8.800 -0.157 -1.900 1.00 15.00 C ATOM 73 C GLU A 434 -7.317 -0.452 -1.822 1.00 15.00 C ATOM 74 O GLU A 434 -6.788 -1.240 -2.602 1.00 15.00 O ATOM 75 CB GLU A 434 -9.026 0.965 -2.906 1.00 15.00 C ATOM 76 CG GLU A 434 -8.401 2.294 -2.530 1.00 15.00 C ATOM 77 CD GLU A 434 -8.500 3.305 -3.655 1.00 15.00 C ATOM 78 OE1 GLU A 434 -7.881 3.074 -4.717 1.00 15.00 O ATOM 79 OE2 GLU A 434 -9.199 4.324 -3.488 1.00 15.00 O ATOM 0 H GLU A 434 -9.548 1.170 -0.461 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.330 -1.049 -2.235 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -8.628 0.653 -3.872 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -10.099 1.108 -3.034 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.895 2.689 -1.643 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.353 2.142 -2.270 1.00 15.00 H new ATOM 86 N TRP A 435 -6.649 0.183 -0.881 1.00 15.00 N ATOM 87 CA TRP A 435 -5.210 0.081 -0.780 1.00 15.00 C ATOM 88 C TRP A 435 -4.837 -1.077 0.105 1.00 15.00 C ATOM 89 O TRP A 435 -5.460 -1.299 1.143 1.00 15.00 O ATOM 90 CB TRP A 435 -4.623 1.377 -0.226 1.00 15.00 C ATOM 91 CG TRP A 435 -4.364 2.387 -1.292 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.242 3.304 -1.790 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.138 2.566 -2.005 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.636 4.041 -2.780 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.338 3.610 -2.925 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.887 1.940 -1.951 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -2.330 4.043 -3.787 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -0.892 2.369 -2.804 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.116 3.409 -3.710 1.00 15.00 C ATOM 0 H TRP A 435 -7.082 0.777 -0.174 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.800 -0.088 -1.776 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -5.309 1.797 0.510 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -3.692 1.157 0.296 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -6.261 3.432 -1.457 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.077 4.786 -3.319 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.704 1.136 -1.254 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.499 4.847 -4.488 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.077 1.893 -2.771 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.315 3.721 -4.364 1.00 15.00 H new ATOM 110 N THR A 436 -3.808 -1.805 -0.283 1.00 15.00 N ATOM 111 CA THR A 436 -3.411 -2.928 0.485 1.00 15.00 C ATOM 112 C THR A 436 -1.951 -2.787 0.880 1.00 15.00 C ATOM 113 O THR A 436 -1.155 -2.234 0.130 1.00 15.00 O ATOM 114 CB THR A 436 -3.689 -4.294 -0.198 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.995 -4.749 0.161 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.676 -5.358 0.200 1.00 15.00 C ATOM 0 H THR A 436 -3.249 -1.628 -1.118 1.00 15.00 H new ATOM 0 HA THR A 436 -4.033 -2.934 1.380 1.00 15.00 H new ATOM 0 HB THR A 436 -3.611 -4.139 -1.274 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.172 -5.611 -0.271 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.915 -6.294 -0.304 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.676 -5.035 -0.089 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.711 -5.508 1.279 1.00 15.00 H new ATOM 124 N GLU A 437 -1.606 -3.219 2.068 1.00 15.00 N ATOM 125 CA GLU A 437 -0.208 -3.240 2.463 1.00 15.00 C ATOM 126 C GLU A 437 0.295 -4.678 2.594 1.00 15.00 C ATOM 127 O GLU A 437 -0.335 -5.526 3.233 1.00 15.00 O ATOM 128 CB GLU A 437 0.030 -2.453 3.758 1.00 15.00 C ATOM 129 CG GLU A 437 -0.590 -3.068 4.992 1.00 15.00 C ATOM 130 CD GLU A 437 -2.090 -2.870 5.080 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.841 -3.636 4.438 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.523 -1.953 5.809 1.00 15.00 O ATOM 0 H GLU A 437 -2.259 -3.558 2.774 1.00 15.00 H new ATOM 0 HA GLU A 437 0.363 -2.747 1.677 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.104 -2.357 3.917 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.365 -1.445 3.633 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.371 -4.136 5.005 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.122 -2.636 5.877 1.00 15.00 H new ATOM 139 N TYR A 438 1.439 -4.936 1.980 1.00 15.00 N ATOM 140 CA TYR A 438 2.049 -6.261 1.976 1.00 15.00 C ATOM 141 C TYR A 438 3.504 -6.180 2.392 1.00 15.00 C ATOM 142 O TYR A 438 4.182 -5.184 2.153 1.00 15.00 O ATOM 143 CB TYR A 438 1.973 -6.924 0.599 1.00 15.00 C ATOM 144 CG TYR A 438 0.632 -7.541 0.269 1.00 15.00 C ATOM 145 CD1 TYR A 438 -0.060 -8.289 1.213 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.071 -7.399 -0.994 1.00 15.00 C ATOM 147 CE1 TYR A 438 -1.275 -8.873 0.910 1.00 15.00 C ATOM 148 CE2 TYR A 438 -1.145 -7.979 -1.305 1.00 15.00 C ATOM 149 CZ TYR A 438 -1.812 -8.715 -0.348 1.00 15.00 C ATOM 150 OH TYR A 438 -3.023 -9.298 -0.652 1.00 15.00 O ATOM 0 H TYR A 438 1.973 -4.233 1.469 1.00 15.00 H new ATOM 0 HA TYR A 438 1.486 -6.865 2.688 1.00 15.00 H new ATOM 0 HB2 TYR A 438 2.213 -6.180 -0.161 1.00 15.00 H new ATOM 0 HB3 TYR A 438 2.738 -7.698 0.540 1.00 15.00 H new ATOM 0 HD1 TYR A 438 0.359 -8.416 2.200 1.00 15.00 H new ATOM 0 HD2 TYR A 438 0.594 -6.826 -1.746 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -1.801 -9.450 1.656 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -1.570 -7.857 -2.290 1.00 15.00 H new ATOM 0 HH TYR A 438 -3.262 -9.090 -1.579 1.00 15.00 H new ATOM 160 N LYS A 439 3.975 -7.246 2.999 1.00 15.00 N ATOM 161 CA LYS A 439 5.347 -7.321 3.458 1.00 15.00 C ATOM 162 C LYS A 439 6.016 -8.541 2.862 1.00 15.00 C ATOM 163 O LYS A 439 5.423 -9.622 2.819 1.00 15.00 O ATOM 164 CB LYS A 439 5.392 -7.442 4.980 1.00 15.00 C ATOM 165 CG LYS A 439 6.631 -6.865 5.638 1.00 15.00 C ATOM 166 CD LYS A 439 6.423 -6.758 7.139 1.00 15.00 C ATOM 167 CE LYS A 439 7.639 -6.201 7.853 1.00 15.00 C ATOM 168 NZ LYS A 439 7.358 -5.963 9.293 1.00 15.00 N ATOM 0 H LYS A 439 3.423 -8.082 3.189 1.00 15.00 H new ATOM 0 HA LYS A 439 5.865 -6.414 3.147 1.00 15.00 H new ATOM 0 HB2 LYS A 439 4.515 -6.944 5.394 1.00 15.00 H new ATOM 0 HB3 LYS A 439 5.316 -8.496 5.247 1.00 15.00 H new ATOM 0 HG2 LYS A 439 7.493 -7.498 5.427 1.00 15.00 H new ATOM 0 HG3 LYS A 439 6.848 -5.881 5.222 1.00 15.00 H new ATOM 0 HD2 LYS A 439 5.563 -6.119 7.339 1.00 15.00 H new ATOM 0 HD3 LYS A 439 6.188 -7.743 7.542 1.00 15.00 H new ATOM 0 HE2 LYS A 439 8.472 -6.897 7.753 1.00 15.00 H new ATOM 0 HE3 LYS A 439 7.945 -5.267 7.381 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 8.209 -5.582 9.754 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 6.579 -5.281 9.386 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 7.090 -6.859 9.747 1.00 15.00 H new ATOM 182 N THR A 440 7.242 -8.383 2.421 1.00 15.00 N ATOM 183 CA THR A 440 8.063 -9.533 2.162 1.00 15.00 C ATOM 184 C THR A 440 8.783 -9.806 3.459 1.00 15.00 C ATOM 185 O THR A 440 9.024 -8.874 4.224 1.00 15.00 O ATOM 186 CB THR A 440 9.050 -9.312 1.005 1.00 15.00 C ATOM 187 OG1 THR A 440 9.564 -7.984 1.051 1.00 15.00 O ATOM 188 CG2 THR A 440 8.384 -9.565 -0.341 1.00 15.00 C ATOM 0 H THR A 440 7.684 -7.482 2.238 1.00 15.00 H new ATOM 0 HA THR A 440 7.455 -10.380 1.843 1.00 15.00 H new ATOM 0 HB THR A 440 9.870 -10.022 1.118 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.542 -8.013 1.105 1.00 15.00 H new ATOM 0 HG21 THR A 440 9.106 -9.401 -1.141 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.025 -10.593 -0.382 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.544 -8.882 -0.465 1.00 15.00 H new ATOM 196 N ALA A 441 9.099 -11.047 3.743 1.00 15.00 N ATOM 197 CA ALA A 441 9.556 -11.395 5.076 1.00 15.00 C ATOM 198 C ALA A 441 10.942 -10.815 5.383 1.00 15.00 C ATOM 199 O ALA A 441 11.456 -10.978 6.488 1.00 15.00 O ATOM 200 CB ALA A 441 9.550 -12.901 5.265 1.00 15.00 C ATOM 0 H ALA A 441 9.051 -11.824 3.084 1.00 15.00 H new ATOM 0 HA ALA A 441 8.858 -10.949 5.784 1.00 15.00 H new ATOM 0 HB1 ALA A 441 9.896 -13.143 6.270 1.00 15.00 H new ATOM 0 HB2 ALA A 441 8.538 -13.281 5.128 1.00 15.00 H new ATOM 0 HB3 ALA A 441 10.213 -13.362 4.533 1.00 15.00 H new ATOM 206 N ASP A 442 11.543 -10.138 4.404 1.00 15.00 N ATOM 207 CA ASP A 442 12.790 -9.414 4.629 1.00 15.00 C ATOM 208 C ASP A 442 12.468 -8.033 5.198 1.00 15.00 C ATOM 209 O ASP A 442 13.357 -7.250 5.529 1.00 15.00 O ATOM 210 CB ASP A 442 13.597 -9.288 3.333 1.00 15.00 C ATOM 211 CG ASP A 442 13.099 -8.179 2.428 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.922 -8.220 2.022 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.891 -7.266 2.108 1.00 15.00 O ATOM 0 H ASP A 442 11.186 -10.077 3.450 1.00 15.00 H new ATOM 0 HA ASP A 442 13.401 -9.970 5.341 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.643 -9.105 3.580 1.00 15.00 H new ATOM 0 HB3 ASP A 442 13.557 -10.234 2.794 1.00 15.00 H new ATOM 218 N GLY A 443 11.172 -7.776 5.327 1.00 15.00 N ATOM 219 CA GLY A 443 10.680 -6.586 5.974 1.00 15.00 C ATOM 220 C GLY A 443 10.470 -5.439 5.026 1.00 15.00 C ATOM 221 O GLY A 443 10.482 -4.276 5.429 1.00 15.00 O ATOM 0 H GLY A 443 10.438 -8.394 4.982 1.00 15.00 H new ATOM 0 HA2 GLY A 443 9.738 -6.814 6.472 1.00 15.00 H new ATOM 0 HA3 GLY A 443 11.385 -6.284 6.749 1.00 15.00 H new ATOM 225 N LYS A 444 10.250 -5.764 3.767 1.00 15.00 N ATOM 226 CA LYS A 444 9.801 -4.778 2.812 1.00 15.00 C ATOM 227 C LYS A 444 8.301 -4.637 2.888 1.00 15.00 C ATOM 228 O LYS A 444 7.570 -5.514 2.428 1.00 15.00 O ATOM 229 CB LYS A 444 10.177 -5.157 1.392 1.00 15.00 C ATOM 230 CG LYS A 444 11.640 -5.010 1.107 1.00 15.00 C ATOM 231 CD LYS A 444 11.913 -4.993 -0.386 1.00 15.00 C ATOM 232 CE LYS A 444 13.377 -5.235 -0.707 1.00 15.00 C ATOM 233 NZ LYS A 444 13.765 -6.648 -0.464 1.00 15.00 N ATOM 0 H LYS A 444 10.375 -6.702 3.385 1.00 15.00 H new ATOM 0 HA LYS A 444 10.290 -3.837 3.064 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.880 -6.190 1.208 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.614 -4.535 0.696 1.00 15.00 H new ATOM 0 HG2 LYS A 444 12.009 -4.088 1.557 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.187 -5.832 1.569 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.306 -5.756 -0.873 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.607 -4.031 -0.798 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.569 -4.979 -1.749 1.00 15.00 H new ATOM 0 HE3 LYS A 444 13.997 -4.577 -0.098 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 14.481 -6.936 -1.161 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 14.159 -6.740 0.494 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 12.928 -7.258 -0.554 1.00 15.00 H new ATOM 247 N THR A 445 7.830 -3.567 3.487 1.00 15.00 N ATOM 248 CA THR A 445 6.415 -3.318 3.468 1.00 15.00 C ATOM 249 C THR A 445 6.099 -2.361 2.323 1.00 15.00 C ATOM 250 O THR A 445 6.127 -1.139 2.483 1.00 15.00 O ATOM 251 CB THR A 445 5.939 -2.716 4.800 1.00 15.00 C ATOM 252 OG1 THR A 445 6.528 -3.448 5.882 1.00 15.00 O ATOM 253 CG2 THR A 445 4.420 -2.767 4.912 1.00 15.00 C ATOM 0 H THR A 445 8.392 -2.874 3.980 1.00 15.00 H new ATOM 0 HA THR A 445 5.892 -4.263 3.324 1.00 15.00 H new ATOM 0 HB THR A 445 6.247 -1.671 4.842 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.230 -3.068 6.735 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.111 -2.335 5.864 1.00 15.00 H new ATOM 0 HG22 THR A 445 3.976 -2.200 4.094 1.00 15.00 H new ATOM 0 HG23 THR A 445 4.086 -3.803 4.858 1.00 15.00 H new ATOM 261 N TYR A 446 5.844 -2.932 1.161 1.00 15.00 N ATOM 262 CA TYR A 446 5.376 -2.168 0.013 1.00 15.00 C ATOM 263 C TYR A 446 3.858 -2.204 -0.057 1.00 15.00 C ATOM 264 O TYR A 446 3.226 -3.180 0.348 1.00 15.00 O ATOM 265 CB TYR A 446 5.982 -2.710 -1.285 1.00 15.00 C ATOM 266 CG TYR A 446 5.752 -4.185 -1.512 1.00 15.00 C ATOM 267 CD1 TYR A 446 6.545 -5.128 -0.879 1.00 15.00 C ATOM 268 CD2 TYR A 446 4.752 -4.631 -2.367 1.00 15.00 C ATOM 269 CE1 TYR A 446 6.354 -6.474 -1.087 1.00 15.00 C ATOM 270 CE2 TYR A 446 4.550 -5.979 -2.580 1.00 