USER MOD reduce.3.24.130724 H: found=0, std=0, add=280, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 283 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 436 THR OG1 : rot 180:sc= 0.175 USER MOD Set 1.2: A 450 ASN : amide:sc= 1.51 K(o=1.7,f=0.12) USER MOD Set 2.1: A 449 ASN : amide:sc= 0.294 K(o=1.5,f=-6.6!) USER MOD Set 2.2: A 452 THR OG1 : rot -178:sc= 1.24 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 102:sc= 0.0171 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 166:sc= -0.0114 (180deg=-0.186) USER MOD Single : A 440 THR OG1 : rot 55:sc= 1.21 USER MOD Single : A 444 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.09) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0.0361 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 455 SER OG : rot 41:sc= 0.0362 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 459 LYS NZ :NH3+ 150:sc= -1.94! (180deg=-3.74!) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.603) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -12.188 14.790 10.635 1.00 15.00 N ATOM 2 CA GLY A 428 -11.385 13.630 10.180 1.00 15.00 C ATOM 3 C GLY A 428 -11.549 13.376 8.702 1.00 15.00 C ATOM 4 O GLY A 428 -12.114 14.202 7.981 1.00 15.00 O ATOM 0 HA2 GLY A 428 -10.333 13.807 10.403 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -11.684 12.741 10.736 1.00 15.00 H new ATOM 10 N ALA A 429 -11.054 12.240 8.245 1.00 15.00 N ATOM 11 CA ALA A 429 -11.195 11.853 6.858 1.00 15.00 C ATOM 12 C ALA A 429 -11.765 10.447 6.763 1.00 15.00 C ATOM 13 O ALA A 429 -11.058 9.462 6.990 1.00 15.00 O ATOM 14 CB ALA A 429 -9.857 11.940 6.139 1.00 15.00 C ATOM 0 H ALA A 429 -10.548 11.567 8.821 1.00 15.00 H new ATOM 0 HA ALA A 429 -11.886 12.542 6.372 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -9.984 11.645 5.097 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -9.486 12.964 6.184 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -9.141 11.273 6.620 1.00 15.00 H new ATOM 20 N THR A 430 -13.049 10.359 6.455 1.00 15.00 N ATOM 21 CA THR A 430 -13.718 9.074 6.321 1.00 15.00 C ATOM 22 C THR A 430 -13.369 8.431 4.979 1.00 15.00 C ATOM 23 O THR A 430 -14.198 8.351 4.071 1.00 15.00 O ATOM 24 CB THR A 430 -15.247 9.230 6.443 1.00 15.00 C ATOM 25 OG1 THR A 430 -15.558 10.073 7.561 1.00 15.00 O ATOM 26 CG2 THR A 430 -15.921 7.878 6.627 1.00 15.00 C ATOM 0 H THR A 430 -13.651 11.166 6.292 1.00 15.00 H new ATOM 0 HA THR A 430 -13.371 8.430 7.129 1.00 15.00 H new ATOM 0 HB THR A 430 -15.619 9.680 5.523 1.00 15.00 H new ATOM 0 HG1 THR A 430 -16.530 10.172 7.636 1.00 15.00 H new ATOM 0 HG21 THR A 430 -16.999 8.017 6.710 1.00 15.00 H new ATOM 0 HG22 THR A 430 -15.702 7.243 5.769 1.00 15.00 H new ATOM 0 HG23 THR A 430 -15.545 7.404 7.534 1.00 15.00 H new ATOM 34 N ALA A 431 -12.125 8.001 4.852 1.00 15.00 N ATOM 35 CA ALA A 431 -11.652 7.395 3.623 1.00 15.00 C ATOM 36 C ALA A 431 -11.287 5.939 3.852 1.00 15.00 C ATOM 37 O ALA A 431 -10.313 5.636 4.539 1.00 15.00 O ATOM 38 CB ALA A 431 -10.458 8.167 3.081 1.00 15.00 C ATOM 0 H ALA A 431 -11.423 8.062 5.590 1.00 15.00 H new ATOM 0 HA ALA A 431 -12.454 7.433 2.886 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -10.112 7.702 2.158 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -10.752 9.197 2.880 