USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 290 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 449 ASN : amide:sc= -0.0986 K(o=1.2,f=-11!) USER MOD Set 1.2: A 452 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 456 TYR OH : rot 84:sc= 1.31 USER MOD Set 2.1: A 436 THR OG1 : rot -150:sc= 0.633 USER MOD Set 2.2: A 450 ASN : amide:sc= 0.455! C(o=1.1!,f=-0.92!) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 433 SER OG : rot -31:sc= 0.262 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0675) USER MOD Single : A 440 THR OG1 : rot -64:sc= 0.489 USER MOD Single : A 444 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.18) USER MOD Single : A 445 THR OG1 : rot 173:sc= -2.06! USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 130:sc= 0 USER MOD Single : A 455 SER OG : rot -11:sc= 0.152 USER MOD Single : A 459 LYS NZ :NH3+ -121:sc= 1.27 (180deg=0.0154) USER MOD Single : A 461 GLN : amide:sc= -0.995 K(o=-1,f=-2.3) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -1.549 11.817 -1.596 1.00 15.00 N ATOM 2 CA GLY A 428 -0.568 11.223 -0.660 1.00 15.00 C ATOM 3 C GLY A 428 0.510 12.209 -0.261 1.00 15.00 C ATOM 4 O GLY A 428 0.361 12.935 0.724 1.00 15.00 O ATOM 0 HA2 GLY A 428 -1.086 10.872 0.233 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -0.107 10.351 -1.124 1.00 15.00 H new ATOM 10 N ALA A 429 1.592 12.241 -1.031 1.00 15.00 N ATOM 11 CA ALA A 429 2.717 13.120 -0.751 1.00 15.00 C ATOM 12 C ALA A 429 3.590 13.258 -1.988 1.00 15.00 C ATOM 13 O ALA A 429 3.408 12.530 -2.962 1.00 15.00 O ATOM 14 CB ALA A 429 3.536 12.594 0.423 1.00 15.00 C ATOM 0 H ALA A 429 1.712 11.661 -1.862 1.00 15.00 H new ATOM 0 HA ALA A 429 2.330 14.102 -0.481 1.00 15.00 H new ATOM 0 HB1 ALA A 429 4.372 13.267 0.614 1.00 15.00 H new ATOM 0 HB2 ALA A 429 2.905 12.537 1.310 1.00 15.00 H new ATOM 0 HB3 ALA A 429 3.917 11.601 0.185 1.00 15.00 H new ATOM 20 N THR A 430 4.532 14.186 -1.946 1.00 15.00 N ATOM 21 CA THR A 430 5.439 14.409 -3.060 1.00 15.00 C ATOM 22 C THR A 430 6.647 13.477 -2.989 1.00 15.00 C ATOM 23 O THR A 430 7.487 13.458 -3.889 1.00 15.00 O ATOM 24 CB THR A 430 5.903 15.871 -3.079 1.00 15.00 C ATOM 25 OG1 THR A 430 6.100 16.325 -1.732 1.00 15.00 O ATOM 26 CG2 THR A 430 4.881 16.758 -3.777 1.00 15.00 C ATOM 0 H THR A 430 4.689 14.800 -1.147 1.00 15.00 H new ATOM 0 HA THR A 430 4.899 14.191 -3.981 1.00 15.00 H new ATOM 0 HB THR A 430 6.841 15.932 -3.631 1.00 15.00 H new ATOM 0 HG1 THR A 430 6.398 17.258 -1.742 1.00 15.00 H new ATOM 0 HG21 THR A 430 5.234 17.789 -3.777 1.00 15.00 H new ATOM 0 HG22 THR A 430 4.748 16.420 -4.805 1.00 15.00 H new ATOM 0 HG23 THR A 430 3.929 16.700 -3.250 1.00 15.00 H new ATOM 34 N ALA A 431 6.726 12.706 -1.914 1.00 15.00 N ATOM 35 CA ALA A 431 7.786 11.726 -1.745 1.00 15.00 C ATOM 36 C ALA A 431 7.222 10.445 -1.148 1.00 15.00 C ATOM 37 O ALA A 431 7.000 10.356 0.058 1.00 15.00 O ATOM 38 CB ALA A 431 8.899 12.285 -0.867 1.00 15.00 C ATOM 0 H ALA A 431 6.062 12.742 -1.141 1.00 15.00 H new ATOM 0 HA ALA A 431 8.210 11.497 -2.723 1.00 15.00 H new ATOM 0 HB1 ALA A 431 9.683 11.536 -0.753 1.00 15.00 H new ATOM 0 HB2 ALA A 431 9.316 13.178 -1.332 1.00 15.00 H new ATOM 0 HB3 ALA A 431 8.496 12.541 0.113 1.00 15.00 H new ATOM 44 N VAL A 432 6.956 9.470 -2.003 1.00 15.00 N ATOM 45 CA VAL A 432 6.393 8.205 -1.566 1.00 15.00 C ATOM 46 C VAL A 432 7.272 7.041 -2.015 1.00 15.00 C ATOM 47 O VAL A 432 7.253 6.649 -3.182 1.00 15.00 O ATOM 48 CB VAL A 432 4.961 8.000 -2.111 1.00 15.00 C ATOM 49 CG1 VAL A 432 4.366 6.693 -1.602 1.00 15.00 C ATOM 50 CG2 VAL A 432 4.066 9.176 -1.744 1.00 15.00 C ATOM 0 H VAL A 432 7.122 9.532 -3.007 1.00 15.00 H new ATOM 0 HA VAL A 432 6.350 8.233 -0.477 1.00 15.00 H new ATOM 0 HB VAL A 432 5.022 7.945 -3.198 1.00 15.00 H new ATOM 0 HG11 VAL A 432 3.358 6.573 -2.000 1.00 15.00 H new ATOM 0 HG12 VAL A 432 4.987 5.859 -1.929 1.00 15.00 H new ATOM 0 HG13 VAL A 432 4.326 6.711 -0.513 1.00 15.00 H new ATOM 0 HG21 VAL A 432 3.064 9.008 -2.139 1.00 15.00 H new ATOM 0 HG22 VAL A 432 4.017 9.272 -0.659 1.00 15.00 H new ATOM 0 HG23 VAL A 432 4.475 10.092 -2.171 1.00 15.00 H new ATOM 60 N SER A 433 8.062 6.512 -1.092 1.00 15.00 N ATOM 61 CA SER A 433 8.884 5.347 -1.380 1.00 15.00 C ATOM 62 C SER A 433 8.565 4.229 -0.394 1.00 15.00 C ATOM 63 O SER A 433 9.070 3.110 -0.514 1.00 15.00 O ATOM 64 CB SER A 433 10.372 5.714 -1.316 1.00 15.00 C ATOM 65 OG SER A 433 11.188 4.626 -1.717 1.00 15.00 O ATOM 0 H SER A 433 8.151 6.870 -0.141 1.00 15.00 H new ATOM 0 HA SER A 433 8.661 4.998 -2.388 1.00 15.00 H new ATOM 0 HB2 SER A 