USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 281 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= -5.13! C(o=-9.6!,f=-13!) USER MOD Set 1.2: A 452 THR OG1 : rot -13:sc= -4.46! USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= -0.0784 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ -159:sc= -7.08! (180deg=-7.74!) USER MOD Single : A 440 THR OG1 : rot 171:sc= 0.0234 USER MOD Single : A 444 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.05) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0.0662 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 28:sc= 1.26 USER MOD Single : A 450 ASN : amide:sc= 0.321 X(o=0.32,f=-0.0066) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.00695 USER MOD Single : A 459 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.16) USER MOD Single : A 461 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3.7!) USER MOD Single : A 464 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 0.397 8.867 3.326 1.00 15.00 N ATOM 2 CA GLY A 428 0.167 10.012 2.415 1.00 15.00 C ATOM 3 C GLY A 428 -1.305 10.221 2.150 1.00 15.00 C ATOM 4 O GLY A 428 -1.877 11.241 2.542 1.00 15.00 O ATOM 0 HA2 GLY A 428 0.591 10.916 2.851 1.00 15.00 H new ATOM 0 HA3 GLY A 428 0.686 9.839 1.473 1.00 15.00 H new ATOM 10 N ALA A 429 -1.924 9.256 1.495 1.00 15.00 N ATOM 11 CA ALA A 429 -3.357 9.288 1.266 1.00 15.00 C ATOM 12 C ALA A 429 -4.000 8.078 1.925 1.00 15.00 C ATOM 13 O ALA A 429 -3.342 7.060 2.125 1.00 15.00 O ATOM 14 CB ALA A 429 -3.663 9.317 -0.223 1.00 15.00 C ATOM 0 H ALA A 429 -1.454 8.436 1.110 1.00 15.00 H new ATOM 0 HA ALA A 429 -3.769 10.195 1.707 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -4.742 9.341 -0.372 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -3.215 10.205 -0.669 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -3.251 8.426 -0.697 1.00 15.00 H new ATOM 20 N THR A 430 -5.267 8.191 2.281 1.00 15.00 N ATOM 21 CA THR A 430 -5.956 7.096 2.949 1.00 15.00 C ATOM 22 C THR A 430 -6.715 6.232 1.942 1.00 15.00 C ATOM 23 O THR A 430 -7.108 5.105 2.245 1.00 15.00 O ATOM 24 CB THR A 430 -6.919 7.630 4.028 1.00 15.00 C ATOM 25 OG1 THR A 430 -6.275 8.677 4.772 1.00 15.00 O ATOM 26 CG2 THR A 430 -7.331 6.519 4.983 1.00 15.00 C ATOM 0 H THR A 430 -5.838 9.021 2.122 1.00 15.00 H new ATOM 0 HA THR A 430 -5.203 6.476 3.435 1.00 15.00 H new ATOM 0 HB THR A 430 -7.810 8.016 3.533 1.00 15.00 H new ATOM 0 HG1 THR A 430 -6.889 9.017 5.456 1.00 15.00 H new ATOM 0 HG21 THR A 430 -8.010 6.919 5.736 1.00 15.00 H new ATOM 0 HG22 THR A 430 -7.832 5.728 4.426 1.00 15.00 H new ATOM 0 HG23 THR A 430 -6.446 6.113 5.473 1.00 15.00 H new ATOM 34 N ALA A 431 -6.897 6.778 0.742 1.00 15.00 N ATOM 35 CA ALA A 431 -7.560 6.082 -0.366 1.00 15.00 C ATOM 36 C ALA A 431 -8.831 5.356 0.079 1.00 15.00 C ATOM 37 O ALA A 431 -8.836 4.133 0.217 1.00 15.00 O ATOM 38 CB ALA A 431 -6.597 5.109 -1.033 1.00 15.00 C ATOM 0 H ALA A 431 -6.588 7.721 0.506 1.00 15.00 H new ATOM 0 HA ALA A 431 -7.861 6.841 -1.088 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -7.104 4.600 -1.853 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -5.738 5.656 -1.421 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -6.259 4.373 -0.303 1.00 15.00 H new ATOM 44 N VAL A 432 -9.893 6.137 0.314 1.00 15.00 N ATOM 45 CA VAL A 432 -11.193 5.641 0.806 1.00 15.00 C ATOM 46 C VAL A 432 -11.039 4.610 1.920 1.00 15.00 C ATOM 47 O VAL A 432 -11.781 3.629 2.012 1.00 15.00 O ATOM 48 CB VAL A 432 -12.119 5.112 -0.329 1.00 15.00 C ATOM 49 CG1 VAL A 432 -12.434 6.223 -1.317 1.00 15.00 C ATOM 50 CG2 VAL A 432 -11.515 3.920 -1.059 1.00 15.00 C ATOM 0 H VAL A 432 -9.877 7.146 0.167 1.00 15.00 H new ATOM 0 HA VAL A 432 -11.690 6.513 1.232 1.00 15.00 H new ATOM 0 HB VAL A 432 -13.041 4.773 0.143 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -13.082 5.837 -2.104 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -12.939 7.038 -0.799 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -11.508 6.591 -1.758 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -12.198 3.588 -1.841 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -10.565 4.211 -1.507 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -11.349 3.107 -0.353 1.00 15.00 H new ATOM 60 N SER A 433 -10.102 4.928 2.794 1.00 15.00 N ATOM 61 CA SER A 433 -9.729 4.114 3.960 1.00 15.00 C ATOM 62 C SER A 433 -9.353 2.676 3.611 1.00 15.00 C ATOM 63 O SER A 433 -9.206 1.822 4.488 1.00 15.00 O ATOM 64 CB SER A 433 -10.858 4.124 4.996 1.00 