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -9.653 8.156 3.816 1.00 15.00 H new ATOM 44 N VAL A 432 -12.087 5.040 3.302 1.00 15.00 N ATOM 45 CA VAL A 432 -11.793 3.623 3.391 1.00 15.00 C ATOM 46 C VAL A 432 -10.853 3.210 2.258 1.00 15.00 C ATOM 47 O VAL A 432 -11.238 3.153 1.089 1.00 15.00 O ATOM 48 CB VAL A 432 -13.085 2.762 3.390 1.00 15.00 C ATOM 49 CG1 VAL A 432 -13.972 3.074 2.190 1.00 15.00 C ATOM 50 CG2 VAL A 432 -12.743 1.280 3.434 1.00 15.00 C ATOM 0 H VAL A 432 -12.941 5.267 2.792 1.00 15.00 H new ATOM 0 HA VAL A 432 -11.295 3.442 4.343 1.00 15.00 H new ATOM 0 HB VAL A 432 -13.648 3.017 4.288 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -14.866 2.451 2.226 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -14.261 4.125 2.215 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -13.424 2.870 1.270 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -13.662 0.694 3.433 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -12.145 1.019 2.561 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -12.177 1.064 4.340 1.00 15.00 H new ATOM 60 N SER A 433 -9.604 2.972 2.607 1.00 15.00 N ATOM 61 CA SER A 433 -8.605 2.584 1.633 1.00 15.00 C ATOM 62 C SER A 433 -8.537 1.066 1.509 1.00 15.00 C ATOM 63 O SER A 433 -8.457 0.355 2.513 1.00 15.00 O ATOM 64 CB SER A 433 -7.245 3.150 2.044 1.00 15.00 C ATOM 65 OG SER A 433 -6.980 2.894 3.413 1.00 15.00 O ATOM 0 H SER A 433 -9.256 3.041 3.563 1.00 15.00 H new ATOM 0 HA SER A 433 -8.881 2.989 0.659 1.00 15.00 H new ATOM 0 HB2 SER A 433 -6.462 2.706 1.429 1.00 15.00 H new ATOM 0 HB3 SER A 433 -7.224 4.224 1.861 1.00 15.00 H new ATOM 0 HG SER A 433 -6.356 2.142 3.490 1.00 15.00 H new ATOM 71 N GLU A 434 -8.558 0.577 0.276 1.00 15.00 N ATOM 72 CA GLU A 434 -8.467 -0.852 0.012 1.00 15.00 C ATOM 73 C GLU A 434 -7.048 -1.340 0.266 1.00 15.00 C ATOM 74 O GLU A 434 -6.788 -2.541 0.392 1.00 15.00 O ATOM 75 CB GLU A 434 -8.858 -1.144 -1.433 1.00 15.00 C ATOM 76 CG GLU A 434 -8.903 -2.622 -1.764 1.00 15.00 C ATOM 77 CD GLU A 434 -10.002 -3.347 -1.018 1.00 15.00 C ATOM 78 OE1 GLU A 434 -11.171 -3.256 -1.445 1.00 15.00 O ATOM 79 OE2 GLU A 434 -9.697 -4.023 -0.017 1.00 15.00 O ATOM 0 H GLU A 434 -8.638 1.154 -0.562 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.151 -1.375 0.680 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -9.836 -0.706 -1.631 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.148 -0.653 -2.099 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -9.052 -2.747 -2.837 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.942 -3.075 -1.521 1.00 15.00 H new ATOM 86 N TRP A 435 -6.126 -0.401 0.299 1.00 15.00 N ATOM 87 CA TRP A 435 -4.739 -0.717 0.550 1.00 15.00 C ATOM 88 C TRP A 435 -4.348 -0.413 1.976 1.00 15.00 C ATOM 89 O TRP A 435 -4.875 0.498 2.617 1.00 15.00 O ATOM 90 CB TRP A 435 -3.792 0.043 -0.351 1.00 15.00 C ATOM 91 CG TRP A 435 -4.010 -0.176 -1.819 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.063 0.267 -2.571 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.137 -0.867 -2.719 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.902 -0.117 -3.878 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.728 -0.812 -3.996 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.917 -1.529 -2.571 