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 151:sc= -0.225 USER MOD Set 1.2: A 454 TYR OH : rot 180:sc= 0.0119 USER MOD Set 2.1: A 436 THR OG1 : rot 180:sc= -0.326 USER MOD Set 2.2: A 450 ASN : amide:sc= -0.142 K(o=-0.47,f=2.2) USER MOD Set 3.1: A 447 TYR OH : rot 130:sc= 0.161 USER MOD Set 3.2: A 459 LYS NZ :NH3+ 161:sc= -0.106 (180deg=-0.0103) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot -34:sc= 0.359 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 114:sc= -2.15! USER MOD Single : A 444 LYS NZ :NH3+ 137:sc= 0.765 (180deg=-1.27!) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 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= -3.63! C(o=-3.6!,f=-20!) USER MOD Single : A 455 SER OG : rot 46:sc= 0.195 USER MOD Single : A 456 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 461 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.26) USER MOD Single : A 464 LYS NZ :NH3+ -138:sc= -1.42 (180deg=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -6.229 8.180 5.596 1.00 15.00 N ATOM 2 CA GLY A 428 -7.105 9.247 5.061 1.00 15.00 C ATOM 3 C GLY A 428 -8.507 8.743 4.812 1.00 15.00 C ATOM 4 O GLY A 428 -8.692 7.575 4.459 1.00 15.00 O ATOM 0 HA2 GLY A 428 -7.137 10.079 5.764 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -6.685 9.631 4.131 1.00 15.00 H new ATOM 10 N ALA A 429 -9.484 9.627 5.016 1.00 15.00 N ATOM 11 CA ALA A 429 -10.901 9.306 4.840 1.00 15.00 C ATOM 12 C ALA A 429 -11.285 8.020 5.571 1.00 15.00 C ATOM 13 O ALA A 429 -11.592 7.002 4.942 1.00 15.00 O ATOM 14 CB ALA A 429 -11.252 9.218 3.360 1.00 15.00 C ATOM 0 H ALA A 429 -9.315 10.589 5.309 1.00 15.00 H new ATOM 0 HA ALA A 429 -11.480 10.116 5.284 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -12.310 8.978 3.251 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -11.045 10.174 2.879 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -10.653 8.438 2.890 1.00 15.00 H new ATOM 20 N THR A 430 -11.256 8.081 6.902 1.00 15.00 N ATOM 21 CA THR A 430 -11.552 6.932 7.760 1.00 15.00 C ATOM 22 C THR A 430 -10.451 5.872 7.668 1.00 15.00 C ATOM 23 O THR A 430 -9.683 5.680 8.612 1.00 15.00 O ATOM 24 CB THR A 430 -12.919 6.299 7.415 1.00 15.00 C ATOM 25 OG1 THR A 430 -13.939 7.307 7.433 1.00 15.00 O ATOM 26 CG2 THR A 430 -13.272 5.192 8.400 1.00 15.00 C ATOM 0 H THR A 430 -11.026 8.930 7.418 1.00 15.00 H new ATOM 0 HA THR A 430 -11.595 7.305 8.783 1.00 15.00 H new ATOM 0 HB THR A 430 -12.853 5.863 6.418 1.00 15.00 H new ATOM 0 HG1 THR A 430 -14.803 6.902 7.212 1.00 15.00 H new ATOM 0 HG21 THR A 430 -14.238 4.763 8.135 1.00 15.00 H new ATOM 0 HG22 THR A 430 -12.508 4.415 8.363 1.00 15.00 H new ATOM 0 HG23 THR A 430 -13.322 5.604 9.408 1.00 15.00 H new ATOM 34 N ALA A 431 -10.367 5.226 6.506 1.00 15.00 N ATOM 35 CA ALA A 431 -9.438 4.135 6.257 1.00 15.00 C ATOM 36 C ALA A 431 -9.720 3.547 4.881 1.00 15.00 C ATOM 37 O ALA A 431 -10.720 2.853 4.691 1.00 15.00 O ATOM 38 CB ALA A 431 -9.556 3.047 7.322 1.00 15.00 C ATOM 0 H ALA A 431 -10.953 5.452 5.702 1.00 15.00 H new ATOM 0 HA ALA A 431 -8.422 4.528 6.296 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -8.848 2.247 7.105 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -9.336 3.471 8.302 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -10.569 2.645 7.321 1.00 15.00 H new ATOM 44 N VAL A 432 -8.879 3.864 3.910 1.00 15.00 N ATOM 45 CA VAL A 432 -9.051 3.326 2.569 1.00 15.00 C ATOM 46 C VAL A 432 -8.550 1.884 2.508 1.00 15.00 C ATOM 47 O VAL A 432 -7.362 1.606 2.676 1.00 15.00 O ATOM 48 CB VAL A 432 -8.352 4.189 1.490 1.00 15.00 C ATOM 49 CG1 VAL A 432 -9.043 5.536 1.355 1.00 15.00 C ATOM 50 CG2 VAL A 432 -6.880 4.385 1.809 1.00 15.00 C ATOM 0 H VAL A 432 -8.078 4.485 4.022 1.00 15.00 H new ATOM 0 HA VAL A 432 -10.118 3.346 2.349 1.00 15.00 H new ATOM 0 HB VAL A 432 -8.425 3.658 0.541 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -8.538 6.129 0.592 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -10.083 5.384 1.067 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -9.004 6.062 2.309 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -6.418 4.995 1.033 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -6.780 4.886 2.772 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -6.385 3.415 1.851 1.00 15.00 H new ATOM 60 N SER A 433 -9.475 0.970 2.295 1.00 15.00 N ATOM 61 CA SER A 433 -9.172 -0.451 2.289 1.00 15.00 C ATOM 62 C SER A 433 -8.797 -0.909 0.881 1.00 15.00 C ATOM 63 O SER A 433 -8.519 -2.085 0.646 1.00 15.00 O ATOM 64 CB SER A 433 -10.390 -1.221 2.807 1.00 15.00 C ATOM 65 OG SER A 433 -10.131 -2.611 2.935 1.00 15.00 O ATOM 