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 452 THR OG1 : rot 153:sc= -1.57! USER MOD Set 1.2: A 454 TYR OH : rot 180:sc= 0.157 USER MOD Set 2.1: A 436 THR OG1 : rot 180:sc= 0.0993 USER MOD Set 2.2: A 450 ASN : amide:sc= 0.44 K(o=0.54,f=2.3) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -43:sc= 0.305 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 173:sc=-0.00636 (180deg=-0.102) USER MOD Single : A 440 THR OG1 : rot 152:sc= -0.286! USER MOD Single : A 444 LYS NZ :NH3+ 168:sc= 0.919 (180deg=0.506) USER MOD Single : A 445 THR OG1 : rot 180:sc=-0.00493 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 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -5.96! C(o=-6!,f=-24!) USER MOD Single : A 455 SER OG : rot 45:sc= 0.0149 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 459 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.23) USER MOD Single : A 461 GLN : amide:sc= -4.11! K(o=-4.1!,f=-0.4) USER MOD Single : A 464 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -2.573 6.004 8.360 1.00 15.00 N ATOM 2 CA GLY A 428 -3.588 6.232 7.302 1.00 15.00 C ATOM 3 C GLY A 428 -4.616 5.124 7.258 1.00 15.00 C ATOM 4 O GLY A 428 -4.674 4.305 8.171 1.00 15.00 O ATOM 0 HA2 GLY A 428 -4.088 7.184 7.478 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -3.093 6.306 6.334 1.00 15.00 H new ATOM 10 N ALA A 429 -5.408 5.098 6.183 1.00 15.00 N ATOM 11 CA ALA A 429 -6.474 4.111 5.997 1.00 15.00 C ATOM 12 C ALA A 429 -7.562 4.248 7.061 1.00 15.00 C ATOM 13 O ALA A 429 -7.446 3.723 8.165 1.00 15.00 O ATOM 14 CB ALA A 429 -5.917 2.693 5.978 1.00 15.00 C ATOM 0 H ALA A 429 -5.327 5.764 5.414 1.00 15.00 H new ATOM 0 HA ALA A 429 -6.930 4.311 5.027 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -6.733 1.984 5.838 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -5.205 2.593 5.159 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -5.414 2.487 6.923 1.00 15.00 H new ATOM 20 N THR A 430 -8.614 4.975 6.723 1.00 15.00 N ATOM 21 CA THR A 430 -9.736 5.154 7.629 1.00 15.00 C ATOM 22 C THR A 430 -11.048 4.797 6.935 1.00 15.00 C ATOM 23 O THR A 430 -11.818 3.968 7.423 1.00 15.00 O ATOM 24 CB THR A 430 -9.787 6.602 8.149 1.00 15.00 C ATOM 25 OG1 THR A 430 -8.527 6.935 8.744 1.00 15.00 O ATOM 26 CG2 THR A 430 -10.898 6.786 9.173 1.00 15.00 C ATOM 0 H THR A 430 -8.714 5.451 5.827 1.00 15.00 H new ATOM 0 HA THR A 430 -9.598 4.485 8.478 1.00 15.00 H new ATOM 0 HB THR A 430 -9.992 7.262 7.306 1.00 15.00 H new ATOM 0 HG1 THR A 430 -8.555 7.857 9.075 1.00 15.00 H new ATOM 0 HG21 THR A 430 -10.906 7.819 9.519 1.00 15.00 H new ATOM 0 HG22 THR A 430 -11.858 6.550 8.715 1.00 15.00 H new ATOM 0 HG23 THR A 430 -10.727 6.121 10.019 1.00 15.00 H new ATOM 34 N ALA A 431 -11.290 5.416 5.791 1.00 15.00 N ATOM 35 CA ALA A 431 -12.466 5.115 4.993 1.00 15.00 C ATOM 36 C ALA A 431 -12.076 4.324 3.751 1.00 15.00 C ATOM 37 O ALA A 431 -12.839 3.487 3.271 1.00 15.00 O ATOM 38 CB ALA A 431 -13.188 6.395 4.604 1.00 15.00 C ATOM 0 H ALA A 431 -10.684 6.133 5.393 1.00 15.00 H new ATOM 0 HA ALA A 431 -13.144 4.507 5.592 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -14.066 6.150 4.007 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -13.498 6.926 5.504 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -12.518 7.028 4.022 1.00 15.00 H new ATOM 44 N VAL A 432 -10.882 4.596 3.234 1.00 15.00 N ATOM 45 CA VAL A 432 -10.381 3.893 2.061 1.00 15.00 C ATOM 46 C VAL A 432 -9.946 2.473 2.421 1.00 15.00 C ATOM 47 O VAL A 432 -9.330 2.242 3.462 1.00 15.00 O ATOM 48 CB VAL A 432 -9.205 4.650 1.395 1.00 15.00 C ATOM 49 CG1 VAL A 432 -9.674 5.990 0.848 1.00 15.00 C ATOM 50 CG2 VAL A 432 -8.055 4.850 2.373 1.00 15.00 C ATOM 0 H VAL A 432 -10.245 5.298 3.610 1.00 15.00 H new ATOM 0 HA VAL A 432 -11.201 3.844 1.345 1.00 15.00 H new ATOM 0 HB VAL A 432 -8.842 4.042 0.567 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -8.834 6.508 0.384 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -10.455 5.827 0.105 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -10.069 6.597 1.662 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -7.244 5.384 1.877 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -8.402 5.430 3.228 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -7.695 3.880 2.714 1.00 15.00 H new ATOM 60 N SER A 433 -10.289 1.526 1.563 1.00 15.00 N ATOM 61 CA SER A 433 -9.964 0.125 1.796 1.00 15.00 C ATOM 62 C SER A 433 -9.464 -0.518 0.501 1.00 15.00 C ATOM 63 O SER A 433 -9.281 -1.733 0.419 1.00 15.00 O ATOM 64 CB SER A 433 -11.204 -0.610 2.320 1.00 15.00 C ATOM 65 OG SER A 433 -10.880 -1.908 2.794 1.00 15.00 O ATOM 