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -3.139 -1.390 -5.114 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -1.332 -2.104 -3.684 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.943 -2.031 -4.941 1.00 15.00 C ATOM 0 H TRP A 435 -6.315 0.591 0.154 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.652 -1.785 0.348 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.887 1.108 -0.139 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.769 -0.242 -0.103 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.899 0.836 -2.191 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.551 0.083 -4.639 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.439 -1.591 -1.605 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -3.609 -1.335 -6.085 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.388 -2.618 -3.582 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.461 -2.490 -5.791 1.00 15.00 H new ATOM 110 N THR A 436 -3.401 -1.183 2.440 1.00 15.00 N ATOM 111 CA THR A 436 -2.842 -1.041 3.757 1.00 15.00 C ATOM 112 C THR A 436 -1.318 -0.951 3.651 1.00 15.00 C ATOM 113 O THR A 436 -0.716 -1.646 2.829 1.00 15.00 O ATOM 114 CB THR A 436 -3.239 -2.270 4.562 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.671 -2.381 4.595 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.687 -2.221 5.981 1.00 15.00 C ATOM 0 H THR A 436 -2.988 -1.944 1.901 1.00 15.00 H new ATOM 0 HA THR A 436 -3.211 -0.138 4.243 1.00 15.00 H new ATOM 0 HB THR A 436 -2.810 -3.145 4.074 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.926 -3.174 5.112 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.993 -3.117 6.522 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.599 -2.172 5.947 1.00 15.00 H new ATOM 0 HG23 THR A 436 -3.074 -1.339 6.492 1.00 15.00 H new ATOM 124 N GLU A 437 -0.694 -0.090 4.444 1.00 15.00 N ATOM 125 CA GLU A 437 0.750 0.076 4.377 1.00 15.00 C ATOM 126 C GLU A 437 1.435 -0.426 5.653 1.00 15.00 C ATOM 127 O GLU A 437 1.050 -0.084 6.773 1.00 15.00 O ATOM 128 CB GLU A 437 1.125 1.542 4.095 1.00 15.00 C ATOM 129 CG GLU A 437 0.924 2.507 5.252 1.00 15.00 C ATOM 130 CD GLU A 437 -0.533 2.818 5.549 1.00 15.00 C ATOM 131 OE1 GLU A 437 -1.245 1.939 6.084 1.00 15.00 O ATOM 132 OE2 GLU A 437 -0.971 3.950 5.253 1.00 15.00 O ATOM 0 H GLU A 437 -1.160 0.499 5.134 1.00 15.00 H new ATOM 0 HA GLU A 437 1.110 -0.533 3.548 1.00 15.00 H new ATOM 0 HB2 GLU A 437 2.172 1.579 3.793 1.00 15.00 H new ATOM 0 HB3 GLU A 437 0.536 1.892 3.247 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.385 2.088 6.146 1.00 15.00 H new ATOM 0 HG3 GLU A 437 1.446 3.438 5.031 1.00 15.00 H new ATOM 139 N TYR A 438 2.456 -1.248 5.466 1.00 15.00 N ATOM 140 CA TYR A 438 3.248 -1.769 6.574 1.00 15.00 C ATOM 141 C TYR A 438 4.715 -1.423 6.364 1.00 15.00 C ATOM 142 O TYR A 438 5.231 -1.566 5.255 1.00 15.00 O ATOM 143 CB TYR A 438 3.114 -3.293 6.679 1.00 15.00 C ATOM 144 CG TYR A 438 1.716 -3.798 6.971 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.188 -3.737 8.255 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.937 -4.359 5.967 1.00 15.00 C ATOM 147 CE1 TYR A 438 -0.079 -4.219 8.529 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.331 -4.840 6.232 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.834 -4.770 7.515 