0 H SER A 433 -10.456 1.188 2.121 1.00 15.00 H new ATOM 0 HA SER A 433 -8.320 -0.648 2.940 1.00 15.00 H new ATOM 0 HB2 SER A 433 -10.688 -0.818 3.775 1.00 15.00 H new ATOM 0 HB3 SER A 433 -11.229 -1.071 2.127 1.00 15.00 H new ATOM 0 HG SER A 433 -9.518 -2.896 2.225 1.00 15.00 H new ATOM 71 N GLU A 434 -8.776 0.037 -0.051 1.00 15.00 N ATOM 72 CA GLU A 434 -8.460 -0.269 -1.437 1.00 15.00 C ATOM 73 C GLU A 434 -6.999 -0.620 -1.599 1.00 15.00 C ATOM 74 O GLU A 434 -6.616 -1.321 -2.533 1.00 15.00 O ATOM 75 CB GLU A 434 -8.804 0.900 -2.346 1.00 15.00 C ATOM 76 CG GLU A 434 -8.161 2.218 -1.964 1.00 15.00 C ATOM 77 CD GLU A 434 -8.379 3.268 -3.030 1.00 15.00 C ATOM 78 OE1 GLU A 434 -9.462 3.893 -3.048 1.00 15.00 O ATOM 79 OE2 GLU A 434 -7.488 3.430 -3.882 1.00 15.00 O ATOM 0 H GLU A 434 -8.974 1.021 0.130 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.063 -1.131 -1.723 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -8.506 0.649 -3.364 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -9.886 1.029 -2.353 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.576 2.566 -1.018 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.092 2.072 -1.809 1.00 15.00 H new ATOM 86 N TRP A 435 -6.190 -0.140 -0.681 1.00 15.00 N ATOM 87 CA TRP A 435 -4.767 -0.358 -0.748 1.00 15.00 C ATOM 88 C TRP A 435 -4.431 -1.628 -0.027 1.00 15.00 C ATOM 89 O TRP A 435 -4.951 -1.887 1.060 1.00 15.00 O ATOM 90 CB TRP A 435 -4.021 0.814 -0.117 1.00 15.00 C ATOM 91 CG TRP A 435 -3.924 2.000 -1.016 1.00 15.00 C ATOM 92 CD1 TRP A 435 -4.873 2.956 -1.231 1.00 15.00 C ATOM 93 CD2 TRP A 435 -2.805 2.347 -1.831 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.410 3.874 -2.147 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.136 3.520 -2.526 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.552 1.767 -2.038 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -2.252 4.128 -3.417 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -0.677 2.365 -2.917 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.028 3.533 -3.597 1.00 15.00 C ATOM 0 H TRP A 435 -6.498 0.406 0.124 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.463 -0.438 -1.792 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -4.526 1.105 0.804 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -3.017 0.492 0.158 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.842 2.988 -0.755 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -4.927 4.684 -2.489 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.273 0.863 -1.517 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.520 5.031 -3.945 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.295 1.924 -3.083 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.320 3.979 -4.280 1.00 15.00 H new ATOM 110 N THR A 436 -3.551 -2.422 -0.600 1.00 15.00 N ATOM 111 CA THR A 436 -3.277 -3.679 -0.006 1.00 15.00 C ATOM 112 C THR A 436 -1.818 -3.733 0.430 1.00 15.00 C ATOM 113 O THR A 436 -0.926 -3.680 -0.399 1.00 15.00 O ATOM 114 CB THR A 436 -3.646 -4.894 -0.884 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.992 -5.261 -0.608 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.753 -6.097 -0.603 1.00 15.00 C ATOM 0 H THR A 436 -3.034 -2.213 -1.454 1.00 15.00 H new ATOM 0 HA THR A 436 -3.928 -3.759 0.864 1.00 15.00 H new ATOM 0 HB THR A 436 -3.512 -4.607 -1.927 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.241 -6.031 -1.160 1.00 15.00 H new ATOM 0 HG21 THR A 436 -3.049 -6.928 -1.244 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.715 -5.835 -0.806 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.856 -6.390 0.442 1.00 15.00 H new ATOM 124 N GLU A 437 -1.557 -3.807 1.711 1.00 15.00 N ATOM 125 CA GLU A 437 -0.180 -3.764 2.168 1.00 15.00 C ATOM 126 C GLU A 437 0.412 -5.168 2.236 1.00 15.00 C ATOM 127 O GLU A 437 -0.193 -6.098 2.776 1.00 15.00 O ATOM 128 CB GLU A 437 -0.051 -3.054 3.522 1.00 15.00 C ATOM 129 CG GLU A 437 -0.674 -3.797 4.680 1.00 15.00 C ATOM 130 CD GLU A 437 -2.185 -3.671 4.734 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.880 -4.357 3.951 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.691 -2.902 5.577 1.00 15.00 O ATOM 0 H GLU A 437 -2.258 -3.895 2.446 1.00 15.00 H new ATOM 0 HA GLU A 437 0.387 -3.184 1.440 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.006 -2.895 3.735 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.513 -2.070 3.447 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -0.407 -4.852 4.611 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.252 -3.422 5.612 1.00 15.00 H new ATOM 139 N TYR A 438 1.594 -5.308 1.669 1.00 15.00 