0 H SER A 433 -10.795 1.702 0.695 1.00 15.00 H new ATOM 0 HA SER A 433 -9.173 0.055 2.542 1.00 15.00 H new ATOM 0 HB2 SER A 433 -11.658 -0.031 3.124 1.00 15.00 H new ATOM 0 HB3 SER A 433 -11.945 -0.687 1.525 1.00 15.00 H new ATOM 0 HG SER A 433 -10.261 -2.339 2.169 1.00 15.00 H new ATOM 71 N GLU A 434 -9.220 0.323 -0.497 1.00 15.00 N ATOM 72 CA GLU A 434 -8.780 -0.133 -1.811 1.00 15.00 C ATOM 73 C GLU A 434 -7.313 -0.526 -1.819 1.00 15.00 C ATOM 74 O GLU A 434 -6.881 -1.327 -2.646 1.00 15.00 O ATOM 75 CB GLU A 434 -8.996 0.968 -2.832 1.00 15.00 C ATOM 76 CG GLU A 434 -8.386 2.293 -2.417 1.00 15.00 C ATOM 77 CD GLU A 434 -8.750 3.416 -3.353 1.00 15.00 C ATOM 78 OE1 GLU A 434 -8.042 3.606 -4.358 1.00 15.00 O ATOM 79 OE2 GLU A 434 -9.753 4.111 -3.085 1.00 15.00 O ATOM 0 H GLU A 434 -9.321 1.335 -0.420 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.370 -1.014 -2.062 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -8.567 0.660 -3.786 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -10.066 1.102 -2.992 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.719 2.542 -1.409 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.301 2.194 -2.379 1.00 15.00 H new ATOM 86 N TRP A 435 -6.554 0.041 -0.902 1.00 15.00 N ATOM 87 CA TRP A 435 -5.119 -0.149 -0.891 1.00 15.00 C ATOM 88 C TRP A 435 -4.773 -1.356 -0.059 1.00 15.00 C ATOM 89 O TRP A 435 -5.364 -1.579 0.998 1.00 15.00 O ATOM 90 CB TRP A 435 -4.427 1.084 -0.316 1.00 15.00 C ATOM 91 CG TRP A 435 -4.256 2.195 -1.303 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.177 3.135 -1.661 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.074 2.479 -2.054 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.638 3.985 -2.599 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.344 3.605 -2.852 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.811 1.887 -2.126 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -2.391 4.150 -3.713 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -0.871 2.426 -2.977 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.161 3.548 -3.760 1.00 15.00 C ATOM 0 H TRP A 435 -6.909 0.638 -0.154 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.777 -0.302 -1.914 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -5.004 1.450 0.533 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -3.448 0.795 0.065 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -6.180 3.202 -1.267 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.122 4.770 -3.035 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.575 1.021 -1.525 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.615 5.015 -4.320 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.108 1.974 -3.041 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.401 3.948 -4.414 1.00 15.00 H new ATOM 110 N THR A 436 -3.803 -2.129 -0.512 1.00 15.00 N ATOM 111 CA THR A 436 -3.460 -3.308 0.193 1.00 15.00 C ATOM 112 C THR A 436 -2.010 -3.197 0.633 1.00 15.00 C ATOM 113 O THR A 436 -1.184 -2.664 -0.098 1.00 15.00 O ATOM 114 CB THR A 436 -3.715 -4.615 -0.607 1.00 15.00 C ATOM 115 OG1 THR A 436 -5.042 -5.083 -0.365 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.737 -5.718 -0.223 1.00 15.00 C ATOM 0 H THR A 436 -3.257 -1.949 -1.355 1.00 15.00 H new ATOM 0 HA THR A 436 -4.117 -3.385 1.060 1.00 15.00 H new ATOM 0 HB THR A 436 -3.576 -4.378 -1.662 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.196 -5.906 -0.874 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.951 -6.614 -0.806 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.718 -5.388 -0.426 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.841 -5.943 0.838 1.00 15.00 H new ATOM 124 N GLU A 437 -1.699 -3.625 1.832 1.00 15.00 N ATOM 125 CA GLU A 437 -0.312 -3.566 2.283 1.00 15.00 C ATOM 126 C GLU A 437 0.308 -4.962 2.391 1.00 15.00 C ATOM 127 O GLU A 437 -0.291 -5.887 2.936 1.00 15.00 O ATOM 128 CB GLU A 437 -0.176 -2.794 3.606 1.00 15.00 C ATOM 129 CG GLU A 437 -0.721 -3.493 4.839 1.00 15.00 C ATOM 130 CD GLU A 437 -2.218 -3.721 4.799 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.970 -2.732 4.699 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.648 -4.890 4.873 1.00 15.00 O ATOM 0 H GLU A 437 -2.361 -4.010 2.505 1.00 15.00 H new ATOM 0 HA GLU A 437 0.245 -3.017 1.524 1.00 15.00 H new ATOM 0 HB2 GLU A 437 0.879 -2.577 3.771 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.685 -1.836 3.500 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.219 -4.454 4.952 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.476 -2.900 5.720 1.00 15.00 H new ATOM 139 N TYR A 438 1.515 -5.100 1.858 1.00 