1.00 15.00 C ATOM 150 OH TYR A 438 -2.096 -5.252 7.783 1.00 15.00 O ATOM 0 H TYR A 438 2.759 -1.573 4.548 1.00 15.00 H new ATOM 0 HA TYR A 438 2.878 -1.315 7.494 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.456 -3.737 5.744 1.00 15.00 H new ATOM 0 HB3 TYR A 438 3.783 -3.647 7.464 1.00 15.00 H new ATOM 0 HD1 TYR A 438 1.776 -3.306 9.052 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.329 -4.420 4.962 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -0.475 -4.164 9.532 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.925 -5.269 5.439 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.493 -5.605 6.960 1.00 15.00 H new ATOM 160 N LYS A 439 5.388 -0.981 7.417 1.00 15.00 N ATOM 161 CA LYS A 439 6.816 -0.699 7.337 1.00 15.00 C ATOM 162 C LYS A 439 7.599 -1.960 7.691 1.00 15.00 C ATOM 163 O LYS A 439 7.526 -2.462 8.812 1.00 15.00 O ATOM 164 CB LYS A 439 7.203 0.471 8.259 1.00 15.00 C ATOM 165 CG LYS A 439 8.575 1.088 7.958 1.00 15.00 C ATOM 166 CD LYS A 439 8.545 2.070 6.775 1.00 15.00 C ATOM 167 CE LYS A 439 7.811 3.362 7.100 1.00 15.00 C ATOM 168 NZ LYS A 439 8.497 4.146 8.160 1.00 15.00 N ATOM 0 H LYS A 439 4.972 -0.810 8.332 1.00 15.00 H new ATOM 0 HA LYS A 439 7.063 -0.400 6.318 1.00 15.00 H new ATOM 0 HB2 LYS A 439 6.443 1.248 8.178 1.00 15.00 H new ATOM 0 HB3 LYS A 439 7.194 0.122 9.292 1.00 15.00 H new ATOM 0 HG2 LYS A 439 8.936 1.608 8.845 1.00 15.00 H new ATOM 0 HG3 LYS A 439 9.287 0.291 7.744 1.00 15.00 H new ATOM 0 HD2 LYS A 439 9.567 2.303 6.476 1.00 15.00 H new ATOM 0 HD3 LYS A 439 8.065 1.590 5.922 1.00 15.00 H new ATOM 0 HE2 LYS A 439 7.729 3.968 6.198 1.00 15.00 H new ATOM 0 HE3 LYS A 439 6.796 3.130 7.422 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 8.109 5.110 8.185 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 8.347 3.689 9.082 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 9.516 4.188 7.956 1.00 15.00 H new ATOM 182 N THR A 440 8.349 -2.453 6.725 1.00 15.00 N ATOM 183 CA THR A 440 9.081 -3.700 6.846 1.00 15.00 C ATOM 184 C THR A 440 10.469 -3.451 7.408 1.00 15.00 C ATOM 185 O THR A 440 10.989 -2.349 7.282 1.00 15.00 O ATOM 186 CB THR A 440 9.178 -4.434 5.497 1.00 15.00 C ATOM 187 OG1 THR A 440 9.362 -3.500 4.426 1.00 15.00 O ATOM 188 CG2 THR A 440 7.928 -5.253 5.236 1.00 15.00 C ATOM 0 H THR A 440 8.469 -1.993 5.822 1.00 15.00 H new ATOM 0 HA THR A 440 8.528 -4.339 7.535 1.00 15.00 H new ATOM 0 HB THR A 440 10.038 -5.102 5.546 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.141 -2.936 4.614 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.020 -5.762 4.277 1.00 15.00 H new ATOM 0 HG22 THR A 440 7.805 -5.991 6.028 1.00 15.00 H new ATOM 0 HG23 THR A 440 7.059 -4.595 5.215 1.00 15.00 H new ATOM 196 N ALA A 441 11.002 -4.449 8.115 1.00 15.00 N ATOM 197 CA ALA A 441 12.296 -4.369 8.812 1.00 15.00 C ATOM 198 C ALA A 441 13.401 -3.657 8.017 1.00 15.00 C ATOM 199 O ALA A 441 14.343 -3.130 8.611 1.00 15.00 O ATOM 200 CB ALA A 441 12.759 -5.766 9.188 1.00 15.00 C ATOM 0 H ALA A 441 10.542 -5.353 8.224 1.00 15.00 H new ATOM 0 HA ALA A 441 12.123 -3.760 9.699 1.00 15.00 H new ATOM 0 HB1 ALA A 441 13.717 -5.705 9.704 1.00 15.00 H new ATOM 0 HB2 ALA A 441 12.022 -6.229 9.844 1.00 15.00 H new ATOM 0 HB3 ALA A 441 12.870 -6.368 8.286 1.00 