N ATOM 140 CA TYR A 438 2.323 -6.563 1.691 1.00 15.00 C ATOM 141 C TYR A 438 3.649 -6.380 2.394 1.00 15.00 C ATOM 142 O TYR A 438 4.253 -5.310 2.344 1.00 15.00 O ATOM 143 CB TYR A 438 2.600 -7.085 0.281 1.00 15.00 C ATOM 144 CG TYR A 438 1.416 -7.709 -0.421 1.00 15.00 C ATOM 145 CD1 TYR A 438 0.940 -8.953 -0.030 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.795 -7.077 -1.490 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.123 -9.548 -0.680 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.273 -7.666 -2.144 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.727 -8.902 -1.736 1.00 15.00 C ATOM 150 OH TYR A 438 -1.790 -9.496 -2.381 1.00 15.00 O ATOM 0 H TYR A 438 2.077 -4.555 1.179 1.00 15.00 H new ATOM 0 HA TYR A 438 1.700 -7.284 2.220 1.00 15.00 H new ATOM 0 HB2 TYR A 438 2.969 -6.260 -0.328 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.400 -7.824 0.335 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.409 -9.465 0.797 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.151 -6.111 -1.816 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.480 -10.516 -0.362 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.749 -7.159 -2.971 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.103 -8.911 -3.102 1.00 15.00 H new ATOM 160 N LYS A 439 4.106 -7.441 3.013 1.00 15.00 N ATOM 161 CA LYS A 439 5.402 -7.449 3.660 1.00 15.00 C ATOM 162 C LYS A 439 6.155 -8.689 3.254 1.00 15.00 C ATOM 163 O LYS A 439 5.647 -9.804 3.379 1.00 15.00 O ATOM 164 CB LYS A 439 5.261 -7.393 5.189 1.00 15.00 C ATOM 165 CG LYS A 439 6.540 -7.588 5.984 1.00 15.00 C ATOM 166 CD LYS A 439 6.345 -7.095 7.415 1.00 15.00 C ATOM 167 CE LYS A 439 7.544 -7.388 8.304 1.00 15.00 C ATOM 168 NZ LYS A 439 7.547 -8.788 8.805 1.00 15.00 N ATOM 0 H LYS A 439 3.595 -8.321 3.084 1.00 15.00 H new ATOM 0 HA LYS A 439 5.954 -6.564 3.344 1.00 15.00 H new ATOM 0 HB2 LYS A 439 4.833 -6.428 5.459 1.00 15.00 H new ATOM 0 HB3 LYS A 439 4.546 -8.156 5.496 1.00 15.00 H new ATOM 0 HG2 LYS A 439 6.818 -8.642 5.988 1.00 15.00 H new ATOM 0 HG3 LYS A 439 7.358 -7.044 5.512 1.00 15.00 H new ATOM 0 HD2 LYS A 439 6.160 -6.021 7.403 1.00 15.00 H new ATOM 0 HD3 LYS A 439 5.459 -7.566 7.840 1.00 15.00 H new ATOM 0 HE2 LYS A 439 8.461 -7.202 7.745 1.00 15.00 H new ATOM 0 HE3 LYS A 439 7.542 -6.702 9.151 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 8.382 -8.940 9.406 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 6.685 -8.960 9.361 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 7.576 -9.445 7.999 1.00 15.00 H new ATOM 182 N THR A 440 7.363 -8.502 2.780 1.00 15.00 N ATOM 183 CA THR A 440 8.242 -9.617 2.599 1.00 15.00 C ATOM 184 C THR A 440 8.966 -9.736 3.907 1.00 15.00 C ATOM 185 O THR A 440 9.199 -8.725 4.558 1.00 15.00 O ATOM 186 CB THR A 440 9.217 -9.423 1.421 1.00 15.00 C ATOM 187 OG1 THR A 440 9.747 -8.098 1.437 1.00 15.00 O ATOM 188 CG2 THR A 440 8.526 -9.690 0.090 1.00 15.00 C ATOM 0 H THR A 440 7.751 -7.596 2.517 1.00 15.00 H new ATOM 0 HA THR A 440 7.692 -10.522 2.342 1.00 15.00 H new ATOM 0 HB THR A 440 10.032 -10.138 1.533 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.708 -8.132 1.628 1.00 15.00 H new ATOM 0 HG21 THR A 440 9.236 -9.546 -0.724 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.156 -10.715 0.071 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.691 -9.000 -0.031 1.00 15.00 H new ATOM 196 N ALA A 441 9.261 -10.936 4.331 1.00 15.00 N ATOM 197 CA ALA A 441 9.633 -11.159 5.723 1.00 15.00 C ATOM 198 C ALA A 441 10.967 -10.502 6.110 1.00 15.00 C ATOM 199 O ALA A 441 11.393 -10.584 7.263 1.00 15.00 O ATOM 200 CB ALA A 441 9.658 -12.647 6.032 1.00 15.00 C ATOM 0 H ALA A 441 9.255 -11.773 3.748 1.00 15.00 H new ATOM 0 HA ALA A 441 8.868 -10.675 6.330 1.00 15.00 H new ATOM 0 HB1 ALA A 441 9.937 -12.797 7.075 1.00 15.00 H new ATOM 0 HB2 ALA A 441 8.670 -13.072 5.856 1.00 15.00 H new ATOM 0 HB3 ALA A 441 10.385 -13.140 5.387 1.00 15.00 H new ATOM 206 N ASP A 442 11.623 -9.849 5.156 1.00 15.00 N ATOM 207 CA ASP A 442 12.773 -9.007 5.463 1.00 15.00 C ATOM 208 C ASP A 442 12.274 -7.641 5.941 1.00 15.00 C ATOM 209 O ASP A 442 13.050 -6.754 6.291 1.00 15.00 O ATOM 210 CB ASP A 442 13.679 -8.855 4.241 1.00 15.00 C ATOM 211 CG ASP A 442 13.056 -8.006 3.157 1.00 15.00 C ATOM 212 OD1 ASP A 442 12.014 -8.405 2.604 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.612 -6.936 2.848 1.00 15.00 O ATOM 0 H ASP A 442 11.378 -9.887 4.166 1.00 15.00 H new ATOM 0 HA ASP A 442 13.363 -9.475 6.251 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.625 -8.409 4.548 1.00 15.00 H new ATOM 0 HB3 ASP A 442 13.908 -9.842 3.838 1.00 15.00 H new ATOM 218 N GLY A 443 10.954 -7.516 5.960 1.00 15.00 N ATOM 219 CA GLY A 443 10.277 -6.370 6.523 1.00 15.00 C ATOM 220 C GLY A 443 10.033 -5.283 5.515 1.00 15.00 C ATOM 221 O GLY A 443 9.895 -4.112 5.868 1.00 15.00 O ATOM 0 H GLY A 443 10.321 -8.219 5.579 1.00 15.00 H new ATOM 0 HA2 GLY A 443 9.324 -6.688 6.945 1.00 15.00 H new ATOM 0 HA3 GLY A 443 10.871 -5.970 7.345 1.00 15.00 H new ATOM 225 N LYS A 444 9.948 -5.669 4.258 1.00 15.00 N ATOM 226 CA LYS A 444 9.583 -4.736 3.221 1.00 15.00 C ATOM 227 C LYS A 444 8.092 -4.594 3.141 1.00 15.00 C ATOM 228 O LYS A 444 7.394 -5.515 2.722 1.00 15.00 O ATOM 229 CB LYS A 444 10.133 -5.160 1.874 1.00 15.00 C ATOM 230 CG LYS A 444 11.573 -4.790 1.736 1.00 15.00 C ATOM 231 CD LYS A 444 12.015 -4.758 0.289 1.00 15.00 C ATOM 232 CE LYS A 444 12.089 -6.152 -0.323 1.00 15.00 C ATOM 233 NZ LYS A 444 13.202 -6.951 0.246 1.00 15.00 N ATOM 0 H LYS A 444 10.127 -6.620 3.934 1.00 15.00 H new ATOM 0 HA LYS A 444 10.021 -3.772 3.479 1.00 15.00 H new ATOM 0 HB2 LYS A 444 10.019 -6.237 1.755 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.556 -4.689 1.078 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.741 -3.812 2.188 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.185 -5.505 2.286 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.321 -4.147 -0.287 1.00 15.00 H new ATOM 0 HD3 LYS A 444 12.993 -4.281 0.220 1.00 15.00 H new ATOM 0 HE2 LYS A 444 11.146 -6.672 -0.154 1.00 15.00 H new ATOM 0 HE3 LYS A 444 12.218 -6.068 -1.402 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 12.873 -7.920 0.433 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.991 -6.978 -0.431 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 13.523 -6.516 1.135 1.00 15.00 H new ATOM 247 N THR A 445 7.600 -3.454 3.562 1.00 15.00 N ATOM 248 CA THR A 445 6.187 -3.196 3.479 1.00 15.00 C ATOM 249 C THR A 445 5.911 -2.325 2.261 1.00 15.00 C ATOM 250 O THR A 445 5.948 -1.096 2.327 1.00 15.00 O ATOM 251 CB THR A 445 5.672 -2.503 4.754 1.00 15.00 C ATOM 252 OG1 THR A 445 6.211 -3.168 5.908 1.00 15.00 O ATOM 253 CG2 THR A 445 4.151 -2.534 4.814 1.00 15.00 C ATOM 0 H THR A 445 8.154 -2.697 3.962 1.00 15.00 H new ATOM 0 HA THR A 445 5.661 -4.146 3.382 1.00 15.00 H new ATOM 0 HB THR A 445 5.995 -1.462 4.738 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.886 -2.728 6.721 1.00 15.00 H new ATOM 0 HG21 THR A 445 3.813 -2.038 5.724 1.00 15.00 H new ATOM 0 HG22 THR A 445 3.742 -2.017 3.946 1.00 15.00 H new ATOM 0 HG23 THR A 445 3.808 -3.569 4.815 1.00 15.00 H new ATOM 261 N TYR A 446 5.684 -2.987 1.145 1.00 15.00 N ATOM 262 CA TYR A 446 5.292 -2.318 -0.087 1.00 15.00 C ATOM 263 C TYR A 446 3.797 -2.477 -0.326 1.00 15.00 C ATOM 264 O TYR A 446 3.216 -3.527 -0.042 1.00 15.00 O ATOM 265 CB TYR A 446 6.099 -2.863 -1.272 1.00 15.00 C ATOM 266 CG TYR A 446 6.012 -4.360 -1.477 1.00 15.00 C ATOM 267 CD1 TYR A 446 6.600 -5.244 -0.580 1.00 15.00 C ATOM 268 CD2 TYR A 446 5.353 -4.884 -2.580 1.00 15.00 C ATOM 269 CE1 TYR A 446 6.533 -6.608 -0.774 1.00 15.00 C ATOM 270 CE2 TYR A 446 5.278 -6.245 -2.784 1.00 15.00 C ATOM 271 CZ TYR A 446 5.869 -7.104 -1.879 1.00 15.00 C ATOM 272 OH TYR A 446 5.797 -8.462 -2.083 1.00 15.00 O ATOM 0 H TYR A 446 5.765 -4.000 1.062 1.00 15.00 H new ATOM 0 HA TYR A 446 5.508 -1.254 0.009 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.759 -2.368 -2.181 1.00 15.00 H new ATOM 0 HB3 TYR A 446 7.146 -2.592 -1.134 1.00 15.00 H new ATOM 0 HD1 TYR A 446 7.119 -4.856 0.284 1.00 15.00 H new ATOM 0 HD2 TYR A 446 4.891 -4.214 -3.290 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.996 -7.282 -0.068 1.00 15.00 H new ATOM 0 HE2 TYR A 446 4.760 -6.637 -3.647 1.00 15.00 H new ATOM 0 HH TYR A 446 5.295 -8.643 -2.905 1.00 15.00 H new ATOM 282 N TYR A 447 3.181 -1.436 -0.856 1.00 15.00 N ATOM 283 CA TYR A 447 1.741 -1.409 -1.018 1.00 15.00 C ATOM 284 C TYR A 447 1.321 -1.759 -2.435 1.00 15.00 C ATOM 285 O TYR A 447 1.615 -1.042 -3.391 1.00 15.00 O ATOM 286 CB TYR A 447 1.185 -0.044 -0.622 1.00 15.00 C ATOM 287 CG TYR A 447 1.486 0.318 0.813 1.00 15.00 C ATOM 288 CD1 TYR A 447 0.780 -0.271 1.854 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.480 1.236 1.129 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.049 0.046 3.167 1.00 15.00 C ATOM 291 CE2 TYR A 447 2.757 1.559 2.444 1.00 15.00 C ATOM 292 CZ TYR A 447 2.038 0.961 3.460 1.00 15.00 C ATOM 293 OH TYR A 447 2.303 1.281 4.773 1.00 15.00 O ATOM 0 H TYR A 447 3.659 -0.596 -1.182 1.00 15.00 H new ATOM 0 HA TYR A 447 1.326 -2.169 -0.356 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.604 