15.00 C ATOM 271 CZ TYR A 446 5.354 -6.898 -1.939 1.00 15.00 C ATOM 272 OH TYR A 446 5.156 -8.243 -2.153 1.00 15.00 O ATOM 0 H TYR A 446 5.953 -3.930 0.984 1.00 15.00 H new ATOM 0 HA TYR A 446 5.699 -1.134 0.134 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.565 -2.156 -2.126 1.00 15.00 H new ATOM 0 HB3 TYR A 446 7.055 -2.519 -1.278 1.00 15.00 H new ATOM 0 HD1 TYR A 446 7.327 -4.800 -0.210 1.00 15.00 H new ATOM 0 HD2 TYR A 446 4.124 -3.912 -2.872 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.983 -7.195 -0.587 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.767 -6.313 -3.245 1.00 15.00 H new ATOM 0 HH TYR A 446 4.412 -8.369 -2.779 1.00 15.00 H new ATOM 282 N TYR A 447 3.274 -1.150 -0.592 1.00 15.00 N ATOM 283 CA TYR A 447 1.831 -1.034 -0.611 1.00 15.00 C ATOM 284 C TYR A 447 1.265 -1.401 -1.969 1.00 15.00 C ATOM 285 O TYR A 447 1.437 -0.685 -2.957 1.00 15.00 O ATOM 286 CB TYR A 447 1.411 0.367 -0.171 1.00 15.00 C ATOM 287 CG TYR A 447 1.970 0.694 1.192 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.385 0.171 2.334 1.00 15.00 C ATOM 289 CD2 TYR A 447 3.103 1.482 1.337 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.906 0.422 3.586 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.629 1.746 2.588 1.00 15.00 C ATOM 292 CZ TYR A 447 3.027 1.212 3.709 1.00 15.00 C ATOM 293 OH TYR A 447 3.554 1.459 4.954 1.00 15.00 O ATOM 0 H TYR A 447 3.773 -0.368 -1.016 1.00 15.00 H new ATOM 0 HA TYR A 447 1.414 -1.747 0.101 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.761 1.101 -0.897 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.323 0.434 -0.148 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.503 -0.446 2.242 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.580 1.895 0.461 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.438 0.002 4.464 1.00 15.00 H new ATOM 0 HE2 TYR A 447 4.507 2.367 2.687 1.00 15.00 H new ATOM 0 HH TYR A 447 4.522 1.589 4.879 1.00 15.00 H new ATOM 303 N TYR A 448 0.625 -2.555 -1.997 1.00 15.00 N ATOM 304 CA TYR A 448 -0.017 -3.068 -3.186 1.00 15.00 C ATOM 305 C TYR A 448 -1.519 -2.855 -3.076 1.00 15.00 C ATOM 306 O TYR A 448 -2.163 -3.446 -2.237 1.00 15.00 O ATOM 307 CB TYR A 448 0.305 -4.560 -3.341 1.00 15.00 C ATOM 308 CG TYR A 448 -0.079 -5.162 -4.679 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.360 -5.647 -4.913 1.00 15.00 C ATOM 310 CD2 TYR A 448 0.851 -5.256 -5.708 1.00 15.00 C ATOM 311 CE1 TYR A 448 -1.703 -6.205 -6.132 1.00 15.00 C ATOM 312 CE2 TYR A 448 0.517 -5.813 -6.929 1.00 15.00 C ATOM 313 CZ TYR A 448 -0.761 -6.286 -7.136 1.00 15.00 C ATOM 314 OH TYR A 448 -1.100 -6.839 -8.352 1.00 15.00 O ATOM 0 H TYR A 448 0.537 -3.166 -1.185 1.00 15.00 H new ATOM 0 HA TYR A 448 0.352 -2.539 -4.065 1.00 15.00 H new ATOM 0 HB2 TYR A 448 1.375 -4.703 -3.188 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -0.206 -5.111 -2.551 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -2.101 -5.587 -4.130 1.00 15.00 H new ATOM 0 HD2 TYR A 448 1.854 -4.887 -5.551 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -2.704 -6.575 -6.296 1.00 15.00 H new ATOM 0 HE2 TYR A 448 1.254 -5.877 -7.716 1.00 15.00 H new ATOM 0 HH TYR A 448 -0.323 -6.819 -8.949 1.00 15.00 H new ATOM 324 N ASN A 449 -2.076 -2.004 -3.908 1.00 15.00 N ATOM 325 CA ASN A 449 -3.519 -1.741 -3.854 1.00 15.00 C ATOM 326 C ASN A 449 -4.247 -2.691 -4.747 1.00 15.00 C ATOM 327 O ASN A 449 -3.709 -3.135 -5.734 1.00 15.00 O ATOM 328 CB ASN A 449 -3.783 -0.272 -4.077 1.00 15.00 C ATOM 329 CG ASN A 449 -5.215 0.115 -4.501 1.00 15.00 C ATOM 330 OD1 ASN A 449 -5.909 -0.612 -5.213 1.00 15.00 O ATOM 331 ND2 ASN A 449 -5.639 1.307 -4.119 1.00 15.00 N ATOM 0 H ASN A 449 -1.571 -1.483 -4.625 1.00 15.00 H new ATOM 0 HA ASN A 449 -3.925 -1.941 -2.863 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.544 0.261 -3.157 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.093 0.086 -4.841 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -6.557 1.641 -4.414 