15.00 N ATOM 140 CA TYR A 438 2.252 -6.358 1.915 1.00 15.00 C ATOM 141 C TYR A 438 3.627 -6.147 2.509 1.00 15.00 C ATOM 142 O TYR A 438 4.227 -5.082 2.364 1.00 15.00 O ATOM 143 CB TYR A 438 2.446 -6.980 0.535 1.00 15.00 C ATOM 144 CG TYR A 438 1.229 -7.652 -0.053 1.00 15.00 C ATOM 145 CD1 TYR A 438 0.750 -8.839 0.481 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.585 -7.124 -1.161 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.338 -9.482 -0.072 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.509 -7.757 -1.718 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.965 -8.937 -1.170 1.00 15.00 C ATOM 150 OH TYR A 438 -2.044 -9.579 -1.728 1.00 15.00 O ATOM 0 H TYR A 438 2.009 -4.349 1.377 1.00 15.00 H new ATOM 0 HA TYR A 438 1.654 -7.027 2.535 1.00 15.00 H new ATOM 0 HB2 TYR A 438 2.777 -6.201 -0.152 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.250 -7.713 0.596 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.237 -9.267 1.345 1.00 15.00 H new ATOM 0 HD2 TYR A 438 0.944 -6.203 -1.596 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.696 -10.408 0.354 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -1.004 -7.330 -2.578 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.371 -9.063 -2.494 1.00 15.00 H new ATOM 160 N LYS A 439 4.123 -7.176 3.156 1.00 15.00 N ATOM 161 CA LYS A 439 5.498 -7.197 3.620 1.00 15.00 C ATOM 162 C LYS A 439 6.238 -8.387 3.057 1.00 15.00 C ATOM 163 O LYS A 439 5.676 -9.464 2.862 1.00 15.00 O ATOM 164 CB LYS A 439 5.614 -7.256 5.144 1.00 15.00 C ATOM 165 CG LYS A 439 5.710 -5.905 5.820 1.00 15.00 C ATOM 166 CD LYS A 439 4.390 -5.166 5.804 1.00 15.00 C ATOM 167 CE LYS A 439 3.276 -5.976 6.457 1.00 15.00 C ATOM 168 NZ LYS A 439 3.599 -6.346 7.861 1.00 15.00 N ATOM 0 H LYS A 439 3.592 -8.019 3.376 1.00 15.00 H new ATOM 0 HA LYS A 439 5.937 -6.263 3.270 1.00 15.00 H new ATOM 0 HB2 LYS A 439 4.748 -7.786 5.541 1.00 15.00 H new ATOM 0 HB3 LYS A 439 6.495 -7.842 5.406 1.00 15.00 H new ATOM 0 HG2 LYS A 439 6.038 -6.038 6.851 1.00 15.00 H new ATOM 0 HG3 LYS A 439 6.468 -5.303 5.320 1.00 15.00 H new ATOM 0 HD2 LYS A 439 4.500 -4.215 6.325 1.00 15.00 H new ATOM 0 HD3 LYS A 439 4.116 -4.936 4.775 1.00 15.00 H new ATOM 0 HE2 LYS A 439 2.351 -5.399 6.439 1.00 15.00 H new ATOM 0 HE3 LYS A 439 3.099 -6.881 5.876 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 2.769 -6.791 8.302 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 4.396 -7.014 7.869 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 3.858 -5.492 8.394 1.00 15.00 H new ATOM 182 N THR A 440 7.505 -8.173 2.811 1.00 15.00 N ATOM 183 CA THR A 440 8.433 -9.248 2.542 1.00 15.00 C ATOM 184 C THR A 440 9.016 -9.688 3.871 1.00 15.00 C ATOM 185 O THR A 440 9.028 -8.899 4.809 1.00 15.00 O ATOM 186 CB THR A 440 9.567 -8.815 1.609 1.00 15.00 C ATOM 187 OG1 THR A 440 10.296 -7.751 2.217 1.00 15.00 O ATOM 188 CG2 THR A 440 9.035 -8.370 0.257 1.00 15.00 C ATOM 0 H THR A 440 7.927 -7.245 2.791 1.00 15.00 H new ATOM 0 HA THR A 440 7.901 -10.058 2.043 1.00 15.00 H new ATOM 0 HB THR A 440 10.222 -9.670 1.444 1.00 15.00 H new ATOM 0 HG1 THR A 440 11.223 -7.767 1.900 1.00 15.00 H new ATOM 0 HG21 THR A 440 9.867 -8.069 -0.380 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.498 -9.194 -0.212 1.00 15.00 H new ATOM 0 HG23 THR A 440 8.358 -7.526 0.392 1.00 15.00 H new ATOM 196 N ALA A 441 9.399 -10.947 3.995 1.00 15.00 N ATOM 197 CA ALA A 441 10.016 -11.445 5.227 1.00 15.00 C ATOM 198 C ALA A 441 11.143 -10.528 5.744 1.00 15.00 C ATOM 199 O ALA A 441 11.458 -10.542 6.933 1.00 15.00 O ATOM 200 CB ALA A 441 10.551 -12.850 5.009 1.00 15.00 C ATOM 0 H ALA A 441 9.297 -11.648 3.262 1.00 15.00 H new ATOM 0 HA ALA A 441 9.238 -11.456 5.990 1.00 15.00 H new ATOM 0 HB1 ALA A 441 11.008 -13.212 5.930 1.00 15.00 H new ATOM 0 HB2 ALA A 441 9.732 -13.511 4.726 1.00 15.00 H new ATOM 0 HB3 ALA A 441 11.297 -12.836 4.215 1.00 15.00 H new ATOM 206 N ASP A 442 11.756 -9.738 4.859 1.00 15.00 N ATOM 207 CA ASP A 442 12.806 -8.801 5.276 1.00 15.00 C ATOM 208 C ASP A 442 12.218 -7.452 5.715 1.00 15.00 C ATOM 209 O ASP A 442 12.948 -6.552 6.128 1.00 15.00 O ATOM 210 CB ASP A 442 13.848 -8.597 4.167 1.00 15.00 C ATOM 211 CG ASP A 442 13.340 -7.785 2.996 1.00 15.00 C ATOM 212 OD1 ASP A 442 12.761 -8.375 2.060 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.534 -6.550 2.990 1.00 15.00 O ATOM 0 H ASP A 442 11.548 -9.726 3.861 1.00 15.00 H new ATOM 0 HA ASP A 442 13.307 -9.246 6.136 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.722 -8.101 4.589 1.00 15.00 H new ATOM 0 HB3 ASP A 442 14.177 -9.572 3.806 1.00 15.00 H new ATOM 218 N