0.718 -1.279 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.106 -0.039 -0.774 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.006 -0.990 1.630 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.044 1.704 0.336 1.00 15.00 H new ATOM 0 HE1 TYR A 447 0.488 -0.420 3.963 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.532 2.275 2.676 1.00 15.00 H new ATOM 0 HH TYR A 447 3.266 1.207 4.940 1.00 15.00 H new ATOM 303 N TYR A 448 0.637 -2.879 -2.544 1.00 15.00 N ATOM 304 CA TYR A 448 -0.001 -3.295 -3.772 1.00 15.00 C ATOM 305 C TYR A 448 -1.510 -3.128 -3.619 1.00 15.00 C ATOM 306 O TYR A 448 -2.144 -3.875 -2.901 1.00 15.00 O ATOM 307 CB TYR A 448 0.353 -4.754 -4.093 1.00 15.00 C ATOM 308 CG TYR A 448 -0.207 -5.267 -5.404 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.466 -5.852 -5.466 1.00 15.00 C ATOM 310 CD2 TYR A 448 0.531 -5.173 -6.576 1.00 15.00 C ATOM 311 CE1 TYR A 448 -1.975 -6.326 -6.660 1.00 15.00 C ATOM 312 CE2 TYR A 448 0.030 -5.646 -7.774 1.00 15.00 C ATOM 313 CZ TYR A 448 -1.222 -6.220 -7.812 1.00 15.00 C ATOM 314 OH TYR A 448 -1.719 -6.696 -9.007 1.00 15.00 O ATOM 0 H TYR A 448 0.508 -3.533 -1.772 1.00 15.00 H new ATOM 0 HA TYR A 448 0.352 -2.678 -4.598 1.00 15.00 H new ATOM 0 HB2 TYR A 448 1.438 -4.855 -4.113 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -0.011 -5.388 -3.285 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -2.057 -5.938 -4.566 1.00 15.00 H new ATOM 0 HD2 TYR A 448 1.512 -4.723 -6.551 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -2.956 -6.777 -6.692 1.00 15.00 H new ATOM 0 HE2 TYR A 448 0.617 -5.566 -8.677 1.00 15.00 H new ATOM 0 HH TYR A 448 -1.063 -6.542 -9.719 1.00 15.00 H new ATOM 324 N ASN A 449 -2.078 -2.140 -4.280 1.00 15.00 N ATOM 325 CA ASN A 449 -3.509 -1.835 -4.119 1.00 15.00 C ATOM 326 C ASN A 449 -4.322 -2.609 -5.104 1.00 15.00 C ATOM 327 O ASN A 449 -3.857 -2.924 -6.175 1.00 15.00 O ATOM 328 CB ASN A 449 -3.712 -0.336 -4.122 1.00 15.00 C ATOM 329 CG ASN A 449 -5.141 0.172 -4.410 1.00 15.00 C ATOM 330 OD1 ASN A 449 -5.895 -0.402 -5.194 1.00 15.00 O ATOM 331 ND2 ASN A 449 -5.495 1.300 -3.816 1.00 15.00 N ATOM 0 H ASN A 449 -1.585 -1.531 -4.933 1.00 15.00 H new ATOM 0 HA ASN A 449 -3.878 -2.169 -3.149 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.403 0.051 -3.151 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.042 0.096 -4.865 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -6.409 1.711 -4.005 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -4.854 1.759 -3.169 1.00 15.00 H new ATOM 338 N ASN A 450 -5.532 -2.951 -4.708 1.00 15.00 N ATOM 339 CA ASN A 450 -6.244 -4.034 -5.345 1.00 15.00 C ATOM 340 C ASN A 450 -7.444 -3.566 -6.166 1.00 15.00 C ATOM 341 O ASN A 450 -8.122 -4.382 -6.791 1.00 15.00 O ATOM 342 CB ASN A 450 -6.651 -5.049 -4.276 1.00 15.00 C ATOM 343 CG ASN A 450 -7.452 -4.433 -3.125 1.00 15.00 C ATOM 344 OD1 ASN A 450 -8.666 -4.279 -3.241 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.817 -4.107 -1.984 1.00 15.00 N ATOM 0 H ASN A 450 -6.039 -2.494 -3.950 1.00 15.00 H new ATOM 0 HA ASN A 450 -5.575 -4.504 -6.066 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -7.244 -5.837 -4.741 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.755 -5.520 -3.873 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.344 -3.726 -1.198 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -5.809 -4.241 -1.905 1.00 15.00 H new ATOM 352 N ARG A 451 -7.699 -2.265 -6.197 1.00 15.00 N ATOM 353 CA ARG A 451 -8.743 -1.735 -7.072 1.00 15.00 C ATOM 354 C ARG A 451 -8.129 -1.060 -8.291 1.00 15.00 C ATOM 355 O ARG A 451 -8.751 -0.967 -9.345 1.00 15.00 O ATOM 356 CB ARG A 451 -9.656 -0.744 -6.347 1.00 15.00 C ATOM 357 CG ARG A 451 -8.929 0.457 -5.774 1.00 15.00 C ATOM 358 CD ARG A 451 -9.893 1.580 -5.431 1.00 15.00 C ATOM 359 NE ARG A 451 -10.440 2.219 -6.621 1.00 15.00 N ATOM 360 CZ ARG A 451 -10.531 3.538 -6.778 1.00 15.00 C ATOM 361 NH1 ARG A 451 -10.108 4.361 -5.820 1.00 15.00 N ATOM 362 NH2 ARG A 451 -11.024 4.037 -7.902 1.00 15.00 N ATOM 0 H ARG A 451 -7.209 -1.566 -5.639 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.350 -2.583 -7.389 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -10.421 -0.396 -7.041 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -10.171 -1.264 -5.539 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -8.382 0.160 -4.879 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -8.193 0.815 -6.493 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -10.709 1.184 -4.826 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -9.379 2.325 -4.824 