433 10.565 6.573 -1.959 1.00 15.00 H new ATOM 0 HB3 SER A 433 10.632 6.012 -0.300 1.00 15.00 H new ATOM 0 HG SER A 433 10.747 3.783 -1.482 1.00 15.00 H new ATOM 71 N GLU A 434 7.714 4.540 0.574 1.00 15.00 N ATOM 72 CA GLU A 434 7.352 3.589 1.617 1.00 15.00 C ATOM 73 C GLU A 434 6.097 2.816 1.237 1.00 15.00 C ATOM 74 O GLU A 434 5.800 1.777 1.820 1.00 15.00 O ATOM 75 CB GLU A 434 7.123 4.307 2.954 1.00 15.00 C ATOM 76 CG GLU A 434 8.361 4.987 3.532 1.00 15.00 C ATOM 77 CD GLU A 434 8.898 6.105 2.658 1.00 15.00 C ATOM 78 OE1 GLU A 434 8.125 7.014 2.302 1.00 15.00 O ATOM 79 OE2 GLU A 434 10.093 6.061 2.310 1.00 15.00 O ATOM 0 H GLU A 434 7.259 5.449 0.659 1.00 15.00 H new ATOM 0 HA GLU A 434 8.181 2.889 1.725 1.00 15.00 H new ATOM 0 HB2 GLU A 434 6.343 5.056 2.820 1.00 15.00 H new ATOM 0 HB3 GLU A 434 6.750 3.585 3.680 1.00 15.00 H new ATOM 0 HG2 GLU A 434 8.119 5.389 4.516 1.00 15.00 H new ATOM 0 HG3 GLU A 434 9.143 4.241 3.676 1.00 15.00 H new ATOM 86 N TRP A 435 5.362 3.336 0.264 1.00 15.00 N ATOM 87 CA TRP A 435 4.108 2.729 -0.150 1.00 15.00 C ATOM 88 C TRP A 435 4.168 2.336 -1.619 1.00 15.00 C ATOM 89 O TRP A 435 4.374 3.181 -2.492 1.00 15.00 O ATOM 90 CB TRP A 435 2.943 3.698 0.082 1.00 15.00 C ATOM 91 CG TRP A 435 2.840 4.193 1.494 1.00 15.00 C ATOM 92 CD1 TRP A 435 3.062 5.468 1.936 1.00 15.00 C ATOM 93 CD2 TRP A 435 2.498 3.422 2.650 1.00 15.00 C ATOM 94 NE1 TRP A 435 2.872 5.537 3.293 1.00 15.00 N ATOM 95 CE2 TRP A 435 2.526 4.294 3.756 1.00 15.00 C ATOM 96 CE3 TRP A 435 2.168 2.081 2.858 1.00 15.00 C ATOM 97 CZ2 TRP A 435 2.235 3.867 5.047 1.00 15.00 C ATOM 98 CZ3 TRP A 435 1.880 1.660 4.139 1.00 15.00 C ATOM 99 CH2 TRP A 435 1.915 2.550 5.220 1.00 15.00 C ATOM 0 H TRP A 435 5.614 4.178 -0.253 1.00 15.00 H new ATOM 0 HA TRP A 435 3.947 1.833 0.449 1.00 15.00 H new ATOM 0 HB2 TRP A 435 3.055 4.552 -0.586 1.00 15.00 H new ATOM 0 HB3 TRP A 435 2.011 3.202 -0.188 1.00 15.00 H new ATOM 0 HD1 TRP A 435 3.346 6.300 1.308 1.00 15.00 H new ATOM 0 HE1 TRP A 435 2.972 6.376 3.864 1.00 15.00 H new ATOM 0 HE3 TRP A 435 2.139 1.387 2.031 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 2.261 4.551 5.882 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.623 0.625 4.312 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.684 2.188 6.211 1.00 15.00 H new ATOM 110 N THR A 436 4.009 1.054 -1.892 1.00 15.00 N ATOM 111 CA THR A 436 4.000 0.566 -3.258 1.00 15.00 C ATOM 112 C THR A 436 2.782 -0.328 -3.500 1.00 15.00 C ATOM 113 O THR A 436 2.625 -1.368 -2.857 1.00 15.00 O ATOM 114 CB THR A 436 5.298 -0.204 -3.570 1.00 15.00 C ATOM 115 OG1 THR A 436 6.430 0.620 -3.244 1.00 15.00 O ATOM 116 CG2 THR A 436 5.364 -0.599 -5.039 1.00 15.00 C ATOM 0 H THR A 436 3.884 0.331 -1.184 1.00 15.00 H new ATOM 0 HA THR A 436 3.940 1.425 -3.926 1.00 15.00 H new ATOM 0 HB THR A 436 5.311 -1.114 -2.971 1.00 15.00 H new ATOM 0 HG1 THR A 436 7.180 0.394 -3.833 1.00 15.00 H new ATOM 0 HG21 THR A 436 6.291 -1.141 -5.229 1.00 15.00 H new ATOM 0 HG22 THR A 436 4.514 -1.237 -5.283 1.00 15.00 H new ATOM 0 HG23 THR A 436 5.334 0.297 -5.658 1.00 15.00 H new ATOM 124 N GLU A 437 1.910 0.095 -4.410 1.00 15.00 N ATOM 125 CA GLU A 437 0.691 -0.649 -4.701 1.00 15.00 C ATOM 126 C GLU A 437 0.921 -1.666 -5.814 1.00 15.00 C ATOM 127 O GLU A 437 1.365 -1.325 -6.913 1.00 15.00 O ATOM 128 CB GLU A 437 -0.453 0.304 -5.077 1.00 15.00 C ATOM 129 CG GLU A 437 -0.165 1.191 -6.276 1.00 15.00 C ATOM 130 CD GLU A 437 -1.339 2.078 -6.639 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.279 1.589 -7.299 1.00 15.00 O ATOM 132 OE2 GLU A 437 -1.318 3.272 -6.276 1.00 15.00 O ATOM 0 H GLU A 437 2.025 0.948 -4.957 1.00 15.00 H new ATOM 0 HA GLU A 437 0.409 -1.190 -3.798 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.347 -0.285 -5.283 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.679 0.937 -4.219 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.704 1.814 -6.063 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.093 0.567 -7.132 1.00 15.00 H new ATOM 139 N TYR A 438 0.632 -2.919 -5.517 1.00 15.00 N ATOM 140 CA TYR A 438 0.716 -3.974 -6.509 1.00 15.00 C ATOM 141 C TYR A 438 -0.679 -4.373 -6.955 1.00 15.00 C ATOM 142 O TYR A 438 -1.516 -4.762 -6.135 1.00 15.00 O ATOM 143 CB TYR A 438 1.443 -5.191 -5.949 1.00 15.00 C ATOM 144 CG TYR A 438 2.890 -4.941 -5.590 1.00 15.00 C ATOM 145 CD1 TYR A 438 3.246 -4.503 -4.321 1.00 15.00 C ATOM 146 CD2 TYR A 438 3.901 -5.155 -6.518 1.00 15.00 C ATOM 147 CE1 TYR A 438 4.566 -4.283 -3.988 1.00 15.00 C ATOM 148 CE2 TYR A 438 5.226 -4.941 -6.191 1.00 15.00 C ATOM 149 CZ TYR