15.00 C ATOM 65 OG SER A 433 -11.252 5.451 5.331 1.00 15.00 O ATOM 0 H SER A 433 -9.556 5.786 2.719 1.00 15.00 H new ATOM 0 HA SER A 433 -8.833 4.574 4.376 1.00 15.00 H new ATOM 0 HB2 SER A 433 -11.716 3.577 4.605 1.00 15.00 H new ATOM 0 HB3 SER A 433 -10.531 3.603 5.896 1.00 15.00 H new ATOM 0 HG SER A 433 -11.975 5.421 5.992 1.00 15.00 H new ATOM 71 N GLU A 434 -9.160 2.428 2.345 1.00 15.00 N ATOM 72 CA GLU A 434 -8.875 1.083 1.867 1.00 15.00 C ATOM 73 C GLU A 434 -7.375 0.813 1.837 1.00 15.00 C ATOM 74 O GLU A 434 -6.929 -0.308 2.105 1.00 15.00 O ATOM 75 CB GLU A 434 -9.482 0.846 0.485 1.00 15.00 C ATOM 76 CG GLU A 434 -9.717 -0.622 0.181 1.00 15.00 C ATOM 77 CD GLU A 434 -10.395 -0.840 -1.150 1.00 15.00 C ATOM 78 OE1 GLU A 434 -9.773 -0.563 -2.194 1.00 15.00 O ATOM 79 OE2 GLU A 434 -11.550 -1.303 -1.159 1.00 15.00 O ATOM 0 H GLU A 434 -9.193 3.138 1.613 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.335 0.387 2.568 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -10.429 1.381 0.414 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.821 1.266 -0.273 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.762 -1.148 0.188 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -10.328 -1.059 0.971 1.00 15.00 H new ATOM 86 N TRP A 435 -6.608 1.841 1.499 1.00 15.00 N ATOM 87 CA TRP A 435 -5.173 1.700 1.294 1.00 15.00 C ATOM 88 C TRP A 435 -4.392 2.541 2.296 1.00 15.00 C ATOM 89 O TRP A 435 -4.844 3.599 2.722 1.00 15.00 O ATOM 90 CB TRP A 435 -4.788 2.145 -0.122 1.00 15.00 C ATOM 91 CG TRP A 435 -5.285 1.254 -1.223 1.00 15.00 C ATOM 92 CD1 TRP A 435 -6.496 1.317 -1.854 1.00 15.00 C ATOM 93 CD2 TRP A 435 -4.568 0.180 -1.843 1.00 15.00 C ATOM 94 NE1 TRP A 435 -6.575 0.341 -2.817 1.00 15.00 N ATOM 95 CE2 TRP A 435 -5.407 -0.370 -2.830 1.00 15.00 C ATOM 96 CE3 TRP A 435 -3.298 -0.376 -1.653 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -5.016 -1.443 -3.627 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -2.911 -1.441 -2.445 1.00 15.00 C ATOM 99 CH2 TRP A 435 -3.769 -1.966 -3.421 1.00 15.00 C ATOM 0 H TRP A 435 -6.959 2.788 1.360 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.925 0.648 1.434 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -5.172 3.151 -0.288 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -3.701 2.204 -0.185 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -7.276 2.029 -1.628 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -7.377 0.173 -3.425 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -2.632 0.020 -0.901 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -5.674 -1.848 -4.381 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -1.932 -1.875 -2.309 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -3.439 -2.800 -4.022 1.00 15.00 H new ATOM 110 N THR A 436 -3.219 2.064 2.664 1.00 15.00 N ATOM 111 CA THR A 436 -2.287 2.839 3.468 1.00 15.00 C ATOM 112 C THR A 436 -0.865 2.423 3.124 1.00 15.00 C ATOM 113 O THR A 436 -0.624 1.259 2.818 1.00 15.00 O ATOM 114 CB THR A 436 -2.519 2.624 4.971 1.00 15.00 C ATOM 115 OG1 THR A 436 -3.925 2.607 5.254 1.00 15.00 O ATOM 116 CG2 THR A 436 -1.857 3.728 5.785 1.00 15.00 C ATOM 0 H THR A 436 -2.884 1.133 2.417 1.00 15.00 H new ATOM 0 HA THR A 436 -2.447 3.894 3.245 1.00 15.00 H new ATOM 0 HB THR A 436 -2.076 1.667 5.248 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.064 2.468 6.214 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.035 3.554 6.846 1.00 15.00 H new ATOM 0 HG22 THR A 436 -0.784 3.729 5.592 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.277 4.692 5.500 1.00 15.00 H new ATOM 124 N GLU A 437 0.070 3.352 3.157 1.00 15.00 N ATOM 125 CA GLU A 437 1.450 3.016 2.855 1.00 15.00 C ATOM 126 C GLU A 437 2.314 3.151 4.109 1.00 15.00 C ATOM 127 O GLU A 437 2.284 4.165 4.804 1.00 15.00 O ATOM 128 CB GLU A 437 1.981 3.854 1.667 1.00 15.00 C ATOM 129 CG GLU A 437 2.540 5.236 1.992 1.00 15.00 C ATOM 130 CD GLU A 437 1.558 6.174 2.665 1.00 15.00 C ATOM 131 OE1 GLU A 437 0.429 6.341 2.164 1.00 15.00 O ATOM 132 OE2 GLU A 437 1.929 6.777 3.694 1.00 15.00 O ATOM 0 H GLU A 437 -0.095 4.332 3.386 1.00 15.00 H new ATOM 0 HA GLU A 437 1.501 1.974 2.540 1.00 15.00 H new ATOM 0 HB2 GLU A 437 2.763 3.280 1.170 1.00 15.00 H new ATOM 0 HB3 GLU A 437 1.170 3.976 0.949 1.00 15.00 H new ATOM 0 HG2 GLU A 437 3.410 5.118 2.638 1.00 15.00 H new ATOM 0 HG3 GLU A 437 2.889 5.698 1.069 1.00 15.00 H new ATOM 139 N TYR A 438 3.053 2.101 4.419 1.00 15.00 N ATOM 140 CA TYR A 438 3.890 2.081 5.609 1.00 15.00 