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.772 1.621 -7.378 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -9.712 3.982 -4.960 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -10.180 5.371 -5.946 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -11.333 3.411 -8.646 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -11.094 5.047 -8.024 1.00 15.00 H new ATOM 376 N THR A 452 -6.916 -0.563 -8.126 1.00 15.00 N ATOM 377 CA THR A 452 -6.218 0.108 -9.210 1.00 15.00 C ATOM 378 C THR A 452 -4.873 -0.571 -9.466 1.00 15.00 C ATOM 379 O THR A 452 -4.177 -0.267 -10.434 1.00 15.00 O ATOM 380 CB THR A 452 -6.005 1.592 -8.868 1.00 15.00 C ATOM 381 OG1 THR A 452 -7.182 2.126 -8.245 1.00 15.00 O ATOM 382 CG2 THR A 452 -5.682 2.405 -10.110 1.00 15.00 C ATOM 0 H THR A 452 -6.393 -0.611 -7.252 1.00 15.00 H new ATOM 0 HA THR A 452 -6.825 0.041 -10.113 1.00 15.00 H new ATOM 0 HB THR A 452 -5.160 1.657 -8.182 1.00 15.00 H new ATOM 0 HG1 THR A 452 -6.929 2.848 -7.633 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.537 3.449 -9.834 1.00 15.00 H new ATOM 0 HG22 THR A 452 -4.771 2.021 -10.569 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.506 2.328 -10.820 1.00 15.00 H new ATOM 390 N LEU A 453 -4.543 -1.506 -8.576 1.00 15.00 N ATOM 391 CA LEU A 453 -3.325 -2.320 -8.636 1.00 15.00 C ATOM 392 C LEU A 453 -2.049 -1.508 -8.821 1.00 15.00 C ATOM 393 O LEU A 453 -1.634 -1.160 -9.927 1.00 15.00 O ATOM 394 CB LEU A 453 -3.427 -3.522 -9.589 1.00 15.00 C ATOM 395 CG LEU A 453 -4.042 -3.275 -10.973 1.00 15.00 C ATOM 396 CD1 LEU A 453 -3.444 -4.231 -11.996 1.00 15.00 C ATOM 397 CD2 LEU A 453 -5.556 -3.450 -10.923 1.00 15.00 C ATOM 0 H LEU A 453 -5.130 -1.726 -7.771 1.00 15.00 H new ATOM 0 HA LEU A 453 -3.240 -2.755 -7.640 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -2.424 -3.924 -9.733 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -4.013 -4.296 -9.093 1.00 15.00 H new ATOM 0 HG LEU A 453 -3.816 -2.251 -11.271 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -3.890 -4.044 -12.973 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -2.367 -4.076 -12.053 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -3.647 -5.259 -11.695 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -5.976 -3.271 -11.913 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -5.795 -4.465 -10.606 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -5.981 -2.739 -10.215 1.00 15.00 H new ATOM 409 N TYR A 454 -1.450 -1.222 -7.678 1.00 15.00 N ATOM 410 CA TYR A 454 -0.218 -0.442 -7.573 1.00 15.00 C ATOM 411 C TYR A 454 0.865 -1.320 -7.002 1.00 15.00 C ATOM 412 O TYR A 454 0.567 -2.171 -6.179 1.00 15.00 O ATOM 413 CB TYR A 454 -0.388 0.693 -6.562 1.00 15.00 C ATOM 414 CG TYR A 454 -1.564 1.587 -6.768 1.00 15.00 C ATOM 415 CD1 TYR A 454 -2.775 1.129 -6.391 1.00 15.00 C ATOM 416 CD2 TYR A 454 -1.466 2.876 -7.262 1.00 15.00 C ATOM 417 CE1 TYR A 454 -3.893 1.878 -6.473 1.00 15.00 C ATOM 418 CE2 TYR A 454 -2.588 3.675 -7.357 1.00 15.00 C ATOM 419 CZ TYR A 454 -3.815 3.170 -6.956 1.00 15.00 C ATOM 420 OH TYR A 454 -4.947 3.948 -7.050 1.00 15.00 O ATOM 0 H TYR A 454 -1.810 -1.530 -6.775 1.00 15.00 H new ATOM 0 HA TYR A 454 0.023 -0.059 -8.565 1.00 15.00 H new ATOM 0 HB2 TYR A 454 -0.460 0.257 -5.566 1.00 15.00 H new ATOM 0 HB3 TYR A 454 0.514 1.304 -6.578 1.00 15.00 H new ATOM 0 HD1 TYR A 454 -2.852 0.122 -6.008 1.00 15.00 H new ATOM 0 HD2 TYR A 454 -0.506 3.259 -7.575 1.00 15.00 H new ATOM 0 HE1 TYR A 454 -4.844 1.470 -6.163 1.00 15.00 H new ATOM 0 HE2 TYR A 454 -2.511 4.682 -7.739 1.00 15.00 H new ATOM 0 HH TYR A 454 -4.710 4.829 -7.409 1.00 15.00 H new ATOM 430 N SER A 455 2.101 -1.103 -7.390 1.00 15.00 N ATOM 431 CA SER A 455 3.209 -1.588 -6.596 1.00 15.00 C ATOM 432 C SER A 455 4.017 -0.397 -6.119 1.00 15.00 C ATOM 433 O SER A 455 4.919 0.090 -6.805 1.00 15.00 O ATOM 434 CB SER A 455 4.071 -2.594 -7.347 1.00 15.00 C ATOM 435 OG SER A 455 4.441 -2.104 -8.625 1.00 15.00 O ATOM 0 H SER A 455 2.364 -0.601 -8.238 1.00 15.00 H new ATOM 0 HA SER A 455 2.816 -2.131 -5.737 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.967 -2.813 -6.766 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.526 -3.531 -7.459 1.00 15.00 H new ATOM 0 HG SER A 455 4.749 -1.177 -8.543 1.00 15.00 H new ATOM 441 N THR A 456 3.631 0.098 -4.966 1.00 15.00 N ATOM 442 CA THR A 456 4.158 1.343 -4.441 1.00 15.00 C ATOM 443 C THR A 456 4.944 1.094 -3.159 1.00 15.00 C ATOM 444 O THR A 456 4.376 0.746 -2.127 1.00 15.00 O ATOM 445 CB THR A 456 3.005 2.333 -4.177 1.00 15.00 C ATOM 446 OG1 THR A 456 2.067 2.273 -5.259 1.00 15.00 O ATOM 447 CG2 THR A 456 3.513 3.760 -4.043 