GLY A 443 10.897 -7.330 5.635 1.00 15.00 N ATOM 219 CA GLY A 443 10.202 -6.184 6.192 1.00 15.00 C ATOM 220 C GLY A 443 10.045 -5.058 5.207 1.00 15.00 C ATOM 221 O GLY A 443 9.997 -3.886 5.587 1.00 15.00 O ATOM 0 H GLY A 443 10.288 -8.015 5.188 1.00 15.00 H new ATOM 0 HA2 GLY A 443 9.217 -6.496 6.539 1.00 15.00 H new ATOM 0 HA3 GLY A 443 10.747 -5.823 7.064 1.00 15.00 H new ATOM 225 N LYS A 444 9.958 -5.410 3.937 1.00 15.00 N ATOM 226 CA LYS A 444 9.578 -4.454 2.920 1.00 15.00 C ATOM 227 C LYS A 444 8.096 -4.198 2.985 1.00 15.00 C ATOM 228 O LYS A 444 7.305 -5.050 2.588 1.00 15.00 O ATOM 229 CB LYS A 444 9.913 -4.962 1.526 1.00 15.00 C ATOM 230 CG LYS A 444 11.385 -4.975 1.242 1.00 15.00 C ATOM 231 CD LYS A 444 11.682 -5.413 -0.185 1.00 15.00 C ATOM 232 CE LYS A 444 13.173 -5.395 -0.484 1.00 15.00 C ATOM 233 NZ LYS A 444 13.930 -6.372 0.346 1.00 15.00 N ATOM 0 H LYS A 444 10.146 -6.350 3.588 1.00 15.00 H new ATOM 0 HA LYS A 444 10.136 -3.537 3.109 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.518 -5.971 1.409 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.412 -4.336 0.788 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.796 -3.980 1.410 1.00 15.00 H new ATOM 0 HG3 LYS A 444 11.884 -5.648 1.940 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.292 -6.418 -0.345 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.164 -4.755 -0.882 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.332 -5.618 -1.539 1.00 15.00 H new ATOM 0 HE3 LYS A 444 13.564 -4.393 -0.308 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 14.895 -6.471 -0.028 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.972 -6.034 1.329 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 13.452 -7.295 0.318 1.00 15.00 H new ATOM 247 N THR A 445 7.707 -3.061 3.514 1.00 15.00 N ATOM 248 CA THR A 445 6.314 -2.708 3.473 1.00 15.00 C ATOM 249 C THR A 445 6.044 -1.929 2.195 1.00 15.00 C ATOM 250 O THR A 445 6.178 -0.707 2.154 1.00 15.00 O ATOM 251 CB THR A 445 5.902 -1.862 4.694 1.00 15.00 C ATOM 252 OG1 THR A 445 6.334 -2.503 5.901 1.00 15.00 O ATOM 253 CG2 THR A 445 4.391 -1.667 4.736 1.00 15.00 C ATOM 0 H THR A 445 8.320 -2.383 3.966 1.00 15.00 H new ATOM 0 HA THR A 445 5.725 -3.625 3.495 1.00 15.00 H new ATOM 0 HB THR A 445 6.378 -0.885 4.607 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.070 -1.959 6.673 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.126 -1.067 5.606 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.065 -1.156 3.830 1.00 15.00 H new ATOM 0 HG23 THR A 445 3.900 -2.638 4.802 1.00 15.00 H new ATOM 261 N TYR A 446 5.713 -2.656 1.142 1.00 15.00 N ATOM 262 CA TYR A 446 5.264 -2.048 -0.099 1.00 15.00 C ATOM 263 C TYR A 446 3.760 -2.208 -0.236 1.00 15.00 C ATOM 264 O TYR A 446 3.188 -3.224 0.170 1.00 15.00 O ATOM 265 CB TYR A 446 5.985 -2.657 -1.306 1.00 15.00 C ATOM 266 CG TYR A 446 5.757 -4.140 -1.499 1.00 15.00 C ATOM 267 CD1 TYR A 446 6.312 -5.068 -0.627 1.00 15.00 C ATOM 268 CD2 TYR A 446 4.995 -4.610 -2.561 1.00 15.00 C ATOM 269 CE1 TYR A 446 6.114 -6.419 -0.806 1.00 15.00 C ATOM 270 CE2 TYR A 446 4.792 -5.962 -2.747 1.00 15.00 C ATOM 271 CZ TYR A 446 5.354 -6.865 -1.864 1.00 15.00 C ATOM 272 OH TYR A 446 5.155 -8.214 -2.039 1.00 15.00 O ATOM 0 H TYR A 446 5.747 -3.675 1.122 1.00 15.00 H new ATOM 0 HA TYR A 446 5.507 -0.986 -0.071 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.662 -2.134 -2.206 1.00 15.00 H new ATOM 0 HB3 TYR A 446 7.055 -2.479 -1.200 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.909 -4.724 0.205 1.00 15.00 H new ATOM 0 HD2 TYR A 446 4.555 -3.906 -3.252 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.554 -7.127 -0.119 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.197 -6.313 -3.578 1.00 15.00 H new ATOM 0 HH TYR A 446 4.596 -8.362 -2.830 1.00 15.00 H new ATOM 282 N TYR A 447 3.126 -1.216 -0.823 1.00 15.00 N ATOM 283 CA TYR A 447 1.682 -1.187 -0.896 1.00 15.00 C ATOM 284 C TYR A 447 1.186 -1.588 -2.273 1.00 15.00 C ATOM 285 O TYR A 447 1.427 -0.907 -3.273 1.00 15.00 O ATOM 286 CB TYR A 447 1.166 0.191 -0.499 1.00 15.00 C ATOM 287 CG TYR A 447 1.591 0.570 0.901 1.00 15.00 C ATOM 288 CD1 TYR A 447 0.968 0.011 2.009 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.628 1.469 1.117 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.359 0.339 3.292 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.027 1.803 2.396 1.00 15.00 C ATOM 292 CZ TYR A 447 2.390 1.236 3.482 1.00 15.00 C ATOM 293 OH TYR A 447 2.780 1.573 4.759 1.00 15.00 O ATOM 0 H TYR A 447 3.589 -0.418 -1.257 1.00 15.00 H new ATOM 0 HA TYR A 447 1.288 -1.919 -0.191 