C ATOM 141 C TYR A 438 5.353 1.986 5.218 1.00 15.00 C ATOM 142 O TYR A 438 5.700 1.287 4.269 1.00 15.00 O ATOM 143 CB TYR A 438 3.520 0.896 6.503 1.00 15.00 C ATOM 144 CG TYR A 438 2.108 0.949 7.038 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.803 1.723 8.150 1.00 15.00 C ATOM 146 CD2 TYR A 438 1.087 0.221 6.442 1.00 15.00 C ATOM 147 CE1 TYR A 438 0.517 1.770 8.653 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.200 0.264 6.938 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.481 1.039 8.043 1.00 15.00 C ATOM 150 OH TYR A 438 -1.763 1.074 8.543 1.00 15.00 O ATOM 0 H TYR A 438 3.092 1.247 3.862 1.00 15.00 H new ATOM 0 HA TYR A 438 3.725 3.006 6.161 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.649 -0.027 5.938 1.00 15.00 H new ATOM 0 HB3 TYR A 438 4.215 0.856 7.342 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.583 2.297 8.629 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.303 -0.388 5.577 1.00 15.00 H new ATOM 0 HE1 TYR A 438 0.294 2.376 9.519 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.984 -0.307 6.463 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.343 0.504 7.996 1.00 15.00 H new ATOM 160 N LYS A 439 6.207 2.672 5.960 1.00 15.00 N ATOM 161 CA LYS A 439 7.638 2.628 5.701 1.00 15.00 C ATOM 162 C LYS A 439 8.263 1.488 6.500 1.00 15.00 C ATOM 163 O LYS A 439 8.075 1.380 7.712 1.00 15.00 O ATOM 164 CB LYS A 439 8.297 3.964 6.072 1.00 15.00 C ATOM 165 CG LYS A 439 9.733 4.126 5.565 1.00 15.00 C ATOM 166 CD LYS A 439 9.809 4.451 4.064 1.00 15.00 C ATOM 167 CE LYS A 439 9.523 5.923 3.747 1.00 15.00 C ATOM 168 NZ LYS A 439 8.303 6.454 4.415 1.00 15.00 N ATOM 0 H LYS A 439 5.936 3.265 6.745 1.00 15.00 H new ATOM 0 HA LYS A 439 7.801 2.455 4.637 1.00 15.00 H new ATOM 0 HB2 LYS A 439 7.690 4.777 5.673 1.00 15.00 H new ATOM 0 HB3 LYS A 439 8.294 4.067 7.157 1.00 15.00 H new ATOM 0 HG2 LYS A 439 10.223 4.920 6.128 1.00 15.00 H new ATOM 0 HG3 LYS A 439 10.287 3.208 5.760 1.00 15.00 H new ATOM 0 HD2 LYS A 439 10.801 4.193 3.693 1.00 15.00 H new ATOM 0 HD3 LYS A 439 9.095 3.826 3.527 1.00 15.00 H new ATOM 0 HE2 LYS A 439 10.381 6.523 4.048 1.00 15.00 H new ATOM 0 HE3 LYS A 439 9.415 6.039 2.669 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 7.968 7.297 3.907 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 7.559 5.727 4.408 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 8.528 6.709 5.398 1.00 15.00 H new ATOM 182 N THR A 440 9.011 0.660 5.806 1.00 15.00 N ATOM 183 CA THR A 440 9.670 -0.493 6.383 1.00 15.00 C ATOM 184 C THR A 440 11.050 -0.107 6.884 1.00 15.00 C ATOM 185 O THR A 440 11.627 0.862 6.404 1.00 15.00 O ATOM 186 CB THR A 440 9.790 -1.628 5.349 1.00 15.00 C ATOM 187 OG1 THR A 440 10.270 -1.102 4.105 1.00 15.00 O ATOM 188 CG2 THR A 440 8.452 -2.318 5.137 1.00 15.00 C ATOM 0 H THR A 440 9.182 0.770 4.807 1.00 15.00 H new ATOM 0 HA THR A 440 9.068 -0.848 7.220 1.00 15.00 H new ATOM 0 HB THR A 440 10.497 -2.365 5.730 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.483 -1.841 3.498 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.566 -3.115 4.402 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.107 -2.741 6.081 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.722 -1.593 4.776 1.00 15.00 H new ATOM 196 N ALA A 441 11.524 -0.804 7.913 1.00 15.00 N ATOM 197 CA ALA A 441 12.827 -0.535 8.529 1.00 15.00 C ATOM 198 C ALA A 441 13.968 -0.388 7.504 1.00 15.00 C ATOM 199 O ALA A 441 15.007 0.192 7.816 1.00 15.00 O ATOM 200 CB ALA A 441 13.158 -1.640 9.519 1.00 15.00 C ATOM 0 H ALA A 441 11.016 -1.575 8.347 1.00 15.00 H new ATOM 0 HA ALA A 441 12.745 0.424 9.040 1.00 15.00 H new ATOM 0 HB1 ALA A 441 14.127 -1.440 9.977 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.391 -1.677 10.293 1.00 15.00 H new ATOM 0 HB3 ALA A 441 13.194 -2.597 8.998 1.00 15.00 H new ATOM 206 N ASP A 442 13.783 -0.910 6.292 1.00 15.00 N ATOM 207 CA ASP A 442 14.788 -0.763 5.232 1.00 15.00 C ATOM 208 C ASP A 442 14.673 0.603 4.551 1.00 15.00 C ATOM 209 O ASP A 442 15.483 0.956 3.692 1.00 15.00 O ATOM 210 CB ASP A 442 14.670 -1.888 4.199 1.00 15.00 C ATOM 211 CG ASP A 442 13.275 -2.022 3.632 1.00 15.00 C ATOM 212 OD1 ASP A 442 12.456 -2.746 4.242 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.991 -1.418 2.582 1.00 15.00 O ATOM 0 H ASP A 442 12.953 -1.436 6.018 1.00 15.00 H new ATOM 0 HA ASP A 442 15.771 -0.831 5.699 1.00 15.00 H new ATOM 0 HB2 ASP A 442 15.371 -1.702 3.385 1.00 15.00 H new ATOM 0 HB3 ASP A 442 14.961 -2.831 4.662 1.00 