15.00 H new ATOM 206 N ASP A 442 13.288 -3.635 6.686 1.00 15.00 N ATOM 207 CA ASP A 442 14.246 -2.917 5.836 1.00 15.00 C ATOM 208 C ASP A 442 14.150 -1.410 6.078 1.00 15.00 C ATOM 209 O ASP A 442 14.975 -0.629 5.599 1.00 15.00 O ATOM 210 CB ASP A 442 13.979 -3.202 4.356 1.00 15.00 C ATOM 211 CG ASP A 442 12.865 -2.336 3.800 1.00 15.00 C ATOM 212 OD1 ASP A 442 11.708 -2.511 4.221 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.154 -1.459 2.959 1.00 15.00 O ATOM 0 H ASP A 442 12.543 -4.106 6.172 1.00 15.00 H new ATOM 0 HA ASP A 442 15.246 -3.266 6.094 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.891 -3.030 3.784 1.00 15.00 H new ATOM 0 HB3 ASP A 442 13.717 -4.253 4.231 1.00 15.00 H new ATOM 218 N GLY A 443 13.129 -1.018 6.816 1.00 15.00 N ATOM 219 CA GLY A 443 12.941 0.358 7.184 1.00 15.00 C ATOM 220 C GLY A 443 12.102 1.152 6.203 1.00 15.00 C ATOM 221 O GLY A 443 12.292 2.363 6.087 1.00 15.00 O ATOM 0 H GLY A 443 12.412 -1.649 7.173 1.00 15.00 H new ATOM 0 HA2 GLY A 443 12.469 0.399 8.166 1.00 15.00 H new ATOM 0 HA3 GLY A 443 13.917 0.834 7.279 1.00 15.00 H new ATOM 225 N LYS A 444 11.177 0.504 5.481 1.00 15.00 N ATOM 226 CA LYS A 444 10.186 1.266 4.717 1.00 15.00 C ATOM 227 C LYS A 444 8.879 0.489 4.512 1.00 15.00 C ATOM 228 O LYS A 444 8.778 -0.691 4.819 1.00 15.00 O ATOM 229 CB LYS A 444 10.579 1.590 3.354 1.00 15.00 C ATOM 230 CG LYS A 444 12.068 1.755 3.077 1.00 15.00 C ATOM 231 CD LYS A 444 12.328 2.178 1.637 1.00 15.00 C ATOM 232 CE LYS A 444 11.924 1.098 0.642 1.00 15.00 C ATOM 233 NZ LYS A 444 12.771 -0.119 0.755 1.00 15.00 N ATOM 0 H LYS A 444 11.096 -0.510 5.411 1.00 15.00 H new ATOM 0 HA LYS A 444 10.081 2.162 5.329 1.00 15.00 H new ATOM 0 HB2 LYS A 444 10.199 0.807 2.698 1.00 15.00 H new ATOM 0 HB3 LYS A 444 10.078 2.515 3.069 1.00 15.00 H new ATOM 0 HG2 LYS A 444 12.485 2.499 3.756 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.582 0.816 3.279 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.776 3.093 1.423 1.00 15.00 H new ATOM 0 HD3 LYS A 444 13.386 2.408 1.512 1.00 15.00 H new ATOM 0 HE2 LYS A 444 10.881 0.828 0.806 1.00 15.00 H new ATOM 0 HE3 LYS A 444 11.995 1.495 -0.371 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 12.538 -0.777 -0.016 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.774 0.149 0.691 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 12.594 -0.582 1.669 1.00 15.00 H new ATOM 247 N THR A 445 7.894 1.205 3.963 1.00 15.00 N ATOM 248 CA THR A 445 6.534 0.705 3.810 1.00 15.00 C ATOM 249 C THR A 445 6.256 0.172 2.423 1.00 15.00 C ATOM 250 O THR A 445 6.705 0.727 1.420 1.00 15.00 O ATOM 251 CB THR A 445 5.498 1.804 4.097 1.00 15.00 C ATOM 252 OG1 THR A 445 5.993 3.078 3.659 1.00 15.00 O ATOM 253 CG2 THR A 445 5.140 1.872 5.570 1.00 15.00 C ATOM 0 H THR A 445 8.023 2.154 3.611 1.00 15.00 H new ATOM 0 HA THR A 445 6.447 -0.108 4.531 1.00 15.00 H new ATOM 0 HB THR A 445 4.593 1.553 3.544 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.325 3.770 3.845 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.405 2.661 5.730 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.721 0.917 5.887 1.00 15.00 H new ATOM 0 HG23 THR A 445 6.036 2.087 6.153 1.00 15.00 H new ATOM 261 N TYR A 446 5.476 -0.889 2.391 1.00 15.00 N ATOM 262 CA TYR