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.536 0.935 -1.205 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.078 0.204 -0.564 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.162 -0.694 1.864 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.130 1.914 0.271 1.00 15.00 H new ATOM 0 HE1 TYR A 447 0.861 -0.104 4.142 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.834 2.505 2.546 1.00 15.00 H new ATOM 0 HH TYR A 447 3.519 2.215 4.717 1.00 15.00 H new ATOM 303 N TYR A 448 0.516 -2.721 -2.302 1.00 15.00 N ATOM 304 CA TYR A 448 -0.098 -3.237 -3.503 1.00 15.00 C ATOM 305 C TYR A 448 -1.607 -3.060 -3.399 1.00 15.00 C ATOM 306 O TYR A 448 -2.247 -3.717 -2.612 1.00 15.00 O ATOM 307 CB TYR A 448 0.265 -4.715 -3.670 1.00 15.00 C ATOM 308 CG TYR A 448 -0.163 -5.336 -4.982 1.00 15.00 C ATOM 309 CD1 TYR A 448 0.657 -5.276 -6.101 1.00 15.00 C ATOM 310 CD2 TYR A 448 -1.376 -6.006 -5.094 1.00 15.00 C ATOM 311 CE1 TYR A 448 0.283 -5.865 -7.293 1.00 15.00 C ATOM 312 CE2 TYR A 448 -1.758 -6.593 -6.284 1.00 15.00 C ATOM 313 CZ TYR A 448 -0.926 -6.522 -7.377 1.00 15.00 C ATOM 314 OH TYR A 448 -1.296 -7.122 -8.560 1.00 15.00 O ATOM 0 H TYR A 448 0.382 -3.314 -1.483 1.00 15.00 H new ATOM 0 HA TYR A 448 0.265 -2.694 -4.376 1.00 15.00 H new ATOM 0 HB2 TYR A 448 1.345 -4.821 -3.571 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -0.187 -5.279 -2.854 1.00 15.00 H new ATOM 0 HD1 TYR A 448 1.604 -4.760 -6.038 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -2.030 -6.068 -4.237 1.00 15.00 H new ATOM 0 HE1 TYR A 448 0.933 -5.811 -8.154 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -2.706 -7.106 -6.356 1.00 15.00 H new ATOM 0 HH TYR A 448 -2.175 -7.543 -8.453 1.00 15.00 H new ATOM 324 N ASN A 449 -2.173 -2.157 -4.172 1.00 15.00 N ATOM 325 CA ASN A 449 -3.616 -1.877 -4.072 1.00 15.00 C ATOM 326 C ASN A 449 -4.393 -2.757 -4.991 1.00 15.00 C ATOM 327 O ASN A 449 -3.909 -3.145 -6.025 1.00 15.00 O ATOM 328 CB ASN A 449 -3.859 -0.394 -4.214 1.00 15.00 C ATOM 329 CG ASN A 449 -5.292 0.052 -4.571 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.042 -0.634 -5.259 1.00 15.00 O ATOM 331 ND2 ASN A 449 -5.649 1.258 -4.168 1.00 15.00 N ATOM 0 H ASN A 449 -1.677 -1.604 -4.871 1.00 15.00 H new ATOM 0 HA ASN A 449 -3.994 -2.134 -3.082 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.579 0.086 -3.276 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.185 -0.013 -4.981 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -6.561 1.633 -4.428 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.013 1.814 -3.597 1.00 15.00 H new ATOM 338 N ASN A 450 -5.599 -3.098 -4.572 1.00 15.00 N ATOM 339 CA ASN A 450 -6.280 -4.253 -5.112 1.00 15.00 C ATOM 340 C ASN A 450 -7.480 -3.888 -5.988 1.00 15.00 C ATOM 341 O ASN A 450 -8.180 -4.772 -6.480 1.00 15.00 O ATOM 342 CB ASN A 450 -6.684 -5.173 -3.959 1.00 15.00 C ATOM 343 CG ASN A 450 -7.541 -4.477 -2.898 1.00 15.00 C ATOM 344 OD1 ASN A 450 -8.754 -4.351 -3.079 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.957 -4.048 -1.763 1.00 15.00 N ATOM 0 H ASN A 450 -6.123 -2.590 -3.860 1.00 15.00 H new ATOM 0 HA ASN A 450 -5.590 -4.774 -5.775 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -7.235 -6.024 -4.359 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.785 -5.568 -3.487 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.520 -3.610 -1.034 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -5.952 -4.161 -1.632 1.00 15.00 H new ATOM 352 N ARG A 451 -7.711 -2.598 -6.202 1.00 15.00 N ATOM 353 CA ARG A 451 -8.724 -2.177 -7.167 1.00 15.00 C ATOM 354 C ARG A 451 -8.059 -1.757 -8.471 1.00 15.00 C ATOM 355 O ARG A 451 -8.636 -1.881 -9.552 1.00 15.00 O ATOM 356 CB ARG A 451 -9.586 -1.022 -6.636 1.00 15.00 C ATOM 357 CG ARG A 451 -8.820 0.271 -6.398 1.00 15.00 C ATOM 358 CD ARG A 451 -9.746 1.421 -6.027 1.00 15.00 C ATOM 359 NE ARG A 451 -10.678 1.770 -7.098 1.00 15.00 N ATOM 360 CZ ARG A 451 -11.701 2.613 -6.945 1.00 15.00 C ATOM 361 NH1 ARG A 451 -11.912 3.200 -5.772 1.00 15.00 N ATOM 362 NH2 ARG A 451 -12.501 2.880 -7.967 1.00 15.00 N ATOM 0 H ARG A 451 -7.222 -1.837 -5.731 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.380 -3.030 -7.340 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -10.391 -0.829 -7.345 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -10.052 -1.332 -5.701 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -8.092 0.120 -5.601 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -8.260 0.531 -7.296 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -10.311 1.152 -5.134 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -9.147 2.296 -5.774 