15.00 H new ATOM 218 N GLY A 443 13.675 1.371 4.960 1.00 15.00 N ATOM 219 CA GLY A 443 13.544 2.750 4.536 1.00 15.00 C ATOM 220 C GLY A 443 12.728 2.950 3.272 1.00 15.00 C ATOM 221 O GLY A 443 13.078 3.795 2.445 1.00 15.00 O ATOM 0 H GLY A 443 12.939 1.055 5.591 1.00 15.00 H new ATOM 0 HA2 GLY A 443 13.085 3.322 5.343 1.00 15.00 H new ATOM 0 HA3 GLY A 443 14.540 3.164 4.378 1.00 15.00 H new ATOM 225 N LYS A 444 11.626 2.210 3.122 1.00 15.00 N ATOM 226 CA LYS A 444 10.700 2.444 2.004 1.00 15.00 C ATOM 227 C LYS A 444 9.246 2.198 2.386 1.00 15.00 C ATOM 228 O LYS A 444 8.953 1.400 3.268 1.00 15.00 O ATOM 229 CB LYS A 444 10.932 1.520 0.876 1.00 15.00 C ATOM 230 CG LYS A 444 12.337 1.470 0.303 1.00 15.00 C ATOM 231 CD LYS A 444 12.685 2.742 -0.457 1.00 15.00 C ATOM 232 CE LYS A 444 13.875 2.527 -1.375 1.00 15.00 C ATOM 233 NZ LYS A 444 15.069 2.023 -0.647 1.00 15.00 N ATOM 0 H LYS A 444 11.353 1.453 3.749 1.00 15.00 H new ATOM 0 HA LYS A 444 10.884 3.483 1.733 1.00 15.00 H new ATOM 0 HB2 LYS A 444 10.663 0.515 1.201 1.00 15.00 H new ATOM 0 HB3 LYS A 444 10.248 1.789 0.072 1.00 15.00 H new ATOM 0 HG2 LYS A 444 13.054 1.322 1.111 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.427 0.612 -0.364 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.825 3.065 -1.043 1.00 15.00 H new ATOM 0 HD3 LYS A 444 12.908 3.541 0.250 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.604 1.818 -2.157 1.00 15.00 H new ATOM 0 HE3 LYS A 444 14.124 3.466 -1.869 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 15.897 2.053 -1.276 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 15.245 2.620 0.186 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 14.901 1.043 -0.341 1.00 15.00 H new ATOM 247 N THR A 445 8.343 2.867 1.684 1.00 15.00 N ATOM 248 CA THR A 445 6.922 2.676 1.893 1.00 15.00 C ATOM 249 C THR A 445 6.362 1.621 0.948 1.00 15.00 C ATOM 250 O THR A 445 6.741 1.551 -0.223 1.00 15.00 O ATOM 251 CB THR A 445 6.149 3.989 1.695 1.00 15.00 C ATOM 252 OG1 THR A 445 6.866 4.851 0.796 1.00 15.00 O ATOM 253 CG2 THR A 445 5.933 4.694 3.021 1.00 15.00 C ATOM 0 H THR A 445 8.575 3.549 0.962 1.00 15.00 H new ATOM 0 HA THR A 445 6.795 2.338 2.922 1.00 15.00 H new ATOM 0 HB THR A 445 5.175 3.751 1.268 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.366 5.685 0.674 1.00 15.00 H new ATOM 0 HG21 THR A 445 5.384 5.621 2.855 1.00 15.00 H new ATOM 0 HG22 THR A 445 5.362 4.048 3.688 1.00 15.00 H new ATOM 0 HG23 THR A 445 6.898 4.920 3.474 1.00 15.00 H new ATOM 261 N TYR A 446 5.462 0.804 1.467 1.00 15.00 N ATOM 262 CA TYR A 446 4.786 -0.200 0.665 1.00 15.00 C ATOM 263 C TYR A 446 3.290 0.037 0.753 1.00 15.00 C ATOM 264 O TYR A 446 2.775 0.411 1.808 1.00 15.00 O ATOM 265 CB TYR A 446 5.140 -1.624 1.129 1.00 15.00 C ATOM 266 CG TYR A 446 4.577 -2.014 2.480 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.253 -1.708 3.650 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.372 -2.700 2.579 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.748 -2.074 4.884 1.00 15.00 C ATOM 270 CE2 TYR A 446 2.859 -3.066 3.807 1.00 15.00 C ATOM 271 CZ TYR A 446 3.551 -2.751 4.956 1.00 15.00 C ATOM 272 OH TYR A 446 3.043 -3.118 6.180 1.00 15.00 O ATOM 0 H TYR A 446 5.181 0.817 2.447 1.00 15.00 H new ATOM 0 HA TYR A 446 5.116 -0.112 -0.370 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.780 -2.333 0.383 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.225 -1.720 1.163 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.191 -1.174 3.597 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.828 -2.951 1.680 1.00 15.00 H new ATOM 0 HE1 TYR A 446 5.289 -1.830 5.786 1.00 15.00 H new ATOM 0 HE2 TYR A 446 1.920 -3.596 3.867 1.00 15.00 H new ATOM 0 HH TYR A 446 2.192 -3.586 6.054 1.00 15.00 H new ATOM 282 N TYR A 447 2.597 -0.196 -0.340 1.00 15.00 N ATOM 283 CA TYR A 447 1.182 0.099 -0.417 1.00 15.00 C ATOM 284 C TYR A 447 0.369 -1.108 0.024 1.00 15.00 C ATOM 285 O TYR A 447 0.400 -2.166 -0.606 1.00 15.00 O ATOM 286 CB TYR A 447 0.820 0.531 -1.834 1.00 15.00 C ATOM 287 CG TYR A 447 1.710 1.648 -2.342 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.839 2.834 -1.627 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.427 1.514 -3.520 1.00 15.00 C ATOM 290 CE1 TYR A 447 2.656 3.854 -2.073 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.246 2.531 -3.977 1.00 15.00 C ATOM 292 CZ TYR A 447 3.357 3.697 -3.250 1.00 15.00 C ATOM 293 OH TYR A 447 4.172 4.708 -3.701 1.00 15.00 O ATOM 0 H TYR A 447 2.993 -0.591 -1.193 1.00 15.00 H new ATOM 0 HA TYR A 447 0.945 0.922 0.258 1.00 15.00 H new ATOM 0 HB2 TYR A 447 0.899 -0.326 -2.503 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.219 0.859 -1.857 1.00 15.00 H new ATOM 0 HD1 TYR A 447 1.290 2.960 -0.706 1.00 15.00 H new ATOM 0 HD2 TYR A 447 2.345 0.601 -4.091 1.00 15.00 H new ATOM 0 HE1 TYR A 447 2.745 4.768 -1.504 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.796 2.412 -4.899 1.00 15.00 H new ATOM 0 HH TYR A 447 4.594 4.437 -4.543 1.00 15.00 H new ATOM 303 N TYR A 448 -0.329 -0.944 1.129 1.00 15.00 N ATOM 304 CA TYR A 448 -1.077 -2.026 1.736 1.00 15.00 C ATOM 305 C TYR A 448 -2.575 -1.791 1.612 1.00 15.00 C ATOM 306 O TYR A 448 -3.092 -0.768 2.066 1.00 15.00 O ATOM 307 CB TYR A 448 -0.697 -2.146 3.214 1.00 15.00 C ATOM 308 CG TYR A 448 -1.466 -3.214 3.960 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.384 -4.547 3.582 1.00 15.00 C ATOM 310 CD2 TYR A 448 -2.281 -2.884 5.036 1.00 15.00 C ATOM 311 CE1 TYR A 448 -2.092 -5.523 4.256 1.00 15.00 C ATOM 312 CE2 TYR A 448 -2.993 -3.855 5.713 1.00 15.00 C ATOM 313 CZ TYR A 448 -2.894 -5.172 5.321 1.00 15.00 C ATOM 314 OH TYR A 448 -3.612 -6.141 5.985 1.00 15.00 O ATOM 0 H TYR A 448 -0.394 -0.058 1.631 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.830 -2.950 1.214 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.369 -2.361 3.289 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -0.864 -1.185 3.701 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -0.757 -4.825 2.748 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -2.359 -1.853 5.348 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -2.018 -6.556 3.950 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -3.624 -3.583 6.546 1.00 15.00 H new ATOM 0 HH TYR A 448 -3.147 -7.000 5.912 1.00 15.00 H new ATOM 324 N ASN A 449 -3.267 -2.734 0.991 1.00 15.00 N ATOM 325 CA ASN A 449 -4.722 -2.737 1.004 1.00 15.00 C ATOM 326 C ASN A 449 -5.186 -3.640 2.125 1.00 15.00 C ATOM 327 O ASN A 449 -4.777 -4.795 2.201 1.00 15.00 O ATOM 328 CB ASN A 449 -5.307 -3.238 -0.311 1.00 15.00 C ATOM 329 CG ASN A 449 -6.825 -3.120 -0.344 1.00 15.00 C ATOM 330 OD1 ASN A 449 -7.541 -4.004 0.131 1.00 15.00 O ATOM 331 ND2 ASN A 449 -7.334 -2.024 -0.884 1.00 15.00 N ATOM 0 H ASN A 449 -2.846 -3.505 0.473 1.00 15.00 H new ATOM 0 HA ASN A 449 -5.065 -1.713 1.149 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -4.881 -2.668 -1.137 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -5.021 -4.279 -0.461 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -8.345 -1.893 -0.915 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -6.715 -1.310 -1.269 1.00 15.00 H new ATOM 338 N ASN A 450 -6.044 -3.124 2.978 1.00 15.00 N ATOM 339 CA ASN A 450 -6.429 -3.841 4.185 1.00 15.00 C ATOM 340 C ASN A 450 -7.309 -5.051 3.899 1.00 15.00 C ATOM 341 O ASN A 450 -7.060 -6.130 4.430 1.00 15.00 O ATOM 342 CB ASN A 450 -7.139 -2.903 5.167 1.00 15.00 C ATOM 343 CG ASN A 450 -6.230 -1.810 5.698 1.00 15.00 C ATOM 344 OD1 ASN A 450 -5.569 -1.982 6.718 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.197 -0.673 5.017 1.00 15.00 N ATOM 0 H ASN A 450 -6.490 -2.214 2.863 1.00 15.00 H new ATOM 0 HA ASN A 450 -5.506 -4.210 4.632 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -7.996 -2.447 4.672 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -7.526 -3.485 6.003 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -5.608 0.096 5.337 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.761 -0.567 4.173 1.00 15.00 H new ATOM 352 N ARG A 451 -8.350 -4.897 3.089 1.00 15.00 N ATOM 353 CA ARG A 451 -9.298 -5.994 2.956 1.00 15.00 C ATOM 354 C ARG A 451 -8.932 -6.952 1.826 1.00 15.00 C ATOM 355 O ARG A 451 -9.620 -7.954 1.614 1.00 15.00 O ATOM 356 CB ARG A 451 -10.696 -5.424 2.721 1.00 15.00 C ATOM 357 CG ARG A 451 -11.130 -4.449 3.800 1.00 15.00 C ATOM 358 CD ARG A 451 -12.482 -3.831 3.494 1.00 15.00 C ATOM 359 NE ARG A 451 -12.454 -3.004 2.287 1.00 15.00 N ATOM 360 CZ ARG A 451 -13.453 -2.200 1.922 1.00 15.00 C ATOM 361 NH1 ARG A 451 -14.555 -2.131 2.657 1.00 15.00 N ATOM 362 NH2 ARG A 451 -13.357 -1.461 0.820 1.00 15.00 N ATOM 0 H ARG A 451 -8.554 -4.063 2.538 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.270 -6.569 3.882 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -10.719 -4.921 1.754 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -11.413 -6.244 2.671 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -11.176 -4.965 4.759 