A 446 5.009 -1.474 1.154 1.00 15.00 C ATOM 263 C TYR A 446 3.487 -1.517 1.199 1.00 15.00 C ATOM 264 O TYR A 446 2.899 -1.714 2.267 1.00 15.00 O ATOM 265 CB TYR A 446 5.607 -2.874 0.966 1.00 15.00 C ATOM 266 CG TYR A 446 4.979 -3.950 1.829 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.274 -4.047 3.182 1.00 15.00 C ATOM 268 CD2 TYR A 446 4.093 -4.871 1.285 1.00 15.00 C ATOM 269 CE1 TYR A 446 4.703 -5.029 3.969 1.00 15.00 C ATOM 270 CE2 TYR A 446 3.517 -5.855 2.064 1.00 15.00 C ATOM 271 CZ TYR A 446 3.825 -5.930 3.406 1.00 15.00 C ATOM 272 OH TYR A 446 3.254 -6.912 4.185 1.00 15.00 O ATOM 0 H TYR A 446 5.147 -1.371 3.228 1.00 15.00 H new ATOM 0 HA TYR A 446 5.329 -0.875 0.302 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.505 -3.161 -0.081 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.675 -2.831 1.182 1.00 15.00 H new ATOM 0 HD1 TYR A 446 5.961 -3.343 3.627 1.00 15.00 H new ATOM 0 HD2 TYR A 446 3.850 -4.817 0.234 1.00 15.00 H new ATOM 0 HE1 TYR A 446 4.944 -5.090 5.020 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.829 -6.562 1.625 1.00 15.00 H new ATOM 0 HH TYR A 446 2.659 -7.462 3.634 1.00 15.00 H new ATOM 282 N TYR A 447 2.854 -1.336 0.057 1.00 15.00 N ATOM 283 CA TYR A 447 1.409 -1.204 0.008 1.00 15.00 C ATOM 284 C TYR A 447 0.745 -2.510 -0.409 1.00 15.00 C ATOM 285 O TYR A 447 1.099 -3.115 -1.421 1.00 15.00 O ATOM 286 CB TYR A 447 1.034 -0.063 -0.934 1.00 15.00 C ATOM 287 CG TYR A 447 1.591 1.268 -0.477 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.209 1.810 0.740 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.506 1.971 -1.249 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.716 3.017 1.180 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.019 3.180 -0.820 1.00 15.00 C ATOM 292 CZ TYR A 447 2.621 3.700 0.394 1.00 15.00 C ATOM 293 OH TYR A 447 3.128 4.909 0.816 1.00 15.00 O ATOM 0 H TYR A 447 3.316 -1.277 -0.850 1.00 15.00 H new ATOM 0 HA TYR A 447 1.043 -0.970 1.008 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.405 -0.285 -1.935 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.052 0.005 -1.004 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.500 1.278 1.357 1.00 15.00 H new ATOM 0 HD2 TYR A 447 2.822 1.567 -2.199 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.406 3.423 2.132 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.729 3.716 -1.433 1.00 15.00 H new ATOM 0 HH TYR A 447 3.752 5.254 0.144 1.00 15.00 H new ATOM 303 N TYR A 448 -0.227 -2.926 0.388 1.00 15.00 N ATOM 304 CA TYR A 448 -0.907 -4.197 0.198 1.00 15.00 C ATOM 305 C TYR A 448 -2.394 -3.987 -0.082 1.00 15.00 C ATOM 306 O TYR A 448 -3.103 -3.363 0.707 1.00 15.00 O ATOM 307 CB TYR A 448 -0.705 -5.049 1.454 1.00 15.00 C ATOM 308 CG TYR A 448 -1.416 -6.384 1.453 1.00 15.00 C ATOM 309 CD1 TYR A 448 -0.859 -7.486 0.823 1.00 15.00 C ATOM 310 CD2 TYR A 448 -2.634 -6.545 2.106 1.00 15.00 C ATOM 311 CE1 TYR A 448 -1.494 -8.711 0.837 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.273 -7.768 2.127 1.00 15.00 C ATOM 313 CZ TYR A 448 -2.700 -8.847 1.491 1.00 15.00 C ATOM 314 OH TYR A 448 -3.332 -10.070 1.512 1.00 15.00 O ATOM 0 H TYR A 448 -0.567 -2.390 1.187 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.486 -4.710 -0.667 