1.00 15.00 C ATOM 0 H THR A 456 2.942 -0.350 -4.362 1.00 15.00 H new ATOM 0 HA THR A 456 4.834 1.774 -5.179 1.00 15.00 H new ATOM 0 HB THR A 456 2.527 2.048 -3.240 1.00 15.00 H new ATOM 0 HG1 THR A 456 1.333 2.901 -5.091 1.00 15.00 H new ATOM 0 HG21 THR A 456 2.673 4.429 -3.858 1.00 15.00 H new ATOM 0 HG22 THR A 456 4.215 3.820 -3.211 1.00 15.00 H new ATOM 0 HG23 THR A 456 4.016 4.055 -4.964 1.00 15.00 H new ATOM 455 N TRP A 457 6.257 1.257 -3.237 1.00 15.00 N ATOM 456 CA TRP A 457 7.136 1.015 -2.094 1.00 15.00 C ATOM 457 C TRP A 457 7.090 2.159 -1.093 1.00 15.00 C ATOM 458 O TRP A 457 7.758 2.119 -0.058 1.00 15.00 O ATOM 459 CB TRP A 457 8.575 0.794 -2.566 1.00 15.00 C ATOM 460 CG TRP A 457 8.745 -0.408 -3.452 1.00 15.00 C ATOM 461 CD1 TRP A 457 8.589 -0.463 -4.809 1.00 15.00 C ATOM 462 CD2 TRP A 457 9.110 -1.728 -3.038 1.00 15.00 C ATOM 463 NE1 TRP A 457 8.827 -1.741 -5.258 1.00 15.00 N ATOM 464 CE2 TRP A 457 9.151 -2.533 -4.192 1.00 15.00 C ATOM 465 CE3 TRP A 457 9.407 -2.308 -1.804 1.00 15.00 C ATOM 466 CZ2 TRP A 457 9.474 -3.884 -4.146 1.00 15.00 C ATOM 467 CZ3 TRP A 457 9.727 -3.650 -1.762 1.00 15.00 C ATOM 468 CH2 TRP A 457 9.759 -4.425 -2.926 1.00 15.00 C ATOM 0 H TRP A 457 6.742 1.557 -4.083 1.00 15.00 H new ATOM 0 HA TRP A 457 6.777 0.116 -1.592 1.00 15.00 H new ATOM 0 HB2 TRP A 457 8.911 1.681 -3.104 1.00 15.00 H new ATOM 0 HB3 TRP A 457 9.221 0.686 -1.695 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.319 0.374 -5.436 1.00 15.00 H new ATOM 0 HE1 TRP A 457 8.771 -2.048 -6.229 1.00 15.00 H new ATOM 0 HE3 TRP A 457 9.387 -1.718 -0.899 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 9.499 -4.484 -5.044 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.957 -4.110 -0.812 1.00 15.00 H new ATOM 0 HH2 TRP A 457 10.014 -5.472 -2.858 1.00 15.00 H new ATOM 479 N GLU A 458 6.295 3.165 -1.394 1.00 15.00 N ATOM 480 CA GLU A 458 6.181 4.316 -0.529 1.00 15.00 C ATOM 481 C GLU A 458 4.736 4.491 -0.079 1.00 15.00 C ATOM 482 O GLU A 458 3.808 4.102 -0.788 1.00 15.00 O ATOM 483 CB GLU A 458 6.677 5.562 -1.255 1.00 15.00 C ATOM 484 CG GLU A 458 5.876 5.921 -2.491 1.00 15.00 C ATOM 485 CD GLU A 458 6.307 7.240 -3.094 1.00 15.00 C ATOM 486 OE1 GLU A 458 5.894 8.293 -2.574 1.00 15.00 O ATOM 487 OE2 GLU A 458 7.055 7.232 -4.092 1.00 15.00 O ATOM 0 H GLU A 458 5.718 3.207 -2.234 1.00 15.00 H new ATOM 0 HA GLU A 458 6.799 4.163 0.356 1.00 15.00 H new ATOM 0 HB2 GLU A 458 6.655 6.405 -0.564 1.00 15.00 H new ATOM 0 HB3 GLU A 458 7.718 5.412 -1.541 1.00 15.00 H new ATOM 0 HG2 GLU A 458 5.986 5.131 -3.234 1.00 15.00 H new ATOM 0 HG3 GLU A 458 4.818 5.971 -2.233 1.00 15.00 H new ATOM 494 N LYS A 459 4.550 5.075 1.095 1.00 15.00 N ATOM 495 CA LYS A 459 3.218 5.268 1.648 1.00 15.00 C ATOM 496 C LYS A 459 2.514 6.429 0.948 1.00 15.00 C ATOM 497 O LYS A 459 2.981 7.568 0.992 1.00 15.00 O ATOM 498 CB LYS A 459 3.301 5.537 3.151 1.00 15.00 C ATOM 499 CG LYS A 459 1.997 5.283 3.893 1.00 15.00 C ATOM 500 CD LYS A 459 2.090 5.690 5.359 1.00 15.00 C ATOM 501 CE LYS A 459 3.263 5.025 6.068 1.00 15.00 C ATOM 502 NZ LYS A 459 3.149 3.543 6.083 1.00 15.00 N ATOM 0 H LYS A 459 5.306 5.424 1.684 1.00 15.00 H new ATOM 0 HA LYS A 459 2.641 4.358 1.484 1.00 15.00 H new ATOM 0 HB2 LYS A 459 4.081 4.909 3.581 1.00 15.00 H new ATOM 0 HB3 LYS A 459 3.603 6.572 3.309 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.191 5.838 3.412 1.00 15.00 H new ATOM 0 HG3 LYS A 459 1.740 4.226 3.825 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.193 6.773 5.428 1.00 15.00 H new ATOM 0 HD3 LYS A 459 1.163 5.425 5.867 1.00 15.00 H new ATOM 0 HE2 LYS A 459 4.192 5.310 5.574 1.00 15.00 H new ATOM 0 HE3 LYS A 459 3.321 5.393 7.092 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 4.082 3.125 6.273 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 2.482 3.254 6.827 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 2.803 3.212 5.160 1.00 15.00 H new ATOM 516 N PRO A 460 1.386 6.144 0.285 1.00 15.00 N ATOM 517 CA PRO A 460 0.597 7.160 -0.425 1.00 15.00 C ATOM 518 C PRO A 460 -0.027 8.178 0.528 1.00 15.00 C ATOM 519 O PRO A 460 -0.398 7.842 1.656 1.00 15.00 O ATOM 520 CB PRO A 460 -0.494 6.340 -1.120 1.00 15.00 C ATOM 521 CG PRO A 460 -0.592 5.082 -0.336 1.00 15.00 C ATOM 522 CD PRO A 460 0.791 4.802 0.169 1.00 15.00 C ATOM 0 HA PRO A 460 1.209 7.747 -1.110 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.444 6.874 -1.128 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -0.233 6.138 -2.159 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.295 5.191 0.490 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.954 4.262 -0.957 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.772 4.286 1.129 1.00 15.00 H new ATOM 0 HD3 PRO A 460 1.352 4.171 -0.521 1.00 15.00 H new ATOM 530 N GLN A 461 -0.181 9.410 0.053 1.00 15.00 N ATOM 531 CA GLN A 461 -0.709 10.497 0.874 1.00 15.00 C ATOM 532 C GLN A 461 -2.173 10.255 1.242 1.00 15.00 C ATOM 533 O GLN A 461 -2.665 10.779 2.240 1.00 15.00 O ATOM 534 CB GLN A 461 -0.572 11.837 0.148 1.00 15.00 C ATOM 535 CG GLN A 461 0.869 12.237 -0.135 1.00 15.00 C ATOM 536 CD GLN A 461 1.689 12.395 1.132 1.00 15.00 C ATOM 537 OE1 GLN A 461 2.297 11.440 1.613 1.00 15.00 O ATOM 538 NE2 GLN A 461 1.718 13.601 1.674 1.00 15.00 N ATOM 0 H GLN A 461 0.054 9.683 -0.902 1.00 15.00 H new ATOM 0 HA GLN A 461 -0.124 10.528 1.793 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -1.117 11.787 -0.795 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -1.044 12.615 0.748 1.00 15.00 H new ATOM 0 HG2 GLN A 461 1.333 11.484 -0.772 1.00 15.00 H new ATOM 0 HG3 GLN A 461 0.880 13.175 -0.690 1.00 15.00 H new ATOM 0 HE21 GLN A 461 1.199 14.366 1.243 1.00 15.00 H new ATOM 0 HE22 GLN A 461 2.259 13.766 2.523 1.00 15.00 H new ATOM 547 N GLU A 462 -2.866 9.470 0.423 1.00 15.00 N ATOM 548 CA GLU A 462 -4.265 9.141 0.668 1.00 15.00 C ATOM 549 C GLU A 462 -4.387 8.050 1.726 1.00 15.00 C ATOM 550 O GLU A 462 -5.474 7.771 2.235 1.00 15.00 O ATOM 551 CB GLU A 462 -4.970 8.699 -0.627 1.00 15.00 C ATOM 552 CG GLU A 462 -4.267 7.577 -1.387 1.00 15.00 C ATOM 553 CD GLU A 462 -3.248 8.076 -2.397 1.00 15.00 C ATOM 554 OE1 GLU A 462 -2.313 8.805 -2.005 1.00 15.00 O ATOM 555 OE2 GLU A 462 -3.363 7.728 -3.587 1.00 15.00 O ATOM 0 H GLU A 462 -2.478 9.048 -0.421 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.755 10.043 1.034 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -5.981 8.374 -0.381 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -5.064 9.562 -1.286 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -3.768 6.922 -0.673 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.014 6.975 -1.904 1.00 15.00 H new ATOM 562 N LEU A 463 -3.264 7.432 2.056 1.00 15.00 N ATOM 563 CA LEU A 463 -3.249 6.370 3.046 1.00 15.00 C ATOM 564 C LEU A 463 -2.861 6.941 4.407 1.00 15.00 C ATOM 565 O LEU A 463 -2.899 6.247 5.423 1.00 15.00 O ATOM 566 CB LEU A 463 -2.264 5.275 2.630 1.00 15.00 C ATOM 567 CG LEU A 463 -2.529 3.891 3.223 1.00 15.00 C ATOM 568 CD1 LEU A 463 -3.699 3.220 2.523 1.00 15.00 C ATOM 569 CD2 LEU A 463 -1.279 3.030 3.140 1.00 15.00 C ATOM 0 H LEU A 463 -2.352 7.648 1.653 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.245 5.932 3.115 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -2.276 5.194 1.543 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.259 5.587 2.915 1.00 15.00 H new ATOM 0 HG LEU A 463 -2.792 4.011 4.274 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.870 2.237 2.961 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.594 3.831 2.643 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.474 3.111 1.462 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.485 2.048 3.566 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -0.983 2.918 2.097 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.472 3.506 3.697 1.00 15.00 H new ATOM 581 N LYS A 464 -2.487 8.215 4.413 1.00 15.00 N ATOM 582 CA LYS A 464 -2.096 8.896 5.637 1.00 15.00 C ATOM 583 C LYS A 464 -3.285 9.654 6.211 1.00 15.00 C ATOM 584 O LYS A 464 -4.113 9.022 6.893 1.00 15.00 O ATOM 585 CB LYS A 464 -0.938 9.860 5.367 1.00 15.00 C ATOM 586 CG LYS A 464 0.331 9.175 4.882 1.00 15.00 C ATOM 587 CD LYS A 464 1.446 10.171 4.586 1.00 15.00 C ATOM 588 CE LYS A 464 1.990 10.842 5.846 1.00 15.00 C ATOM 589 NZ LYS A 464 1.085 11.899 6.376 1.00 15.00 N ATOM 590 OXT LYS A 464 -3.399 10.867 5.962 1.00 15.00 O ATOM 0 H LYS A 464 -2.447 8.799 3.577 1.00 15.00 H new ATOM 0 HA LYS A 464 -1.765 8.151 6.361 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -1.252 10.591 4.622 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -0.716 10.411 6.281 1.00 15.00 H new ATOM 0 HG2 LYS A 464 0.670 8.466 5.637 1.00 15.00 H new ATOM 0 HG3 LYS A 464 0.111 8.601 3.982 1.00 15.00 H new ATOM 0 HD2 LYS A 464 2.259 9.657 4.073 1.00 15.00 H new ATOM 0 HD3 LYS A 464 1.073 10.936 3.905 1.00 15.00 H new ATOM 0 HE2 LYS A 464 2.147 10.086 6.615 1.00 15.00 H new ATOM 0 HE3 LYS A 464 2.963 11.281 5.627 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 1.648 12.722 6.672 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 0.415 12.187 5.634 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 0.558 11.528 7.192 1.00 15.00 H new TER 604 LYS A 464