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -10.384 -3.660 3.898 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -13.222 -4.622 3.372 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -12.801 -3.223 4.341 1.00 15.00 H new ATOM 0 HE ARG A 451 -11.626 -3.045 1.693 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -14.639 -2.694 3.504 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -15.318 -1.515 2.376 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -12.514 -1.507 0.247 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -14.126 -0.849 0.548 1.00 15.00 H new ATOM 376 N THR A 452 -7.855 -6.670 1.110 1.00 15.00 N ATOM 377 CA THR A 452 -7.176 -7.690 0.337 1.00 15.00 C ATOM 378 C THR A 452 -6.097 -8.326 1.192 1.00 15.00 C ATOM 379 O THR A 452 -5.874 -9.540 1.155 1.00 15.00 O ATOM 380 CB THR A 452 -6.582 -7.152 -0.978 1.00 15.00 C ATOM 381 OG1 THR A 452 -5.633 -6.124 -0.710 1.00 15.00 O ATOM 382 CG2 THR A 452 -7.680 -6.613 -1.883 1.00 15.00 C ATOM 0 H THR A 452 -7.435 -5.743 1.050 1.00 15.00 H new ATOM 0 HA THR A 452 -7.916 -8.437 0.050 1.00 15.00 H new ATOM 0 HB THR A 452 -6.081 -7.977 -1.486 1.00 15.00 H new ATOM 0 HG1 THR A 452 -5.715 -5.839 0.224 1.00 15.00 H new ATOM 0 HG21 THR A 452 -7.239 -6.238 -2.806 1.00 15.00 H new ATOM 0 HG22 THR A 452 -8.384 -7.412 -2.116 1.00 15.00 H new ATOM 0 HG23 THR A 452 -8.204 -5.803 -1.376 1.00 15.00 H new ATOM 390 N ASP A 453 -5.450 -7.453 1.982 1.00 15.00 N ATOM 391 CA ASP A 453 -4.289 -7.796 2.802 1.00 15.00 C ATOM 392 C ASP A 453 -3.075 -8.007 1.899 1.00 15.00 C ATOM 393 O ASP A 453 -2.211 -8.846 2.151 1.00 15.00 O ATOM 394 CB ASP A 453 -4.587 -9.020 3.676 1.00 15.00 C ATOM 395 CG ASP A 453 -3.427 -9.436 4.567 1.00 15.00 C ATOM 396 OD1 ASP A 453 -2.931 -8.598 5.350 1.00 15.00 O ATOM 397 OD2 ASP A 453 -3.012 -10.616 4.496 1.00 15.00 O ATOM 0 H ASP A 453 -5.728 -6.475 2.066 1.00 15.00 H new ATOM 0 HA ASP A 453 -4.062 -6.975 3.482 1.00 15.00 H new ATOM 0 HB2 ASP A 453 -5.454 -8.806 4.301 1.00 15.00 H new ATOM 0 HB3 ASP A 453 -4.857 -9.857 3.032 1.00 15.00 H new ATOM 402 N GLU A 454 -2.990 -7.190 0.855 1.00 15.00 N ATOM 403 CA GLU A 454 -1.891 -7.294 -0.094 1.00 15.00 C ATOM 404 C GLU A 454 -0.839 -6.220 0.172 1.00 15.00 C ATOM 405 O GLU A 454 -1.164 -5.058 0.430 1.00 15.00 O ATOM 406 CB GLU A 454 -2.406 -7.181 -1.532 1.00 15.00 C ATOM 407 CG GLU A 454 -2.841 -5.779 -1.930 1.00 15.00 C ATOM 408 CD GLU A 454 -3.380 -5.720 -3.338 1.00 15.00 C ATOM 409 OE1 GLU A 454 -2.576 -5.577 -4.287 1.00 15.00 O ATOM 410 OE2 GLU A 454 -4.610 -5.827 -3.505 1.00 15.00 O ATOM 0 H GLU A 454 -3.664 -6.454 0.646 1.00 15.00 H new ATOM 0 HA GLU A 454 -1.428 -8.272 0.036 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -1.623 -7.514 -2.214 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -3.249 -7.861 -1.659 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -3.606 -5.429 -1.237 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -1.993 -5.100 -1.840 1.00 15.00 H new ATOM 417 N SER A 455 0.420 -6.614 0.110 1.00 15.00 N ATOM 418 CA SER A 455 1.516 -5.667 0.199 1.00 15.00 C ATOM 419 C SER A 455 2.142 -5.494 -1.178 1.00 15.00 C ATOM 420 O SER A 455 2.831 -6.389 -1.671 1.00 15.00 O ATOM 421 CB SER A 455 2.559 -6.152 1.205 1.00 15.00 C ATOM 422 OG SER A 455 1.957 -6.441 2.455 1.00 15.00 O ATOM 0 H SER A 455 0.709 -7.586 -0.002 1.00 15.00 H new ATOM 0 HA SER A 455 1.136 -4.705 0.544 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.055 -7.043 0.820 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.328 -5.390 1.334 1.00 15.00 H new ATOM 0 HG SER A 455 2.642 -6.751 3.084 1.00 15.00 H new ATOM 428 N THR A 456 1.871 -4.367 -1.813 1.00 15.00 N ATOM 429 CA THR A 456 2.325 -4.135 -3.174 1.00 15.00 C ATOM 430 C THR A 456 3.215 -2.896 -3.243 1.00 15.00 C ATOM 431 O THR A 456 3.072 -1.971 -2.445 1.00 15.00 O ATOM 432 CB THR A 456 1.127 -3.991 -4.145 1.00 15.00 C ATOM 433 OG1 THR A 456 1.582 -3.944 -5.506 1.00 15.00 O ATOM 434 CG2 THR A 456 0.313 -2.742 -3.841 1.00 15.00 C ATOM 0 H THR A 456 1.338 -3.597 -1.408 1.00 15.00 H new ATOM 0 HA THR A 456 2.910 -5.002 -3.482 1.00 15.00 H new ATOM 0 HB THR A 456 0.489 -4.864 -4.006 1.00 15.00 H new ATOM 0 HG1 THR A 456 0.812 -3.855 -6.105 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.520 -2.671 -4.541 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.072 -2.798 -2.823 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.947 -1.861 -3.941 1.00 15.00 H new ATOM 442 N TRP A 457 4.152 -2.893 -4.179 1.00 15.00 N ATOM 443 CA TRP A 457 