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.363 -5.225 1.585 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.042 -4.477 2.319 1.00 15.00 H new ATOM 0 HD1 TYR A 448 0.087 -7.384 0.313 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -3.086 -5.700 2.604 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -1.048 -9.559 0.338 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.217 -7.878 2.639 1.00 15.00 H new ATOM 0 HH TYR A 448 -4.170 -9.997 2.015 1.00 15.00 H new ATOM 324 N ASN A 449 -2.851 -4.505 -1.211 1.00 15.00 N ATOM 325 CA ASN A 449 -4.262 -4.437 -1.588 1.00 15.00 C ATOM 326 C ASN A 449 -4.996 -5.660 -1.059 1.00 15.00 C ATOM 327 O ASN A 449 -4.596 -6.793 -1.341 1.00 15.00 O ATOM 328 CB ASN A 449 -4.413 -4.363 -3.109 1.00 15.00 C ATOM 329 CG ASN A 449 -5.865 -4.284 -3.551 1.00 15.00 C ATOM 330 OD1 ASN A 449 -6.532 -5.303 -3.727 1.00 15.00 O ATOM 331 ND2 ASN A 449 -6.361 -3.073 -3.746 1.00 15.00 N ATOM 0 H ASN A 449 -2.261 -4.983 -1.892 1.00 15.00 H new ATOM 0 HA ASN A 449 -4.693 -3.536 -1.152 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.876 -3.490 -3.481 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.948 -5.240 -3.559 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -7.327 -2.961 -4.053 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.777 -2.251 -3.590 1.00 15.00 H new ATOM 338 N ASN A 450 -6.082 -5.424 -0.328 1.00 15.00 N ATOM 339 CA ASN A 450 -6.781 -6.487 0.398 1.00 15.00 C ATOM 340 C ASN A 450 -7.653 -7.362 -0.506 1.00 15.00 C ATOM 341 O ASN A 450 -8.091 -8.436 -0.090 1.00 15.00 O ATOM 342 CB ASN A 450 -7.643 -5.894 1.519 1.00 15.00 C ATOM 343 CG ASN A 450 -6.826 -5.359 2.683 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.527 -6.084 3.632 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.470 -4.083 2.627 1.00 15.00 N ATOM 0 H ASN A 450 -6.501 -4.500 -0.221 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.006 -7.127 0.819 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.254 -5.088 1.111 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.328 -6.659 1.885 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -5.929 -3.670 3.387 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.737 -3.514 1.824 1.00 15.00 H new ATOM 352 N ARG A 451 -7.922 -6.912 -1.726 1.00 15.00 N ATOM 353 CA ARG A 451 -8.744 -7.695 -2.651 1.00 15.00 C ATOM 354 C ARG A 451 -7.913 -8.763 -3.335 1.00 15.00 C ATOM 355 O ARG A 451 -8.146 -9.958 -3.165 1.00 15.00 O ATOM 356 CB ARG A 451 -9.387 -6.805 -3.718 1.00 15.00 C ATOM 357 CG ARG A 451 -10.410 -5.830 -3.177 1.00 15.00 C ATOM 358 CD ARG A 451 -11.017 -4.991 -4.291 1.00 15.00 C ATOM 359 NE ARG A 451 -9.989 -4.326 -5.094 1.00 15.00 N ATOM 360 CZ ARG A 451 -9.824 -3.007 -5.148 1.00 15.00 C ATOM 361 NH1 ARG A 451 -10.625 -2.208 -4.454 1.00 15.00 N ATOM 362 NH2 ARG A 451 -8.849 -2.491 -5.889 1.00 15.00 N ATOM 0 H ARG A 451 -7.590 -6.022 -2.097 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.531 -8.165 -2.061 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -8.603 -6.246 -4.229 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -9.865 -7.439 -4.465 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -11.198 -6.377 -2.660 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -9.940 -5.177 -2.442 