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.538 1.345 -8.015 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -11.291 3.007 -4.986 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -12.695 3.844 -5.657 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -12.335 2.441 -8.873 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -13.282 3.525 -7.848 1.00 15.00 H new ATOM 376 N THR A 452 -6.847 -1.241 -8.349 1.00 15.00 N ATOM 377 CA THR A 452 -6.115 -0.721 -9.490 1.00 15.00 C ATOM 378 C THR A 452 -4.755 -1.410 -9.608 1.00 15.00 C ATOM 379 O THR A 452 -4.042 -1.243 -10.595 1.00 15.00 O ATOM 380 CB THR A 452 -5.924 0.797 -9.331 1.00 15.00 C ATOM 381 OG1 THR A 452 -7.139 1.402 -8.864 1.00 15.00 O ATOM 382 CG2 THR A 452 -5.518 1.449 -10.635 1.00 15.00 C ATOM 0 H THR A 452 -6.347 -1.171 -7.463 1.00 15.00 H new ATOM 0 HA THR A 452 -6.684 -0.920 -10.398 1.00 15.00 H new ATOM 0 HB THR A 452 -5.126 0.950 -8.604 1.00 15.00 H new ATOM 0 HG1 THR A 452 -6.927 2.217 -8.362 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.393 2.521 -10.482 1.00 15.00 H new ATOM 0 HG22 THR A 452 -4.577 1.019 -10.979 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.291 1.277 -11.384 1.00 15.00 H new ATOM 390 N LEU A 453 -4.422 -2.185 -8.575 1.00 15.00 N ATOM 391 CA LEU A 453 -3.186 -2.970 -8.499 1.00 15.00 C ATOM 392 C LEU A 453 -1.933 -2.139 -8.741 1.00 15.00 C ATOM 393 O LEU A 453 -1.449 -1.973 -9.861 1.00 15.00 O ATOM 394 CB LEU A 453 -3.222 -4.284 -9.306 1.00 15.00 C ATOM 395 CG LEU A 453 -3.850 -4.251 -10.705 1.00 15.00 C ATOM 396 CD1 LEU A 453 -3.224 -5.322 -11.582 1.00 15.00 C ATOM 397 CD2 LEU A 453 -5.357 -4.470 -10.624 1.00 15.00 C ATOM 0 H LEU A 453 -5.014 -2.288 -7.751 1.00 15.00 H new ATOM 0 HA LEU A 453 -3.124 -3.294 -7.460 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -2.197 -4.642 -9.408 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -3.761 -5.025 -8.715 1.00 15.00 H new ATOM 0 HG LEU A 453 -3.662 -3.270 -11.142 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -3.676 -5.291 -12.573 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -2.152 -5.143 -11.666 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -3.394 -6.302 -11.136 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -5.783 -4.443 -11.627 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -5.560 -5.440 -10.170 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -5.807 -3.684 -10.017 1.00 15.00 H new ATOM 409 N TYR A 454 -1.451 -1.605 -7.628 1.00 15.00 N ATOM 410 CA TYR A 454 -0.268 -0.746 -7.580 1.00 15.00 C ATOM 411 C TYR A 454 0.855 -1.488 -6.903 1.00 15.00 C ATOM 412 O TYR A 454 0.619 -2.136 -5.896 1.00 15.00 O ATOM 413 CB TYR A 454 -0.535 0.484 -6.708 1.00 15.00 C ATOM 414 CG TYR A 454 -1.736 1.283 -7.068 1.00 15.00 C ATOM 415 CD1 TYR A 454 -2.932 0.856 -6.615 1.00 15.00 C ATOM 416 CD2 TYR A 454 -1.681 2.461 -7.793 1.00 15.00 C ATOM 417 CE1 TYR A 454 -4.078 1.529 -6.837 1.00 15.00 C ATOM 418 CE2 TYR A 454 -2.836 3.181 -8.039 1.00 15.00 C ATOM 419 CZ TYR A 454 -4.042 2.711 -7.553 1.00 15.00 C ATOM 420 OH TYR A 454 -5.199 3.414 -7.790 1.00 15.00 O ATOM 0 H TYR A 454 -1.877 -1.757 -6.714 1.00 15.00 H new ATOM 0 HA TYR A 454 -0.021 -0.459 -8.602 1.00 15.00 H new ATOM 0 HB2 TYR A 454 -0.636 0.157 -5.673 1.00 15.00 H new ATOM 0 HB3 TYR A 454 0.338 1.135 -6.753 1.00 15.00 H new ATOM 0 HD1 TYR A 454 -2.973 -0.064 -6.051 1.00 15.00 H new ATOM 0 HD2 TYR A 454 -0.733 2.819 -8.168 1.00 15.00 H new ATOM 0 HE1 TYR A 454 -5.016 1.149 -6.459 1.00 15.00 H new ATOM 0 HE2 TYR A 454 -2.796 4.100 -8.605 1.00 15.00 H new ATOM 0 HH TYR A 454 -4.992 4.220 -8.307 1.00 15.00 H new ATOM 430 N SER A 455 2.057 -1.380 -7.424 1.00 15.00 N ATOM 431 CA SER A 455 3.227 -1.776 -6.670 1.00 15.00 C ATOM 432 C SER A 455 4.065 -0.548 -6.359 1.00 15.00 C ATOM 433 O SER A 455 4.701 0.028 -7.247 1.00 15.00 O ATOM 434 CB SER A 455 4.053 -2.819 -7.420 1.00 15.00 C ATOM 435 OG SER A 455 4.140 -2.513 -8.804 1.00 15.00 O ATOM 0 H SER A 455 2.250 -1.024 -8.360 1.00 15.00 H new ATOM 0 HA SER A 455 2.899 -2.237 -5.738 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.055 -2.868 -6.993 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.603 -3.803 -7.291 1.00 15.00 H new ATOM 0 HG SER A 455 4.341 -1.560 -8.916 1.00 15.00 H new ATOM 441 N THR A 456 4.016 -0.105 -5.116 1.00 15.00 N ATOM 442 CA THR A 456 4.778 1.053 -4.701 1.00 15.00 C ATOM 443 C THR A 456 5.420 0.817 -3.339 1.00 15.00 C ATOM 444 O THR A 456 4.753 0.446 -2.373 1.00 15.00 O ATOM 445 CB THR A 456 3.902 2.333 -4.674 1.00 15.00 C ATOM 446 OG1 THR A 456 4.682 3.464 -4.262 1.00 15.00 O ATOM 447 CG2 THR A 