A 438 5.552 -4.503 -4.924 1.00 15.00 C ATOM 150 OH TYR A 438 6.869 -4.289 -4.591 1.00 15.00 O ATOM 0 H TYR A 438 0.336 -3.232 -4.592 1.00 15.00 H new ATOM 0 HA TYR A 438 1.279 -3.598 -7.363 1.00 15.00 H new ATOM 0 HB2 TYR A 438 0.915 -5.538 -5.061 1.00 15.00 H new ATOM 0 HB3 TYR A 438 1.397 -5.996 -6.682 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.476 -4.332 -3.583 1.00 15.00 H new ATOM 0 HD2 TYR A 438 3.647 -5.494 -7.511 1.00 15.00 H new ATOM 0 HE1 TYR A 438 4.825 -3.940 -2.997 1.00 15.00 H new ATOM 0 HE2 TYR A 438 6.001 -5.115 -6.922 1.00 15.00 H new ATOM 0 HH TYR A 438 7.439 -4.491 -5.362 1.00 15.00 H new ATOM 160 N LYS A 439 -0.926 -4.263 -8.250 1.00 15.00 N ATOM 161 CA LYS A 439 -2.216 -4.617 -8.817 1.00 15.00 C ATOM 162 C LYS A 439 -2.115 -5.939 -9.569 1.00 15.00 C ATOM 163 O LYS A 439 -1.339 -6.064 -10.516 1.00 15.00 O ATOM 164 CB LYS A 439 -2.703 -3.507 -9.758 1.00 15.00 C ATOM 165 CG LYS A 439 -4.078 -3.769 -10.358 1.00 15.00 C ATOM 166 CD LYS A 439 -5.154 -3.826 -9.284 1.00 15.00 C ATOM 167 CE LYS A 439 -5.397 -2.461 -8.654 1.00 15.00 C ATOM 168 NZ LYS A 439 -6.072 -1.524 -9.588 1.00 15.00 N ATOM 0 H LYS A 439 -0.245 -3.929 -8.932 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.936 -4.730 -8.007 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -2.729 -2.565 -9.210 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -1.981 -3.386 -10.566 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.319 -2.984 -11.074 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -4.062 -4.709 -10.909 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -6.082 -4.196 -9.719 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -4.859 -4.536 -8.511 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.006 -2.580 -7.758 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.445 -2.034 -8.338 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.369 -0.672 -9.071 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.414 -1.256 -10.347 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.907 -1.987 -10.001 1.00 15.00 H new ATOM 182 N THR A 440 -2.890 -6.924 -9.138 1.00 15.00 N ATOM 183 CA THR A 440 -2.911 -8.217 -9.800 1.00 15.00 C ATOM 184 C THR A 440 -3.979 -8.242 -10.887 1.00 15.00 C ATOM 185 O THR A 440 -4.993 -7.546 -10.784 1.00 15.00 O ATOM 186 CB THR A 440 -3.177 -9.361 -8.801 1.00 15.00 C ATOM 187 OG1 THR A 440 -4.411 -9.142 -8.106 1.00 15.00 O ATOM 188 CG2 THR A 440 -2.044 -9.478 -7.797 1.00 15.00 C ATOM 0 H THR A 440 -3.512 -6.851 -8.333 1.00 15.00 H new ATOM 0 HA THR A 440 -1.928 -8.368 -10.247 1.00 15.00 H new ATOM 0 HB THR A 440 -3.242 -10.290 -9.367 1.00 15.00 H new ATOM 0 HG1 THR A 440 -4.343 -8.326 -7.567 1.00 15.00 H new ATOM 0 HG21 THR A 440 -2.255 -10.292 -7.103 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.111 -9.682 -8.323 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.951 -8.544 -7.243 1.00 15.00 H new ATOM 196 N ALA A 441 -3.740 -9.030 -11.930 1.00 15.00 N ATOM 197 CA ALA A 441 -4.687 -9.186 -13.031 1.00 15.00 C ATOM 198 C ALA A 441 -6.043 -9.684 -12.539 1.00 15.00 C ATOM 199 O ALA A 441 -7.076 -9.379 -13.134 1.00 15.00 O ATOM 200 CB ALA A 441 -4.125 -10.133 -14.082 1.00 15.00 C ATOM 0 H ALA A 441 -2.886 -9.578 -12.037 1.00 15.00 H new ATOM 0 HA ALA A 441 -4.837 -8.205 -13.481 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -4.842 -10.240 -14.896 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -3.190 -9.730 -14.472 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -3.940 -11.108 -13.631 1.00 15.00 H new ATOM 206 N ASP A 442 -6.031 -10.453 -11.454 1.00 15.00 N ATOM 207 CA ASP A 442 -7.267 -10.984 -10.874 1.00 15.00 C ATOM 208 C ASP A 442 -8.049 -9.904 -10.121 1.00 15.00 C ATOM 209 O ASP A 442 -9.173 -10.141 -9.672 1.00 15.00 O ATOM 210 CB ASP A 442 -6.975 -12.163 -9.943 1.00 15.00 C ATOM 211 CG ASP A 442 -5.982 -11.825 -8.851 1.00 15.00 C ATOM 212 OD1 ASP A 442 -6.389 -11.273 -7.810 1.00 15.00 O ATOM 213 OD2 ASP A 442 -4.783 -12.111 -9.026 1.00 15.00 O ATOM 0 H ASP A 442 -5.182 -10.724 -10.957 1.00 15.00 H new ATOM 0 HA ASP A 442 -7.883 -11.334 -11.702 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -7.907 -12.498 -9.488 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -6.590 -12.996 -10.531 1.00 15.00 H new ATOM 218 N GLY A 443 -7.459 -8.723 -9.987 1.00 15.00 N ATOM 219 CA GLY A 443 -8.170 -7.599 -9.409 1.00 15.00 C ATOM 220 C GLY A 443 -8.023 -7.487 -7.901 1.00 15.00 C ATOM 221 O GLY A 443 -8.986 -7.166 -7.201 1.00 15.00 O ATOM 0 H GLY A 443 -6.499 -8.523 -10.269 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -7.810 -6.679 -9.869 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -9.228 -7.685 -9.656 1.00 15.00 H new ATOM 225 N LYS A 444 -6.830 -7.753 -7.394 1.00 15.00 N ATOM 226 CA LYS A 444 -6.537 -7.506 -5.989 1.00 15.00 C ATOM 227 C LYS A 444 -5.439 -6.463 -5.874 1.00 15.00 C ATOM 228 O LYS A 444 -4.540 -6.398 -6.715 1.00 15.00 O ATOM 229 CB LYS A 444 -6.116 -8.787 -5.263 1.00 15.00 C ATOM 230 CG LYS A 444 -7.206 -9.846 -5.207 1.00 15.00 C ATOM 231 CD LYS A 444 -6.937 -10.871 -4.112 1.00 15.00 C ATOM 232 CE LYS A 444 -5.592 -11.556 -4.278 1.00 15.00 C ATOM 233 NZ LYS A 444 -5.527 -12.376 -5.515 1.00 15.00 N ATOM 0 H LYS A 444 -6.052 -8.138 -7.930 1.00 15.00 H new ATOM 0 HA LYS A 444 -7.448 -7.141 -5.515 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -5.241 -9.205 -5.761 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -5.814 -8.535 -4.246 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -8.170 -9.368 -5.030 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -7.273 -10.351 -6.171 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -6.973 -10.379 -3.140 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -7.727 -11.622 -4.119 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.804 -10.804 -4.301 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.401 -12.191 -3.413 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -4.631 -12.904 -5.535 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -6.323 -13.045 -5.530 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -5.581 -11.754 -6.347 1.00 15.00 H new ATOM 247 N THR A 445 -5.513 -5.650 -4.836 1.00 15.00 N ATOM 248 CA THR A 445 -4.533 -4.599 -4.630 1.00 15.00 C ATOM 249 C THR A 445 -3.916 -4.709 -3.244 1.00 15.00 C ATOM 250 O THR A 445 -4.605 -4.528 -2.242 1.00 15.00 O ATOM 251 CB THR A 445 -5.182 -3.210 -4.772 1.00 15.00 C ATOM 252 OG1 THR A 445 -6.175 -3.249 -5.803 1.00 15.00 O ATOM 253 CG2 THR A 445 -4.137 -2.154 -5.112 1.00 15.00 C ATOM 0 H THR A 445 -6.241 -5.697 -4.123 1.00 15.00 H new ATOM 0 HA THR A 445 -3.759 -4.718 -5.388 1.00 15.00 H new ATOM 0 HB THR A 445 -5.644 -2.946 -3.821 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.666 -2.401 -5.817 1.00 15.00 H new ATOM 0 HG21 THR A 445 -4.620 -1.182 -5.207 1.00 15.00 H new ATOM 0 HG22 THR A 445 -3.390 -2.112 -4.319 1.00 15.00 H new ATOM 0 HG23 THR A 445 -3.652 -2.412 -6.054 1.00 15.00 H new ATOM 261 N TYR A 446 -2.633 -5.022 -3.179 1.00 15.00 N ATOM 262 CA TYR A 446 -1.954 -5.060 -1.898 1.00 15.00 C ATOM 263 C TYR A 446 -0.853 -4.006 -1.855 1.00 15.00 C ATOM 264 O TYR A 446 0.023 -3.956 -2.722 1.00 15.00 O ATOM 265 CB TYR A 446 -1.425 -6.470 -1.572 1.00 15.00 C ATOM 266 CG TYR A 446 -0.367 -7.026 -2.507 1.00 15.00 C ATOM 267 CD1 TYR A 446 -0.709 -7.617 -3.720 1.00 15.00 C ATOM 268 CD2 TYR A 446 0.978 -6.993 -2.152 1.00 15.00 C ATOM 269 CE1 TYR A 446 0.260 -8.156 -4.550 1.00 15.00 C ATOM 270 CE2 TYR A 446 1.947 -7.522 -2.979 1.00 15.00 C ATOM 271 CZ TYR A 446 1.586 -8.103 -4.173 1.00 15.00 C ATOM 272 OH TYR A 446 2.556 -8.638 -4.991 1.00 15.00 O ATOM 0 H TYR A 446 -2.050 -5.250 -3.984 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.677 -4.821 -1.119 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -1.015 -6.456 -0.562 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -2.270 -7.159 -1.564 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -1.746 -7.656 -4.019 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.268 -6.546 -1.213 1.00 15.00 H new ATOM 0 HE1 TYR A 446 -0.021 -8.615 -5.486 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.987 -7.480 -2.690 1.00 15.00 H new ATOM 0 HH TYR A 446 3.436 -8.516 -4.578 1.00 15.00 H new ATOM 282 N TYR A 447 -0.936 -3.150 -0.848 1.00 15.00 N ATOM 283 CA TYR A 447 0.000 -2.056 -0.665 1.00 15.00 C ATOM 284 C TYR A 447 1.120 -2.495 0.256 1.00 15.00 C ATOM 285 O TYR A 447 0.893 -2.798 1.427 1.00 15.00 O ATOM 286 CB TYR A 447 -0.725 -0.842 -0.073 1.00 15.00 C ATOM 287 CG TYR A 447 -1.905 -0.377 -0.902 1.00 15.00 C ATOM 288 CD1 TYR A 447 -1.743 0.567 -1.908 1.00 15.00 C ATOM 289 CD2 TYR A 447 -3.178 -0.893 -0.686 1.00 15.00 C ATOM 290 CE1 TYR A 447 -2.815 0.988 -2.671 1.00 15.00 C ATOM 291 CE2 TYR A 447 -4.254 -0.477 -1.447 1.00 15.00 C ATOM 292 CZ TYR A 447 -4.066 0.463 -2.439 1.00 15.00 C ATOM 293 OH TYR A 447 -5.135 0.882 -3.199 1.00 15.00 O ATOM 0 H TYR A 447 -1.660 -3.197 -0.131 1.00 15.00 H new ATOM 0 HA TYR A 447 0.421 -1.776 -1.631 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.072 -1.090 0.930 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.016 -0.020 