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.049 1.893 -3.529 1.00 15.00 H new ATOM 338 N ASN A 450 -5.460 -3.038 -4.355 1.00 15.00 N ATOM 339 CA ASN A 450 -6.068 -4.260 -4.827 1.00 15.00 C ATOM 340 C ASN A 450 -7.247 -4.032 -5.772 1.00 15.00 C ATOM 341 O ASN A 450 -7.828 -4.988 -6.285 1.00 15.00 O ATOM 342 CB ASN A 450 -6.462 -5.113 -3.618 1.00 15.00 C ATOM 343 CG ASN A 450 -7.323 -4.364 -2.594 1.00 15.00 C ATOM 344 OD1 ASN A 450 -8.541 -4.291 -2.757 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.740 -3.839 -1.498 1.00 15.00 N ATOM 0 H ASN A 450 -6.037 -2.492 -3.715 1.00 15.00 H new ATOM 0 HA ASN A 450 -5.332 -4.791 -5.430 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -7.006 -5.991 -3.965 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.558 -5.472 -3.127 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.309 -3.374 -0.791 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -5.730 -3.907 -1.376 1.00 15.00 H new ATOM 352 N ARG A 451 -7.592 -2.779 -6.033 1.00 15.00 N ATOM 353 CA ARG A 451 -8.603 -2.491 -7.050 1.00 15.00 C ATOM 354 C ARG A 451 -7.941 -2.033 -8.341 1.00 15.00 C ATOM 355 O ARG A 451 -8.451 -2.268 -9.434 1.00 15.00 O ATOM 356 CB ARG A 451 -9.610 -1.431 -6.589 1.00 15.00 C ATOM 357 CG ARG A 451 -8.972 -0.124 -6.165 1.00 15.00 C ATOM 358 CD ARG A 451 -10.008 0.970 -5.972 1.00 15.00 C ATOM 359 NE ARG A 451 -10.514 1.488 -7.240 1.00 15.00 N ATOM 360 CZ ARG A 451 -10.146 2.661 -7.755 1.00 15.00 C ATOM 361 NH1 ARG A 451 -9.243 3.412 -7.130 1.00 15.00 N ATOM 362 NH2 ARG A 451 -10.679 3.086 -8.893 1.00 15.00 N ATOM 0 H ARG A 451 -7.200 -1.960 -5.569 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.150 -3.418 -7.222 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -10.313 -1.235 -7.398 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -10.187 -1.830 -5.755 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -8.422 -0.272 -5.236 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -8.248 0.189 -6.918 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -10.839 0.580 -5.385 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -9.568 1.786 -5.399 1.00 15.00 H new ATOM 0 HE ARG A 451 -11.185 0.922 -7.759 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -8.830 3.091 -6.254 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -8.963 4.309 -7.527 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -11.372 2.515 -9.376 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -10.396 3.984 -9.285 1.00 15.00 H new ATOM 376 N THR A 452 -6.815 -1.356 -8.203 1.00 15.00 N ATOM 377 CA THR A 452 -6.097 -0.833 -9.350 1.00 15.00 C ATOM 378 C THR A 452 -4.706 -1.460 -9.436 1.00 15.00 C ATOM 379 O THR A 452 -4.010 -1.334 -10.441 1.00 15.00 O ATOM 380 CB THR A 452 -5.989 0.695 -9.237 1.00 15.00 C ATOM 381 OG1 THR A 452 -7.269 1.235 -8.889 1.00 15.00 O ATOM 382 CG2 THR A 452 -5.516 1.317 -10.535 1.00 15.00 C ATOM 0 H THR A 452 -6.377 -1.155 -7.304 1.00 15.00 H new ATOM 0 HA THR A 452 -6.643 -1.085 -10.259 1.00 15.00 H new ATOM 0 HB THR A 452 -5.256 0.928 -8.464 1.00 15.00 H new ATOM 0 HG1 THR A 452 -7.203 2.210 -8.814 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.451 2.399 -10.418 1.00 15.00 H new ATOM 0 HG22 THR A 452 -4.534 0.921 -10.792 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.222 1.080 -11.331 1.00 15.00 H new ATOM 390 N LEU A 453 -4.343 -2.157 -8.362 1.00 15.00 N ATOM 391 CA LEU A 453 -3.075 -2.876 -8.229 1.00 15.00 C ATOM 392 C LEU A 453 -1.853 -2.007 -8.490 1.00 15.00 C ATOM 393 O LEU A 453 -1.436 -1.760 -9.622 1.00 15.00 O ATOM 394 CB LEU A 453 -3.045 -4.220 -8.972 1.00 15.00 C ATOM 395 CG LEU A 453 -3.527 -4.239 -10.426 1.00 15.00 C ATOM 396 CD1 LEU A 453 -2.706 -5.229 -11.230 1.00 15.00 C ATOM 397 CD2 LEU A 453 -5.005 -4.606 -10.501 1.00 15.00 C ATOM 0 H LEU A 453 -4.937 -2.241 -7.537 1.00 15.00 H new ATOM 0 HA LEU A 453 -3.013 -3.141 -7.173 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -2.020 -4.591 -8.953 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -3.651 -4.929 -8.408 1.00 15.00 H new ATOM 0 HG LEU A 453 -3.399 -3.241 -10.845 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -3.055 -5.237 -12.263 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -1.656 -4.937 -11.204 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -2.816 -6.225 -10.802 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -5.326 -4.613 -11.543 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -5.157 -5.595 -10.068 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -5.591 -3.873 -9.946 1.00 15.00 H new ATOM 409 N TYR A 454 -1.312 -1.535 -7.376 1.00 15.00 N ATOM 410 CA TYR A 454 -0.134 -0.669 -7.341 1.00 15.00 C ATOM 411 C TYR A 454 0.978 -1.388 -6.616 1.00 15.00 C ATOM 412 O TYR A 454 0.705 -2.079 -5.645 1.00 15.00 O ATOM 413 CB TYR A 454 -0.428 0.590 -6.520 1.00 15.00 C ATOM 414 CG TYR A 454 -1.643 1.358 -6.922 1.00 15.00 C ATOM 415 CD1 TYR A 454 -2.842 0.908 -6.501 1.00 15.00 C ATOM 416 CD2 TYR A 454 -1.592 2.539 -7.642 1.00 15.00 C ATOM 417 CE1 TYR A 454 -3.996 1.562 -6.753 1.00 15.00 C ATOM 418 CE2 TYR A 454 -2.756 3.231 -7.929 1.00 15.00 C ATOM 419 CZ TYR A 454 -3.967 2.737 -7.476 1.00 15.00 C ATOM 420 OH TYR A 454 -5.131 3.421 -7.738 1.00 15.00 O ATOM 0 H TYR A 454 -1.685 -1.746 -6.450 1.00 15.00 H new ATOM 0 HA TYR A 454 0.135 -0.415 -8.366 1.00 15.00 H new ATOM 0 HB2 TYR A 454 -0.533 0.303 -5.474 1.00 15.00 H new ATOM 0 HB3 TYR A 454 0.435 1.252 -6.584 1.00 15.00 H new ATOM 0 HD1 TYR A 454 -2.881 -0.013 -5.939 1.00 15.00 H new ATOM 0 HD2 TYR A 454 -0.641 2.922 -7.981 1.00 15.00 H new ATOM 0 HE1 TYR A 454 -4.935 1.169 -6.391 1.00 15.00 H new ATOM 0 HE2 TYR A 454 -2.720 4.147 -8.500 1.00 15.00 H new ATOM 0 HH TYR A 454 -4.927 4.227 -8.257 1.00 15.00 H new ATOM 430 N SER A 455 2.210 -1.209 -7.044 1.00 15.00 N ATOM 431 CA SER A 455 3.338 -1.601 -6.220 1.00 15.00 C ATOM 432 C SER A 455 4.194 -0.388 -5.905 1.00 15.00 C ATOM 433 O SER A 455 5.031 0.027 -6.705 1.00 15.00 O ATOM 434 CB SER A 455 4.171 -2.707 -6.868 1.00 15.00 C ATOM 435 OG SER A 455 4.338 -2.492 -8.259 1.00 15.00 O ATOM 0 H SER A 455 2.456 -0.800 -7.945 1.00 15.00 H new ATOM 0 HA SER A 455 2.945 -2.011 -5.290 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.148 -2.755 -6.388 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.687 -3.670 -6.704 1.00 15.00 H new ATOM 0 HG SER A 455 4.625 -1.568 -8.415 1.00 15.00 H new ATOM 441 N THR A 456 3.937 0.216 -4.762 1.00 15.00 N ATOM 442 CA THR A 456 4.685 1.382 -4.350 1.00 15.00 C ATOM 443 C THR A 456 5.443 1.105 -3.058 1.00 15.00 C ATOM 444 O THR A 456 4.874 0.655 -2.062 1.00 15.00 O ATOM 445 CB THR A 456 3.782 2.634 -4.204 1.00 15.00 C ATOM 446 OG1 THR A 456 4.536 3.729 -3.669 1.00 15.00 O ATOM 447 CG2 THR A 456 2.571 2.362 -3.323 1.00 15.00 C ATOM 0 H THR A 456 3.217 -0.082 -4.104 1.00 15.00 H new ATOM 0 HA THR A 456 5.407 1.599 -5.137 1.00 15.00 H new ATOM 0 HB THR A 456 3.419 2.892 -5.199 1.00 15.00 H new ATOM 0 HG1 THR A 456 4.326 3.837 -2.718 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.966 3.265 -3.248 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.975 1.561 -3.761 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.904 2.064 -2.329 1.00 15.00 H new ATOM 455 N TRP A 457 6.743 1.339 -3.113 1.00 15.00 N ATOM 456 CA TRP A 457 7.621 1.163 -1.964 1.00 15.00 C ATOM 457 C TRP A 457 7.572 2.395 -1.063 1.00 15.00 C ATOM 458 O TRP A 457 8.142 2.404 0.030 1.00 15.00 O ATOM 459 CB TRP A 457 9.057 0.907 -2.438 1.00 15.00 C ATOM 460 CG TRP A 457 9.159 -0.223 -3.422 1.00 15.00 C ATOM 461 CD1 TRP A 457 9.169 -0.129 -4.785 1.00 15.00 C ATOM 462 CD2 TRP A 457 9.253 -1.619 -3.116 1.00 15.00 C ATOM 463 NE1 TRP A 457 9.265 -1.382 -5.343 1.00 15.00 N ATOM 464 CE2 TRP A 457 9.316 -2.311 -4.340 1.00 15.00 C ATOM 465 CE3 TRP A 457 9.291 -2.350 -1.929 1.00 15.00 C ATOM 466 CZ2 TRP A 457 9.413 -3.699 -4.404 1.00 15.00 C ATOM 467 CZ3 TRP A 457 9.386 -3.725 -1.997 1.00 15.00 C ATOM 468 CH2 TRP A 457 9.447 -4.387 -3.226 1.00 15.00 C ATOM 0 H