5.071 -1.774 -4.335 1.00 15.00 C ATOM 444 C TRP A 457 4.690 -0.946 -5.554 1.00 15.00 C ATOM 445 O TRP A 457 5.388 -0.001 -5.925 1.00 15.00 O ATOM 446 CB TRP A 457 6.505 -2.287 -4.463 1.00 15.00 C ATOM 447 CG TRP A 457 6.942 -3.080 -3.269 1.00 15.00 C ATOM 448 CD1 TRP A 457 6.744 -4.414 -3.054 1.00 15.00 C ATOM 449 CD2 TRP A 457 7.637 -2.586 -2.116 1.00 15.00 C ATOM 450 NE1 TRP A 457 7.271 -4.780 -1.840 1.00 15.00 N ATOM 451 CE2 TRP A 457 7.827 -3.676 -1.245 1.00 15.00 C ATOM 452 CE3 TRP A 457 8.119 -1.329 -1.735 1.00 15.00 C ATOM 453 CZ2 TRP A 457 8.477 -3.544 -0.019 1.00 15.00 C ATOM 454 CZ3 TRP A 457 8.764 -1.201 -0.519 1.00 15.00 C ATOM 455 CH2 TRP A 457 8.938 -2.303 0.327 1.00 15.00 C ATOM 0 H TRP A 457 4.297 -3.654 -4.843 1.00 15.00 H new ATOM 0 HA TRP A 457 5.006 -1.138 -3.452 1.00 15.00 H new ATOM 0 HB2 TRP A 457 6.587 -2.907 -5.356 1.00 15.00 H new ATOM 0 HB3 TRP A 457 7.179 -1.441 -4.599 1.00 15.00 H new ATOM 0 HD1 TRP A 457 6.245 -5.084 -3.739 1.00 15.00 H new ATOM 0 HE1 TRP A 457 7.252 -5.720 -1.445 1.00 15.00 H new ATOM 0 HE3 TRP A 457 7.989 -0.473 -2.380 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 8.612 -4.392 0.636 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.140 -0.235 -0.217 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.446 -2.171 1.271 1.00 15.00 H new ATOM 466 N GLU A 458 3.566 -1.300 -6.164 1.00 15.00 N ATOM 467 CA GLU A 458 3.053 -0.568 -7.308 1.00 15.00 C ATOM 468 C GLU A 458 1.982 0.408 -6.840 1.00 15.00 C ATOM 469 O GLU A 458 1.102 0.039 -6.062 1.00 15.00 O ATOM 470 CB GLU A 458 2.478 -1.532 -8.348 1.00 15.00 C ATOM 471 CG GLU A 458 2.195 -0.870 -9.687 1.00 15.00 C ATOM 472 CD GLU A 458 3.424 -0.200 -10.265 1.00 15.00 C ATOM 473 OE1 GLU A 458 3.673 0.978 -9.937 1.00 15.00 O ATOM 474 OE2 GLU A 458 4.161 -0.855 -11.035 1.00 15.00 O ATOM 0 H GLU A 458 2.992 -2.094 -5.881 1.00 15.00 H new ATOM 0 HA GLU A 458 3.868 -0.014 -7.775 1.00 15.00 H new ATOM 0 HB2 GLU A 458 3.178 -2.354 -8.497 1.00 15.00 H new ATOM 0 HB3 GLU A 458 1.555 -1.965 -7.962 1.00 15.00 H new ATOM 0 HG2 GLU A 458 1.827 -1.618 -10.389 1.00 15.00 H new ATOM 0 HG3 GLU A 458 1.404 -0.130 -9.565 1.00 15.00 H new ATOM 481 N LYS A 459 2.050 1.644 -7.323 1.00 15.00 N ATOM 482 CA LYS A 459 1.169 2.699 -6.837 1.00 15.00 C ATOM 483 C LYS A 459 -0.250 2.563 -7.391 1.00 15.00 C ATOM 484 O LYS A 459 -0.467 2.621 -8.604 1.00 15.00 O ATOM 485 CB LYS A 459 1.742 4.078 -7.166 1.00 15.00 C ATOM 486 CG LYS A 459 0.789 5.217 -6.840 1.00 15.00 C ATOM 487 CD LYS A 459 1.469 6.573 -6.894 1.00 15.00 C ATOM 488 CE LYS A 459 2.208 6.881 -5.601 1.00 15.00 C ATOM 489 NZ LYS A 459 2.571 8.319 -5.504 1.00 15.00 N ATOM 0 H LYS A 459 2.704 1.939 -8.048 1.00 15.00 H new ATOM 0 HA LYS A 459 1.108 2.593 -5.754 1.00 15.00 H new ATOM 0 HB2 LYS A 459 2.670 4.220 -6.612 1.00 15.00 H new ATOM 0 HB3 LYS A 459 1.994 4.116 -8.226 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -0.044 5.203 -7.543 1.00 15.00 H new ATOM 0 HG3 LYS A 459 0.370 5.063 -5.846 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.170 6.596 -7.729 1.00 15.00 H new ATOM 0 HD3 LYS A 459 0.724 7.347 -7.081 1.00 15.00 H new ATOM 0 HE2 LYS A 459 1.584 6.605 -4.751 1.00 15.00 H new ATOM 0 HE3 LYS A 459 3.111 6.273 -5.544 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 3.132 8.478 -4.643 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 3.130 8.593 -6.337 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 1.705 8.894 -5.464 1.00 15.00 H new ATOM 503 N PRO A 460 -1.229 2.384 -6.490 1.00 15.00 N ATOM 504 CA PRO A 460 -2.649 2.302 -6.846 1.00 15.00 C ATOM 505 C PRO A 460 -3.199 3.651 -7.304 1.00 15.00 C ATOM 506 O PRO A 460 -2.773 4.702 -6.825 1.00 15.00 O ATOM 507 CB PRO A 460 -3.328 1.864 -5.538 1.00 15.00 C ATOM 508 CG PRO A 460 -2.222 1.438 -4.634 1.00 15.00 C ATOM 509 CD PRO A 460 -1.029 2.240 -5.045 1.00 15.00 C ATOM 0 HA PRO A 460 -2.823 1.617 -7.676 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.899 2.683 -5.100 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -4.027 1.046 -5.714 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.477 1.623 -3.590 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.027 0.370 -4.730 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -0.996 3.206 -4.541 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -0.095 1.727 -4.813 1.00 15.00 H new ATOM 517 N GLN A 461 -4.180 3.609 -8.197 1.00 15.00 N ATOM 518 CA GLN A 461 -4.750 4.820 -8.786 1.00 15.00 C ATOM 519 C GLN A 461 -5.512 5.659 -7.759 