0.029 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -0.763 0.979 -2.097 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -3.328 -1.630 0.089 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -2.672 1.726 -3.446 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -5.237 -0.886 -1.266 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.946 0.414 -2.909 1.00 15.00 H new ATOM 303 N TYR A 448 2.320 -2.554 -0.278 1.00 15.00 N ATOM 304 CA TYR A 448 3.460 -2.997 0.495 1.00 15.00 C ATOM 305 C TYR A 448 4.140 -1.806 1.151 1.00 15.00 C ATOM 306 O TYR A 448 4.467 -0.820 0.486 1.00 15.00 O ATOM 307 CB TYR A 448 4.450 -3.752 -0.395 1.00 15.00 C ATOM 308 CG TYR A 448 5.469 -4.562 0.378 1.00 15.00 C ATOM 309 CD1 TYR A 448 5.144 -5.813 0.884 1.00 15.00 C ATOM 310 CD2 TYR A 448 6.753 -4.081 0.594 1.00 15.00 C ATOM 311 CE1 TYR A 448 6.069 -6.561 1.587 1.00 15.00 C ATOM 312 CE2 TYR A 448 7.683 -4.822 1.296 1.00 15.00 C ATOM 313 CZ TYR A 448 7.337 -6.062 1.788 1.00 15.00 C ATOM 314 OH TYR A 448 8.265 -6.806 2.483 1.00 15.00 O ATOM 0 H TYR A 448 2.532 -2.301 -1.243 1.00 15.00 H new ATOM 0 HA TYR A 448 3.112 -3.675 1.274 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.896 -4.418 -1.056 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.973 -3.036 -1.029 1.00 15.00 H new ATOM 0 HD1 TYR A 448 4.152 -6.208 0.726 1.00 15.00 H new ATOM 0 HD2 TYR A 448 7.029 -3.111 0.207 1.00 15.00 H new ATOM 0 HE1 TYR A 448 5.799 -7.531 1.977 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.677 -4.432 1.459 1.00 15.00 H new ATOM 0 HH TYR A 448 9.099 -6.850 1.970 1.00 15.00 H new ATOM 324 N ASN A 449 4.346 -1.909 2.451 1.00 15.00 N ATOM 325 CA ASN A 449 5.075 -0.898 3.192 1.00 15.00 C ATOM 326 C ASN A 449 6.549 -1.264 3.188 1.00 15.00 C ATOM 327 O ASN A 449 6.964 -2.201 3.864 1.00 15.00 O ATOM 328 CB ASN A 449 4.555 -0.803 4.637 1.00 15.00 C ATOM 329 CG ASN A 449 5.208 0.308 5.453 1.00 15.00 C ATOM 330 OD1 ASN A 449 6.361 0.672 5.232 1.00 15.00 O ATOM 331 ND2 ASN A 449 4.481 0.839 6.422 1.00 15.00 N ATOM 0 H ASN A 449 4.016 -2.689 3.019 1.00 15.00 H new ATOM 0 HA ASN A 449 4.931 0.074 2.720 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.477 -0.640 4.616 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.724 -1.756 5.138 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.875 1.573 7.011 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.527 0.515 6.580 1.00 15.00 H new ATOM 338 N ASN A 450 7.323 -0.535 2.397 1.00 15.00 N ATOM 339 CA ASN A 450 8.745 -0.826 2.207 1.00 15.00 C ATOM 340 C ASN A 450 9.557 -0.420 3.429 1.00 15.00 C ATOM 341 O ASN A 450 10.723 -0.792 3.569 1.00 15.00 O ATOM 342 CB ASN A 450 9.285 -0.094 0.972 1.00 15.00 C ATOM 343 CG ASN A 450 8.580 -0.497 -0.311 1.00 15.00 C ATOM 344 OD1 ASN A 450 8.167 -1.640 -0.475 1.00 15.00 O ATOM 345 ND2 ASN A 450 8.423 0.448 -1.224 1.00 15.00 N ATOM 0 H ASN A 450 6.990 0.272 1.869 1.00 15.00 H new ATOM 0 HA ASN A 450 8.843 -1.902 2.062 1.00 15.00 H new ATOM 0 HB2 ASN A 450 9.177 0.981 1.117 1.00 15.00 H new ATOM 0 HB3 ASN A 450 10.351 -0.297 0.873 1.00 15.00 H new ATOM 0 HD21 ASN A 450 7.945 0.237 -2.100 1.00 15.00 H new ATOM 0 HD22 ASN A 450 8.780 1.388 -1.052 1.00 15.00 H new ATOM 352 N ARG A 451 8.940 0.349 4.309 1.00 15.00 N ATOM 353 CA ARG A 451 9.625 0.872 5.479 1.00 15.00 C ATOM 354 C ARG A 451 9.507 -0.091 6.660 1.00 15.00 C ATOM 355 O ARG A 451 10.274 -0.009 7.616 1.00 15.00 O ATOM 356 CB ARG A 451 9.054 2.244 5.849 1.00 15.00 C ATOM 357 CG ARG A 451 9.836 2.979 6.928 1.00 15.00 C ATOM 358 CD ARG A 451 11.243 3.321 6.465 1.00 15.00 C ATOM 359 NE ARG A 451 11.242 4.186 5.282 1.00 15.00 N ATOM 360 CZ ARG A 451 12.319 4.825 4.832 1.00 15.00 C ATOM 361 NH1 ARG A 451 13.465 4.738 5.495 1.00 15.00 N ATOM 362 NH2 ARG A 451 12.245 5.561 3.729 1.00 15.00 N ATOM 0 H ARG A 451 7.961 0.626 4.235 1.00 15.00 H new ATOM 0 HA ARG A 451 10.683 0.980 5.239 1.00 15.00 H new ATOM 0 HB2 ARG A 451 9.022 2.865 4.953 1.00 15.00 H new ATOM 0 HB3 ARG A 451 8.025 2.117 6.185 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.310 3.894 7.200 1.00 15.00 H new ATOM 0 HG3 ARG A 451 9.887 2.362 7.825 1.00 15.00 H new ATOM 0 HD2 ARG A 451 11.780 3.816 7.274 1.00 15.00 H new ATOM 0 HD3 ARG A 451 11.783 2.401 6.240 1.00 15.00 H new ATOM 0 HE ARG A 451 10.365 4.305 4.774 1.00 15.00 H new ATOM 0 HH11 ARG A 451 13.520 4.182 6.348 1.00 15.00 H new ATOM 0 HH12 ARG A 451 14.291 5.227 5.151 1.00 15.00 H new ATOM 0 HH21 ARG A 451 11.361 5.637 3.225 1.00 15.00 H new ATOM 0 HH22 ARG A 451 13.072 6.050 3.386 1.00 15.00 H new ATOM 376 N THR A 452 8.536 -1.000 6.600 1.00 15.00 N ATOM 377 CA THR A 452 8.302 -1.916 7.710 1.00 15.00 C ATOM 378 C THR A 452 8.076 -3.354 7.222 1.00 15.00 C ATOM 379 O THR A 452 7.955 -4.280 8.027 1.00 15.00 O ATOM 380 CB THR A 452 7.092 -1.450 8.548 1.00 15.00 C ATOM 381 OG1 THR A 452 7.074 -0.015 8.610 1.00 15.00 O ATOM 382 CG2 THR A 452 7.155 -2.011 9.961 1.00 15.00 C ATOM 0 H THR A 452 7.907 -1.120 5.806 1.00 15.00 H new ATOM 0 HA THR A 452 9.197 -1.908 8.333 1.00 15.00 H new ATOM 0 HB THR A 452 6.184 -1.817 8.069 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.305 0.280 9.141 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.290 -1.666 10.528 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.152 -3.100 9.920 1.00 15.00 H new ATOM 0 HG23 THR A 452 8.068 -1.669 10.448 1.00 15.00 H new ATOM 390 N LEU A 453 8.033 -3.528 5.896 1.00 15.00 N ATOM 391 CA LEU A 453 7.867 -4.845 5.266 1.00 15.00 C ATOM 392 C LEU A 453 6.464 -5.408 5.512 1.00 15.00 C ATOM 393 O LEU A 453 6.265 -6.620 5.507 1.00 15.00 O ATOM 394 CB LEU A 453 8.930 -5.830 5.779 1.00 15.00 C ATOM 395 CG LEU A 453 10.383 -5.398 5.562 1.00 15.00 C ATOM 396 CD1 LEU A 453 11.335 -6.441 6.124 1.00 15.00 C ATOM 397 CD2 LEU A 453 10.663 -5.163 4.086 1.00 15.00 C ATOM 0 H LEU A 453 8.112 -2.761 5.229 1.00 15.00 H new ATOM 0 HA LEU A 453 7.997 -4.715 4.192 1.00 15.00 H new ATOM 0 HB2 LEU A 453 8.771 -5.987 6.846 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.777 -6.791 5.289 1.00 15.00 H new ATOM 0 HG LEU A 453 10.543 -4.459 6.092 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.364 -6.119 5.962 1.00 15.00 H new ATOM 0 HD12 LEU A 453 11.156 -6.559 7.193 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.169 -7.394 5.621 1.00 15.00 H new ATOM 0 HD21 LEU A 453 11.701 -4.857 3.957 1.00 15.00 H new ATOM 0 HD22 LEU A 453 10.484 -6.084 3.531 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.005 -4.379 3.711 1.00 15.00 H new ATOM 409 N GLU A 454 5.484 -4.522 5.653 1.00 15.00 N ATOM 410 CA GLU A 454 4.120 -4.938 5.976 1.00 15.00 C ATOM 411 C GLU A 454 3.192 -4.789 4.772 1.00 15.00 C ATOM 412 O GLU A 454 3.105 -3.717 4.177 1.00 15.00 O ATOM 413 CB GLU A 454 3.577 -4.111 7.142 1.00 15.00 C ATOM 414 CG GLU A 454 4.414 -4.203 8.406 1.00 15.00 C ATOM 415 CD GLU A 454 3.852 -3.366 9.533 1.00 15.00 C ATOM 416 OE1 GLU A 454 3.687 -2.145 9.343 1.00 15.00 O ATOM 417 OE2 GLU A 454 3.566 -3.924 10.610 1.00 15.00 O ATOM 0 H GLU A 454 5.606 -3.515 5.550 1.00 15.00 H new ATOM 0 HA GLU A 454 4.154 -5.991 6.257 1.00 15.00 H new ATOM 0 HB2 GLU A 454 3.514 -3.067 6.835 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.562 -4.440 7.366 1.00 15.00 H new ATOM 0 HG2 GLU A 454 4.472 -5.244 8.725 1.00 15.00 H new ATOM 0 HG3 GLU A 454 5.432 -3.878 8.189 1.00 15.00 H new ATOM 424 N SER A 455 2.491 -5.859 4.426 1.00 15.00 N ATOM 425 CA SER A 455 1.521 -5.826 3.337 1.00 15.00 C ATOM 426 C SER A 455 0.137 -5.443 3.861 1.00 15.00 C ATOM 427 O SER A 455 -0.395 -6.096 4.760 1.00 15.00 O ATOM 428 CB SER A 455 1.452 -7.197 2.655 1.00 15.00 C ATOM 429 OG SER A 455 2.736 -7.642 2.253 1.00 15.00 O ATOM 0 H SER A 455 2.575 -6.766 4.885 1.00 15.00 H new ATOM 0 HA SER A 455 1.842 -5.077 2.613 1.00 15.00 H new ATOM 0 HB2 SER A 455 1.012 -7.923 3.339 1.00 15.00 H new ATOM 0 HB3 SER A 455 0.797 -7.140 1.786 1.00 15.00 H new ATOM 0 HG SER A 455 3.377 -6.905 2.331 1.00 15.00 H new ATOM 435 N TYR A 456 -0.437 -4.381 3.312 1.00 15.00 N ATOM 436 CA TYR A 456 -1.786 -3.960 3.680 1.00 15.00 C ATOM 437 C TYR A 456 -2.739 -4.174 2.508 1.00 15.00 C ATOM 438 O TYR A 456 -2.477 -3.705 1.405 1.00 15.00 O ATOM 439 CB TYR A 456 -1.810 -2.478 4.060 1.00 15.00 C ATOM 440 CG TYR A 456 -0.879 -2.090 5.186 1.00 15.00 C ATOM 441 CD1 TYR A 456 -1.188 -2.382 6.510 1.00 15.00 C ATOM 442 CD2 TYR A 456 0.297 -1.403 4.924 1.00 15.00 C ATOM 443 CE1 TYR A 456 -0.347 -1.995 7.539 1.00 15.00 C ATOM 444 CE2 TYR A 456 1.142 -1.021 5.945 1.00 15.00 C ATOM 445 CZ TYR A 456 0.817 -1.316 7.247 1.00 15.00 C ATOM 446 OH TYR A 456 1.650 -0.906 8.261 1.00 15.00 O ATOM 0 H TYR A 456 0.010 -3.793 2.609 1.00 15.00 H new ATOM 0 HA TYR A 456 -2.100 -4.558 4.535 1.00 15.00 H new ATOM 0 HB2 TYR A 456 -1.555 -1.889 3.179 1.00 15.00 H new ATOM 0 HB3 TYR A 456 -2.828 -2.207 4.341 1.00 15.00 H new ATOM 0 HD1 TYR A 456 -2.097 -2.918 6.739 1.00 15.00 H new ATOM 0 HD2 TYR A 456 0.555 -1.163 3.903 1.00 15.00 H new ATOM 0 HE1 TYR A 456 -0.601 -2.223 8.564 1.00 15.00 H new ATOM 0 HE2 TYR A 456 2.056 -0.492 5.722 1.00 15.00 H new ATOM 0 HH TYR A 456 2.245 -1.642 8.513 1.00 15.00 H new ATOM 456 N TRP A 457 -3.852 -4.851 2.742 1.00 15.00 N ATOM 457 CA TRP A 457 -4.828 -5.082 1.680 1.00 15.00 C ATOM 458 C TRP A 457 -5.814 -3.922 1.596 1.00 15.00 C ATOM 459 O TRP A 457 -6.716 -3.907 0.755 1.00 15.00 O ATOM 460 CB TRP A 457 -5.558 -6.409 1.900 1.00 15.00 C ATOM 461 CG TRP A 457 -4.643 -7.588 1.795 1.00 15.00 C ATOM 462 CD1 TRP A 457 -3.937 -8.171 2.807 1.00 15.00 C ATOM 463 CD2 TRP A 457 -4.318 -8.315 0.606 1.00 15.00 C ATOM 464 NE1 TRP A 457 -3.193 -9.215 2.322 1.00 15.00 N ATOM 465 CE2 TRP A 457 -3.410 -9.326 0.972 1.00 15.00 C ATOM 466 CE3 TRP A 457 -4.708 -8.209 -0.733 1.00 15.00 C ATOM 467 CZ2 TRP A 457 -2.885 -10.223 0.046 1.00 15.00 C ATOM 468 CZ3 TRP A 457 -4.187 -9.102 -1.650 1.00 15.00 C ATOM 469 CH2 TRP A 457 -3.285 -10.098 -1.256 1.00 15.00 C ATOM 0 H TRP A 457 -4.104 -5.248 3.647 1.00 15.00 H new ATOM 0 HA TRP A 457 -4.297 -5.142 0.730 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -6.027 -6.403 2.884 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -6.358 -6.507 1.166 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -3.961 -7.856 3.840 1.00 15.00 H new ATOM 0 HE1 TRP A 457 -2.578 -9.812 2.875 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -5.403 -7.444 -1.044 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 -2.187 -10.991 0.345 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -4.480 -9.031 -2.687 1.00 15.00 H new ATOM 0 HH2 TRP A 457 -2.897 -10.782 -1.996 1.00 15.00 H new ATOM 480 N GLU A 458 -5.631 -2.954 2.482 1.00 15.00 N ATOM 481 CA GLU A 458 -6.395 -1.720 2.454 1.00 15.00 C ATOM 482 C GLU A 458 -5.444 -0.540 2.512 1.00 15.00 C ATOM 483 O GLU A 458 -4.506 -0.526 3.311 1.00 15.00 O ATOM 484 CB GLU A 458 -7.389 -1.668 3.612 1.00 15.00 C ATOM 485 CG GLU A 458 -8.456 -2.747 3.539 1.00 15.00 C ATOM 486 CD GLU A 458 -9.674 -2.419 4.372 1.00 15.00 C ATOM 487 OE1 GLU A 458 -10.520 -1.624 3.899 1.00 15.00 O ATOM 488 OE2 GLU A 458 -9.802 -2.956 5.488 1.00 15.00 O ATOM 0 H GLU A 458 -4.949 -3.004 3.239 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.966 -1.677 1.527 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -6.846 -1.767 4.552 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -7.871 -0.691 3.624 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -8.757 -2.885 2.501 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -8.034 -3.693 3.877 1.00 15.00 H new ATOM 495 N LYS A 459 -5.692 0.443 1.661 1.00 15.00 N ATOM 496 CA LYS A 459 -4.800 1.578 1.521 1.00 15.00 C ATOM 497 C LYS A 459 -4.790 2.438 2.777 1.00 15.00 C ATOM 498 O LYS A 459 -5.843 2.861 3.261 1.00 15.00 O ATOM 499 CB LYS A 459 -5.222 2.443 0.335 1.00 15.00 C ATOM 500 CG LYS A 459 -4.189 3.494 -0.037 1.00 15.00 C ATOM 501 CD LYS A 459 -4.772 4.575 -0.934 1.00 15.00 C ATOM 502 CE LYS A 459 -5.452 3.989 -2.162 1.00 15.00 C ATOM 503 NZ LYS A 459 -6.067 5.045 -3.000 1.00 15.00 N ATOM 0 H LYS A 459 -6.511 0.475 1.054 1.00 15.00 H new ATOM 0 HA LYS A 459 -3.798 1.183 1.357 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -5.405 1.802 -0.527 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -6.165 2.937 0.571 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -3.794 3.950 0.870 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -3.351 3.015 -0.544 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -5.492 5.167 -0.368 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -3.978 5.253 -1.248 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -4.723 3.434 -2.752 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.218 3.279 -1.851 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -7.088 4.867 -3.089 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -5.915 5.973 -2.556 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -5.630 5.037 -3.944 1.00 15.00 H new ATOM 517 N PRO A 460 -3.593 2.719 3.309 1.00 15.00 N ATOM 518 CA PRO A 460 -3.421 3.700 4.378 1.00 15.00 C ATOM 519 C PRO A 460 -3.902 5.072 3.920 1.00 15.00 C ATOM 520 O PRO A 460 -3.556 5.523 2.823 1.00 15.00 O ATOM 521 CB PRO A 460 -1.905 3.713 4.622 1.00 15.00 C ATOM 522 CG PRO A 460 -1.309 3.100 3.399 1.00 15.00 C ATOM 523 CD PRO A 460 -2.316 2.107 2.911 1.00 15.00 C ATOM 0 HA PRO A 460 -3.990 3.456 5.275 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.539 4.729 4.772 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -1.645 3.145 5.515 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.106 3.857 2.641 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.360 2.615 3.627 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -2.254 1.964 1.832 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -2.175 