TRP A 457 7.222 1.657 -3.956 1.00 15.00 H new ATOM 0 HA TRP A 457 7.280 0.302 -1.389 1.00 15.00 H new ATOM 0 HB2 TRP A 457 9.450 1.815 -2.895 1.00 15.00 H new ATOM 0 HB3 TRP A 457 9.685 0.687 -1.574 1.00 15.00 H new ATOM 0 HD1 TRP A 457 9.110 0.794 -5.342 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.294 -1.586 -6.342 1.00 15.00 H new ATOM 0 HE3 TRP A 457 9.247 -1.849 -0.973 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 9.460 -4.213 -5.353 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.414 -4.300 -1.083 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.523 -5.464 -3.244 1.00 15.00 H new ATOM 479 N GLU A 458 6.909 3.437 -1.544 1.00 15.00 N ATOM 480 CA GLU A 458 6.721 4.659 -0.778 1.00 15.00 C ATOM 481 C GLU A 458 5.284 4.697 -0.277 1.00 15.00 C ATOM 482 O GLU A 458 4.353 4.430 -1.041 1.00 15.00 O ATOM 483 CB GLU A 458 7.026 5.879 -1.664 1.00 15.00 C ATOM 484 CG GLU A 458 7.471 7.134 -0.912 1.00 15.00 C ATOM 485 CD GLU A 458 6.352 7.836 -0.164 1.00 15.00 C ATOM 486 OE1 GLU A 458 5.474 8.439 -0.817 1.00 15.00 O ATOM 487 OE2 GLU A 458 6.356 7.813 1.086 1.00 15.00 O ATOM 0 H GLU A 458 6.488 3.459 -2.473 1.00 15.00 H new ATOM 0 HA GLU A 458 7.400 4.683 0.074 1.00 15.00 H new ATOM 0 HB2 GLU A 458 7.805 5.606 -2.376 1.00 15.00 H new ATOM 0 HB3 GLU A 458 6.135 6.119 -2.244 1.00 15.00 H new ATOM 0 HG2 GLU A 458 8.253 6.862 -0.203 1.00 15.00 H new ATOM 0 HG3 GLU A 458 7.913 7.833 -1.622 1.00 15.00 H new ATOM 494 N LYS A 459 5.116 5.007 1.001 1.00 15.00 N ATOM 495 CA LYS A 459 3.797 5.061 1.621 1.00 15.00 C ATOM 496 C LYS A 459 2.903 6.037 0.862 1.00 15.00 C ATOM 497 O LYS A 459 3.220 7.222 0.768 1.00 15.00 O ATOM 498 CB LYS A 459 3.926 5.497 3.084 1.00 15.00 C ATOM 499 CG LYS A 459 2.691 5.226 3.924 1.00 15.00 C ATOM 500 CD LYS A 459 2.797 5.854 5.309 1.00 15.00 C ATOM 501 CE LYS A 459 4.037 5.391 6.069 1.00 15.00 C ATOM 502 NZ LYS A 459 4.048 3.921 6.290 1.00 15.00 N ATOM 0 H LYS A 459 5.884 5.227 1.635 1.00 15.00 H new ATOM 0 HA LYS A 459 3.347 4.069 1.585 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.776 4.982 3.531 1.00 15.00 H new ATOM 0 HB3 LYS A 459 4.147 6.564 3.116 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.811 5.619 3.414 1.00 15.00 H new ATOM 0 HG3 LYS A 459 2.548 4.150 4.023 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.819 6.939 5.211 1.00 15.00 H new ATOM 0 HD3 LYS A 459 1.907 5.604 5.886 1.00 15.00 H new ATOM 0 HE2 LYS A 459 4.929 5.679 5.513 1.00 15.00 H new ATOM 0 HE3 LYS A 459 4.082 5.901 7.031 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 4.917 3.652 6.795 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 3.220 3.649 6.857 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 4.015 3.432 5.373 1.00 15.00 H new ATOM 516 N PRO A 460 1.764 5.563 0.328 1.00 15.00 N ATOM 517 CA PRO A 460 0.900 6.384 -0.518 1.00 15.00 C ATOM 518 C PRO A 460 0.369 7.584 0.247 1.00 15.00 C ATOM 519 O PRO A 460 0.245 7.543 1.474 1.00 15.00 O ATOM 520 CB PRO A 460 -0.234 5.442 -0.922 1.00 15.00 C ATOM 521 CG PRO A 460 -0.212 4.341 0.075 1.00 15.00 C ATOM 522 CD PRO A 460 1.208 4.221 0.551 1.00 15.00 C ATOM 0 HA PRO A 460 1.427 6.793 -1.380 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.194 5.958 -0.915 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -0.085 5.060 -1.932 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -0.882 4.558 0.907 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.551 3.407 -0.372 1.00 15.00 H new ATOM 0 HD2 PRO A 460 1.255 3.937 1.602 1.00 15.00 H new ATOM 0 HD3 PRO A 460 1.755 3.463 -0.009 1.00 15.00 H new ATOM 530 N GLN A 461 0.022 8.636 -0.472 1.00 15.00 N ATOM 531 CA GLN A 461 -0.295 9.907 0.156 1.00 15.00 C ATOM 532 C GLN A 461 -1.577 9.817 0.990 1.00 15.00 C ATOM 533 O GLN A 461 -1.828 10.667 1.841 1.00 15.00 O ATOM 534 CB GLN A 461 -0.413 11.019 -0.887 1.00 15.00 C ATOM 535 CG GLN A 461 0.797 11.168 -1.811 1.00 15.00 C ATOM 536 CD GLN A 461 2.132 10.895 -1.131 1.00 15.00 C ATOM 537 OE1 GLN A 461 2.693 