456 2.701 2.172 -3.752 1.00 15.00 C ATOM 0 H THR A 456 3.456 -0.531 -4.378 1.00 15.00 H new ATOM 0 HA THR A 456 5.568 1.206 -5.437 1.00 15.00 H new ATOM 0 HB THR A 456 3.532 2.498 -5.686 1.00 15.00 H new ATOM 0 HG1 THR A 456 4.117 4.265 -4.251 1.00 15.00 H new ATOM 0 HG21 THR A 456 2.111 3.089 -3.759 1.00 15.00 H new ATOM 0 HG22 THR A 456 2.085 1.342 -4.098 1.00 15.00 H new ATOM 0 HG23 THR A 456 3.045 1.970 -2.738 1.00 15.00 H new ATOM 455 N TRP A 457 6.732 0.984 -3.288 1.00 15.00 N ATOM 456 CA TRP A 457 7.471 0.877 -2.032 1.00 15.00 C ATOM 457 C TRP A 457 7.241 2.107 -1.155 1.00 15.00 C ATOM 458 O TRP A 457 7.688 2.155 -0.009 1.00 15.00 O ATOM 459 CB TRP A 457 8.977 0.730 -2.297 1.00 15.00 C ATOM 460 CG TRP A 457 9.328 -0.291 -3.338 1.00 15.00 C ATOM 461 CD1 TRP A 457 9.625 -0.051 -4.650 1.00 15.00 C ATOM 462 CD2 TRP A 457 9.430 -1.710 -3.158 1.00 15.00 C ATOM 463 NE1 TRP A 457 9.904 -1.231 -5.295 1.00 15.00 N ATOM 464 CE2 TRP A 457 9.787 -2.264 -4.404 1.00 15.00 C ATOM 465 CE3 TRP A 457 9.253 -2.565 -2.069 1.00 15.00 C ATOM 466 CZ2 TRP A 457 9.969 -3.633 -4.587 1.00 15.00 C ATOM 467 CZ3 TRP A 457 9.434 -3.925 -2.253 1.00 15.00 C ATOM 468 CH2 TRP A 457 9.788 -4.447 -3.502 1.00 15.00 C ATOM 0 H TRP A 457 7.311 1.195 -4.101 1.00 15.00 H new ATOM 0 HA TRP A 457 7.104 -0.009 -1.513 1.00 15.00 H new ATOM 0 HB2 TRP A 457 9.375 1.697 -2.606 1.00 15.00 H new ATOM 0 HB3 TRP A 457 9.473 0.464 -1.364 1.00 15.00 H new ATOM 0 HD1 TRP A 457 9.638 0.925 -5.113 1.00 15.00 H new ATOM 0 HE1 TRP A 457 10.157 -1.323 -6.279 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.980 -2.173 -1.101 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 10.243 -4.037 -5.550 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.299 -4.596 -1.417 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.921 -5.513 -3.612 1.00 15.00 H new ATOM 479 N GLU A 458 6.551 3.100 -1.697 1.00 15.00 N ATOM 480 CA GLU A 458 6.337 4.354 -0.994 1.00 15.00 C ATOM 481 C GLU A 458 4.935 4.402 -0.392 1.00 15.00 C ATOM 482 O GLU A 458 3.970 3.928 -0.993 1.00 15.00 O ATOM 483 CB GLU A 458 6.549 5.530 -1.952 1.00 15.00 C ATOM 484 CG GLU A 458 6.437 6.895 -1.288 1.00 15.00 C ATOM 485 CD GLU A 458 7.385 7.055 -0.116 1.00 15.00 C ATOM 486 OE1 GLU A 458 6.998 6.707 1.020 1.00 15.00 O ATOM 487 OE2 GLU A 458 8.522 7.532 -0.327 1.00 15.00 O ATOM 0 H GLU A 458 6.129 3.060 -2.625 1.00 15.00 H new ATOM 0 HA GLU A 458 7.058 4.426 -0.180 1.00 15.00 H new ATOM 0 HB2 GLU A 458 7.534 5.440 -2.410 1.00 15.00 H new ATOM 0 HB3 GLU A 458 5.816 5.467 -2.756 1.00 15.00 H new ATOM 0 HG2 GLU A 458 6.643 7.671 -2.025 1.00 15.00 H new ATOM 0 HG3 GLU A 458 5.413 7.045 -0.945 1.00 15.00 H new ATOM 494 N LYS A 459 4.833 5.003 0.785 1.00 15.00 N ATOM 495 CA LYS A 459 3.561 5.134 1.474 1.00 15.00 C ATOM 496 C LYS A 459 2.788 6.340 0.935 1.00 15.00 C ATOM 497 O LYS A 459 3.249 7.480 1.041 1.00 15.00 O ATOM 498 CB LYS A 459 3.789 5.286 2.982 1.00 15.00 C ATOM 499 CG LYS A 459 2.508 5.530 3.758 1.00 15.00 C ATOM 500 CD LYS A 459 2.779 5.928 5.201 1.00 15.00 C ATOM 501 CE LYS A 459 3.077 4.735 6.090 1.00 15.00 C ATOM 502 NZ LYS A 459 3.067 5.125 7.524 1.00 15.00 N ATOM 0 H LYS A 459 5.624 5.410 1.284 1.00 15.00 H new ATOM 0 HA LYS A 459 2.974 4.233 1.296 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.271 4.386 3.363 1.00 15.00 H new ATOM 0 HB3 LYS A 459 4.476 6.114 3.158 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.932 6.315 3.268 1.00 15.00 H new ATOM 0 HG3 LYS A 459 1.897 4.628 3.740 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.622 6.618 5.231 1.00 15.00 H new ATOM 0 HD3 LYS A 459 1.915 6.463 5.595 1.00 15.00 H new ATOM 0 HE2 LYS A 459 2.337 3.954 5.917 1.00 15.00 H new ATOM 0 HE3 LYS A 459 4.049 4.317 5.830 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 3.104 4.271 8.116 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 3.893 5.723 7.727 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 2.197 5.654 7.734 1.00 15.00 H new ATOM 516 N PRO A 460 1.597 6.105 0.361 1.00 15.00 N ATOM 517 CA PRO A 460 0.778 7.163 -0.232 1.00 15.00 C ATOM 518 C PRO A 460 0.143 8.077 0.817 1.00 15.00 C ATOM 519 O PRO A 460 0.166 7.787 2.017 1.00 15.00 O ATOM 520 CB PRO A 460 -0.288 6.391 -1.009 1.00 15.00 C ATOM 521 CG PRO A 460 -0.405 5.089 -0.305 1.00 15.00 C ATOM 522 CD PRO A 460 0.957 4.783 0.250 1.00 15.00 C ATOM 0 HA PRO A 460 1.368 7.836 -0.854 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.238 6.925 -1.013 1.00 15.00 H new ATOM 0 HB3 PRO A 460 0.004 6.253 -2.050 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.146 5.144 0.493 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.731 