1.129 3.370 1.00 15.00 H new ATOM 531 N GLN A 461 -4.679 5.747 4.757 1.00 15.00 N ATOM 532 CA GLN A 461 -5.282 7.017 4.370 1.00 15.00 C ATOM 533 C GLN A 461 -4.217 8.112 4.260 1.00 15.00 C ATOM 534 O GLN A 461 -4.500 9.239 3.856 1.00 15.00 O ATOM 535 CB GLN A 461 -6.377 7.415 5.362 1.00 15.00 C ATOM 536 CG GLN A 461 -7.340 8.459 4.820 1.00 15.00 C ATOM 537 CD GLN A 461 -7.975 8.038 3.504 1.00 15.00 C ATOM 538 OE1 GLN A 461 -7.460 8.337 2.427 1.00 15.00 O ATOM 539 NE2 GLN A 461 -9.095 7.342 3.580 1.00 15.00 N ATOM 0 H GLN A 461 -4.906 5.439 5.703 1.00 15.00 H new ATOM 0 HA GLN A 461 -5.741 6.896 3.389 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.940 6.526 5.645 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.911 7.799 6.270 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -8.123 8.643 5.555 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -6.809 9.400 4.679 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -9.492 7.113 4.491 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -9.563 7.034 2.728 1.00 15.00 H new ATOM 548 N GLU A 462 -2.988 7.760 4.623 1.00 15.00 N ATOM 549 CA GLU A 462 -1.844 8.640 4.432 1.00 15.00 C ATOM 550 C GLU A 462 -1.587 8.842 2.942 1.00 15.00 C ATOM 551 O GLU A 462 -1.034 9.858 2.517 1.00 15.00 O ATOM 552 CB GLU A 462 -0.591 8.037 5.073 1.00 15.00 C ATOM 553 CG GLU A 462 -0.769 7.626 6.523 1.00 15.00 C ATOM 554 CD GLU A 462 -0.942 8.809 7.449 1.00 15.00 C ATOM 555 OE1 GLU A 462 0.079 9.319 7.958 1.00 15.00 O ATOM 556 OE2 GLU A 462 -2.092 9.233 7.675 1.00 15.00 O ATOM 0 H GLU A 462 -2.759 6.864 5.054 1.00 15.00 H new ATOM 0 HA GLU A 462 -2.066 9.597 4.904 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -0.285 7.165 4.495 1.00 15.00 H new ATOM 0 HB3 GLU A 462 0.220 8.762 5.010 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.638 6.974 6.607 1.00 15.00 H new ATOM 0 HG3 GLU A 462 0.097 7.045 6.840 1.00 15.00 H new ATOM 563 N LEU A 463 -1.981 7.848 2.157 1.00 15.00 N ATOM 564 CA LEU A 463 -1.717 7.847 0.728 1.00 15.00 C ATOM 565 C LEU A 463 -2.880 8.463 -0.041 1.00 15.00 C ATOM 566 O LEU A 463 -2.679 9.040 -1.105 1.00 15.00 O ATOM 567 CB LEU A 463 -1.452 6.418 0.245 1.00 15.00 C ATOM 568 CG LEU A 463 -1.002 6.280 -1.209 1.00 15.00 C ATOM 569 CD1 LEU A 463 0.294 7.039 -1.444 1.00 15.00 C ATOM 570 CD2 LEU A 463 -0.830 4.812 -1.563 1.00 15.00 C ATOM 0 H LEU A 463 -2.488 7.028 2.491 1.00 15.00 H new ATOM 0 HA LEU A 463 -0.831 8.454 0.540 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.690 5.974 0.885 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.362 5.834 0.381 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.769 6.710 -1.853 1.00 15.00 H new ATOM 0 HD11 LEU A 463 0.597 6.928 -2.485 1.00 15.00 H new ATOM 0 HD12 LEU A 463 0.143 8.095 -1.221 1.00 15.00 H new ATOM 0 HD13 LEU A 463 1.073 6.639 -0.795 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.509 4.723 -2.601 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -0.078 4.366 -0.911 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.779 4.292 -1.431 1.00 15.00 H new ATOM 582 N LYS A 464 -4.085 8.322 0.507 1.00 15.00 N ATOM 583 CA LYS A 464 -5.302 8.869 -0.097 1.00 15.00 C ATOM 584 C LYS A 464 -5.570 8.257 -1.477 1.00 15.00 C ATOM 585 O LYS A 464 -6.338 7.273 -1.552 1.00 15.00 O ATOM 586 CB LYS A 464 -5.221 10.400 -0.196 1.00 15.00 C ATOM 587 CG LYS A 464 -6.479 11.037 -0.762 1.00 15.00 C ATOM 588 CD LYS A 464 -6.332 12.541 -0.911 1.00 15.00 C ATOM 589 CE LYS A 464 -7.558 13.149 -1.572 1.00 15.00 C ATOM 590 NZ LYS A 464 -7.417 14.615 -1.768 1.00 15.00 N ATOM 591 OXT LYS A 464 -5.022 8.763 -2.481 1.00 15.00 O ATOM 0 H LYS A 464 -4.247 7.825 1.383 1.00 15.00 H new ATOM 0 HA LYS A 464 -6.136 8.605 0.553 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -5.029 10.811 0.795 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -4.372 10.671 -0.823 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -6.704 10.596 -1.733 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -7.323 10.817 -0.108 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -6.182 12.993 0.069 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -5.446 12.766 -1.505 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -7.725 12.669 -2.536 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -8.437 12.948 -0.959 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -8.275 14.989 -2.221 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -7.283 15.077 -0.846 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -6.594 14.807 -2.374 1.00 15.00 H new TER 605 LYS A 464