11.761 -0.459 1.00 15.00 O ATOM 538 NE2 GLN A 461 2.682 9.707 -1.356 1.00 15.00 N ATOM 0 H GLN A 461 -0.048 8.636 -1.490 1.00 15.00 H new ATOM 0 HA GLN A 461 0.527 10.151 0.829 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -1.297 10.832 -1.497 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -0.576 11.965 -0.371 1.00 15.00 H new ATOM 0 HG2 GLN A 461 0.684 10.486 -2.654 1.00 15.00 H new ATOM 0 HG3 GLN A 461 0.808 12.179 -2.218 1.00 15.00 H new ATOM 0 HE21 GLN A 461 2.187 9.014 -1.918 1.00 15.00 H new ATOM 0 HE22 GLN A 461 3.599 9.488 -0.967 1.00 15.00 H new ATOM 547 N GLU A 462 -2.389 8.794 0.741 1.00 15.00 N ATOM 548 CA GLU A 462 -3.604 8.575 1.526 1.00 15.00 C ATOM 549 C GLU A 462 -3.324 7.742 2.777 1.00 15.00 C ATOM 550 O GLU A 462 -4.156 7.668 3.681 1.00 15.00 O ATOM 551 CB GLU A 462 -4.721 7.930 0.690 1.00 15.00 C ATOM 552 CG GLU A 462 -4.262 6.825 -0.251 1.00 15.00 C ATOM 553 CD GLU A 462 -3.645 7.369 -1.524 1.00 15.00 C ATOM 554 OE1 GLU A 462 -4.403 7.772 -2.432 1.00 15.00 O ATOM 555 OE2 GLU A 462 -2.403 7.417 -1.613 1.00 15.00 O ATOM 0 H GLU A 462 -2.231 8.105 0.006 1.00 15.00 H new ATOM 0 HA GLU A 462 -3.950 9.559 1.843 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -5.472 7.522 1.367 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -5.210 8.707 0.103 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -3.535 6.194 0.261 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.112 6.191 -0.504 1.00 15.00 H new ATOM 562 N LEU A 463 -2.152 7.119 2.832 1.00 15.00 N ATOM 563 CA LEU A 463 -1.726 6.422 4.042 1.00 15.00 C ATOM 564 C LEU A 463 -0.935 7.375 4.930 1.00 15.00 C ATOM 565 O LEU A 463 -0.625 7.063 6.083 1.00 15.00 O ATOM 566 CB LEU A 463 -0.896 5.172 3.716 1.00 15.00 C ATOM 567 CG LEU A 463 -1.702 3.932 3.303 1.00 15.00 C ATOM 568 CD1 LEU A 463 -0.780 2.797 2.905 1.00 15.00 C ATOM 569 CD2 LEU A 463 -2.593 3.467 4.435 1.00 15.00 C ATOM 0 H LEU A 463 -1.485 7.082 2.061 1.00 15.00 H new ATOM 0 HA LEU A 463 -2.617 6.087 4.574 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.202 5.417 2.912 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -0.295 4.919 4.589 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.319 4.213 2.449 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.374 1.930 2.617 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.161 3.109 2.064 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.141 2.535 3.748 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.154 2.588 4.119 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.980 3.215 5.300 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.287 4.264 4.702 1.00 15.00 H new ATOM 581 N LYS A 464 -0.601 8.537 4.380 1.00 15.00 N ATOM 582 CA LYS A 464 0.040 9.589 5.149 1.00 15.00 C ATOM 583 C LYS A 464 -1.016 10.401 5.885 1.00 15.00 C ATOM 584 O LYS A 464 -1.086 10.304 7.124 1.00 15.00 O ATOM 585 CB LYS A 464 0.876 10.515 4.255 1.00 15.00 C ATOM 586 CG LYS A 464 2.127 9.869 3.676 1.00 15.00 C ATOM 587 CD LYS A 464 3.098 10.925 3.168 1.00 15.00 C ATOM 588 CE LYS A 464 4.377 10.313 2.626 1.00 15.00 C ATOM 589 NZ LYS A 464 4.167 9.631 1.324 1.00 15.00 N ATOM 590 OXT LYS A 464 -1.798 11.104 5.218 1.00 15.00 O ATOM 0 H LYS A 464 -0.766 8.772 3.401 1.00 15.00 H new ATOM 0 HA LYS A 464 0.713 9.119 5.866 1.00 15.00 H new ATOM 0 HB2 LYS A 464 0.252 10.869 3.435 1.00 15.00 H new ATOM 0 HB3 LYS A 464 1.169 11.391 4.833 1.00 15.00 H new ATOM 0 HG2 LYS A 464 2.612 9.259 4.438 1.00 15.00 H new ATOM 0 HG3 LYS A 464 1.852 9.200 2.861 1.00 15.00 H new ATOM 0 HD2 LYS A 464 2.617 11.512 2.385 1.00 15.00 H new ATOM 0 HD3 LYS A 464 3.341 11.613 3.978 1.00 15.00 H new ATOM 0 HE2 LYS A 464 5.129 11.093 2.508 1.00 15.00 H new ATOM 0 HE3 LYS A 464 4.770 9.598 3.349 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 4.337 8.611 1.435 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 3.190 9.786 1.004 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 4.827 10.017 0.619 1.00 15.00 H new TER 604 LYS A 464