1.00 15.00 C ATOM 520 O GLN A 461 -5.773 6.838 -7.986 1.00 15.00 O ATOM 521 CB GLN A 461 -5.673 4.480 -9.965 1.00 15.00 C ATOM 522 CG GLN A 461 -6.762 3.463 -9.638 1.00 15.00 C ATOM 523 CD GLN A 461 -6.258 2.032 -9.649 1.00 15.00 C ATOM 524 OE1 GLN A 461 -5.354 1.685 -10.405 1.00 15.00 O ATOM 525 NE2 GLN A 461 -6.820 1.202 -8.789 1.00 15.00 N ATOM 0 H GLN A 461 -4.602 2.743 -8.533 1.00 15.00 H new ATOM 0 HA GLN A 461 -3.910 5.413 -9.149 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.144 5.397 -10.319 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.068 4.095 -10.786 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.179 3.688 -8.656 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.573 3.562 -10.359 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.568 1.530 -8.178 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -6.506 0.233 -8.735 1.00 15.00 H new ATOM 534 N GLU A 462 -5.895 5.050 -6.647 1.00 15.00 N ATOM 535 CA GLU A 462 -6.563 5.780 -5.579 1.00 15.00 C ATOM 536 C GLU A 462 -5.551 6.303 -4.564 1.00 15.00 C ATOM 537 O GLU A 462 -5.896 7.077 -3.671 1.00 15.00 O ATOM 538 CB GLU A 462 -7.612 4.906 -4.869 1.00 15.00 C ATOM 539 CG GLU A 462 -7.092 3.559 -4.381 1.00 15.00 C ATOM 540 CD GLU A 462 -7.126 2.489 -5.453 1.00 15.00 C ATOM 541 OE1 GLU A 462 -6.220 2.463 -6.302 1.00 15.00 O ATOM 542 OE2 GLU A 462 -8.074 1.673 -5.451 1.00 15.00 O ATOM 0 H GLU A 462 -5.756 4.057 -6.460 1.00 15.00 H new ATOM 0 HA GLU A 462 -7.076 6.626 -6.037 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -8.008 5.458 -4.017 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -8.444 4.734 -5.552 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -6.068 3.678 -4.026 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -7.689 3.232 -3.530 1.00 15.00 H new ATOM 549 N LEU A 463 -4.305 5.884 -4.711 1.00 15.00 N ATOM 550 CA LEU A 463 -3.260 6.245 -3.762 1.00 15.00 C ATOM 551 C LEU A 463 -2.136 7.017 -4.454 1.00 15.00 C ATOM 552 O LEU A 463 -1.093 7.284 -3.861 1.00 15.00 O ATOM 553 CB LEU A 463 -2.718 4.974 -3.099 1.00 15.00 C ATOM 554 CG LEU A 463 -1.751 5.195 -1.934 1.00 15.00 C ATOM 555 CD1 LEU A 463 -2.417 6.004 -0.834 1.00 15.00 C ATOM 556 CD2 LEU A 463 -1.266 3.864 -1.388 1.00 15.00 C ATOM 0 H LEU A 463 -3.990 5.292 -5.480 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.683 6.897 -2.998 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.562 4.385 -2.740 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.213 4.377 -3.858 1.00 15.00 H new ATOM 0 HG LEU A 463 -0.891 5.754 -2.303 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.714 6.151 -0.014 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -2.722 6.973 -1.229 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.294 5.469 -0.469 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.579 4.039 -0.560 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -2.118 3.283 -1.036 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.752 3.313 -2.176 1.00 15.00 H new ATOM 568 N LYS A 464 -2.362 7.392 -5.706 1.00 15.00 N ATOM 569 CA LYS A 464 -1.345 8.085 -6.488 1.00 15.00 C ATOM 570 C LYS A 464 -0.999 9.453 -5.897 1.00 15.00 C ATOM 571 O LYS A 464 -1.924 10.225 -5.572 1.00 15.00 O ATOM 572 CB LYS A 464 -1.741 8.181 -7.974 1.00 15.00 C ATOM 573 CG LYS A 464 -3.203 8.523 -8.259 1.00 15.00 C ATOM 574 CD LYS A 464 -3.506 9.997 -8.048 1.00 15.00 C ATOM 575 CE LYS A 464 -4.915 10.350 -8.497 1.00 15.00 C ATOM 576 NZ LYS A 464 -5.952 9.544 -7.797 1.00 15.00 N ATOM 577 OXT LYS A 464 0.211 9.750 -5.763 1.00 15.00 O ATOM 0 H LYS A 464 -3.238 7.229 -6.202 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.437 7.485 -6.436 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -1.113 8.935 -8.448 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -1.512 7.229 -8.452 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.444 8.249 -9.286 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.846 7.927 -7.611 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -3.387 10.246 -6.994 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -2.786 10.600 -8.601 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -5.097 11.409 -8.314 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -5.001 10.193 -9.572 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -6.880 10.000 -7.909 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -5.984 8.588 -8.206 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -5.718 9.480 -6.786 1.00 15.00 H new TER 591 LYS A 464