4.305 -0.989 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.892 4.288 1.219 1.00 15.00 H new ATOM 0 HD3 PRO A 460 1.518 4.121 -0.410 1.00 15.00 H new ATOM 530 N GLN A 461 -0.461 9.160 0.345 1.00 15.00 N ATOM 531 CA GLN A 461 -0.941 10.230 1.215 1.00 15.00 C ATOM 532 C GLN A 461 -2.123 9.799 2.082 1.00 15.00 C ATOM 533 O GLN A 461 -2.370 10.390 3.135 1.00 15.00 O ATOM 534 CB GLN A 461 -1.324 11.452 0.379 1.00 15.00 C ATOM 535 CG GLN A 461 -0.174 12.012 -0.447 1.00 15.00 C ATOM 536 CD GLN A 461 0.804 12.856 0.358 1.00 15.00 C ATOM 537 OE1 GLN A 461 1.433 13.766 -0.179 1.00 15.00 O ATOM 538 NE2 GLN A 461 0.942 12.574 1.647 1.00 15.00 N ATOM 0 H GLN A 461 -0.632 9.323 -0.647 1.00 15.00 H new ATOM 0 HA GLN A 461 -0.124 10.484 1.891 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -2.142 11.183 -0.289 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -1.698 12.232 1.042 1.00 15.00 H new ATOM 0 HG2 GLN A 461 0.367 11.185 -0.908 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -0.581 12.617 -1.257 1.00 15.00 H new ATOM 0 HE21 GLN A 461 0.406 11.812 2.063 1.00 15.00 H new ATOM 0 HE22 GLN A 461 1.584 13.119 2.222 1.00 15.00 H new ATOM 547 N GLU A 462 -2.863 8.792 1.641 1.00 15.00 N ATOM 548 CA GLU A 462 -4.002 8.303 2.411 1.00 15.00 C ATOM 549 C GLU A 462 -3.605 7.125 3.294 1.00 15.00 C ATOM 550 O GLU A 462 -4.423 6.607 4.056 1.00 15.00 O ATOM 551 CB GLU A 462 -5.179 7.917 1.502 1.00 15.00 C ATOM 552 CG GLU A 462 -4.811 7.027 0.324 1.00 15.00 C ATOM 553 CD GLU A 462 -4.172 7.804 -0.805 1.00 15.00 C ATOM 554 OE1 GLU A 462 -4.911 8.426 -1.595 1.00 15.00 O ATOM 555 OE2 GLU A 462 -2.929 7.814 -0.893 1.00 15.00 O ATOM 0 H GLU A 462 -2.699 8.300 0.763 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.329 9.121 3.053 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -5.932 7.407 2.103 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -5.639 8.828 1.121 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -4.126 6.249 0.660 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.707 6.526 -0.044 1.00 15.00 H new ATOM 562 N LEU A 463 -2.348 6.714 3.198 1.00 15.00 N ATOM 563 CA LEU A 463 -1.835 5.635 4.032 1.00 15.00 C ATOM 564 C LEU A 463 -0.810 6.151 5.029 1.00 15.00 C ATOM 565 O LEU A 463 -0.190 5.361 5.737 1.00 15.00 O ATOM 566 CB LEU A 463 -1.207 4.529 3.181 1.00 15.00 C ATOM 567 CG LEU A 463 -2.194 3.563 2.528 1.00 15.00 C ATOM 568 CD1 LEU A 463 -1.450 2.523 1.712 1.00 15.00 C ATOM 569 CD2 LEU A 463 -3.050 2.883 3.582 1.00 15.00 C ATOM 0 H LEU A 463 -1.665 7.110 2.552 1.00 15.00 H new ATOM 0 HA LEU A 463 -2.683 5.222 4.579 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -0.607 4.993 2.398 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -0.524 3.955 3.808 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.845 4.132 1.865 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.165 1.841 1.252 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -0.869 3.018 0.934 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.780 1.961 2.363 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.747 2.199 3.099 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.410 2.326 4.266 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.608 3.636 4.139 1.00 15.00 H new ATOM 581 N LYS A 464 -0.658 7.474 5.090 1.00 15.00 N ATOM 582 CA LYS A 464 0.302 8.113 5.993 1.00 15.00 C ATOM 583 C LYS A 464 0.114 7.628 7.430 1.00 15.00 C ATOM 584 O LYS A 464 -0.830 8.099 8.101 1.00 15.00 O ATOM 585 CB LYS A 464 0.152 9.638 5.936 1.00 15.00 C ATOM 586 CG LYS A 464 0.577 10.276 4.616 1.00 15.00 C ATOM 587 CD LYS A 464 2.085 10.493 4.532 1.00 15.00 C ATOM 588 CE LYS A 464 2.843 9.216 4.200 1.00 15.00 C ATOM 589 NZ LYS A 464 4.316 9.430 4.217 1.00 15.00 N ATOM 590 OXT LYS A 464 0.902 6.767 7.875 1.00 15.00 O ATOM 0 H LYS A 464 -1.192 8.130 4.520 1.00 15.00 H new ATOM 0 HA LYS A 464 1.304 7.837 5.665 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -0.890 9.894 6.127 1.00 15.00 H new ATOM 0 HB3 LYS A 464 0.741 10.077 6.741 1.00 15.00 H new ATOM 0 HG2 LYS A 464 0.258 9.641 3.790 1.00 15.00 H new ATOM 0 HG3 LYS A 464 0.068 11.233 4.498 1.00 15.00 H new ATOM 0 HD2 LYS A 464 2.298 11.245 3.773 1.00 15.00 H new ATOM 0 HD3 LYS A 464 2.445 10.888 5.482 1.00 15.00 H new ATOM 0 HE2 LYS A 464 2.580 8.439 4.918 1.00 15.00 H new ATOM 0 HE3 LYS A 464 2.539 8.857 3.217 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 4.799 8.538 3.986 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 4.570 10.153 3.514 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 4.610 9.748 5.163 1.00 15.00 H new TER 604 LYS A 464