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -11.626 -5.627 -4.934 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -11.682 -4.243 -3.861 1.00 15.00 H new ATOM 0 HE ARG A 451 -9.361 -4.910 -5.646 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -11.368 -2.605 -3.879 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -10.498 -1.197 -4.496 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -8.228 -3.106 -6.415 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -8.721 -1.480 -5.931 1.00 15.00 H new ATOM 376 N THR A 452 -6.933 -8.317 -4.102 1.00 15.00 N ATOM 377 CA THR A 452 -6.100 -9.212 -4.884 1.00 15.00 C ATOM 378 C THR A 452 -4.923 -9.735 -4.067 1.00 15.00 C ATOM 379 O THR A 452 -4.154 -10.581 -4.533 1.00 15.00 O ATOM 380 CB THR A 452 -5.586 -8.478 -6.127 1.00 15.00 C ATOM 381 OG1 THR A 452 -5.193 -7.154 -5.753 1.00 15.00 O ATOM 382 CG2 THR A 452 -6.660 -8.408 -7.200 1.00 15.00 C ATOM 0 H THR A 452 -6.694 -7.330 -4.200 1.00 15.00 H new ATOM 0 HA THR A 452 -6.706 -10.067 -5.183 1.00 15.00 H new ATOM 0 HB THR A 452 -4.735 -9.024 -6.534 1.00 15.00 H new ATOM 0 HG1 THR A 452 -4.894 -6.665 -6.548 1.00 15.00 H new ATOM 0 HG21 THR A 452 -6.270 -7.882 -8.072 1.00 15.00 H new ATOM 0 HG22 THR A 452 -6.954 -9.418 -7.487 1.00 15.00 H new ATOM 0 HG23 THR A 452 -7.527 -7.874 -6.812 1.00 15.00 H new ATOM 390 N GLU A 453 -4.793 -9.214 -2.843 1.00 15.00 N ATOM 391 CA GLU A 453 -3.721 -9.603 -1.928 1.00 15.00 C ATOM 392 C GLU A 453 -2.363 -9.239 -2.520 1.00 15.00 C ATOM 393 O GLU A 453 -1.366 -9.921 -2.290 1.00 15.00 O ATOM 394 CB GLU A 453 -3.789 -11.102 -1.624 1.00 15.00 C ATOM 395 CG GLU A 453 -5.113 -11.543 -1.020 1.00 15.00 C ATOM 396 CD GLU A 453 -5.133 -13.014 -0.670 1.00 15.00 C ATOM 397 OE1 GLU A 453 -4.921 -13.848 -1.573 1.00 15.00 O ATOM 398 OE2 GLU A 453 -5.370 -13.347 0.510 1.00 15.00 O ATOM 0 H GLU A 453 -5.428 -8.512 -2.461 1.00 15.00 H new ATOM 0 HA GLU A 453 -3.850 -9.059 -0.993 1.00 15.00 H new ATOM 0 HB2 GLU A 453 -3.616 -11.659 -2.545 1.00 15.00 H new ATOM 0 HB3 GLU A 453 -2.982 -11.362 -0.938 1.00 15.00 H new ATOM 0 HG2 GLU A 453 -5.311 -10.957 -0.122 1.00 15.00 H new ATOM 0 HG3 GLU A 453 -5.918 -11.330 -1.724 1.00 15.00 H new ATOM 405 N GLU A 454 -2.321 -8.120 -3.231 1.00 15.00 N ATOM 406 CA GLU A 454 -1.116 -7.735 -3.959 1.00 15.00 C ATOM 407 C GLU A 454 -0.290 -6.741 -3.154 1.00 15.00 C ATOM 408 O GLU A 454 -0.807 -5.741 -2.659 1.00 15.00 O ATOM 409 CB GLU A 454 -1.469 -7.155 -5.337 1.00 15.00 C ATOM 410 CG GLU A 454 -2.304 -5.885 -5.292 1.00 15.00 C ATOM 411 CD GLU A 454 -2.637 -5.356 -6.673 1.00 15.00 C ATOM 412 OE1 GLU A 454 -3.598 -5.859 -7.288 1.00 15.00 O ATOM 413 OE2 GLU A 454 -1.935 -4.447 -7.156 1.00 15.00 O ATOM 0 H GLU A 454 -3.099 -7.467 -3.320 1.00 15.00 H new ATOM 0 HA GLU A 454 -0.516 -8.632 -4.112 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -0.545 -6.948 -5.878 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -2.010 -7.910 -5.907 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -3.229 -6.082 -4.750 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -1.764 -5.120 -4.734 1.00 15.00 H new ATOM 420 N SER A 455 0.992 -7.029 -3.018 1.00 15.00 N ATOM 421 CA SER A 455 1.894 -6.168 -2.278 1.00 15.00 C ATOM 422 C SER A 455 2.931 -5.541 -3.209 1.00 15.00 C ATOM 423 O SER A 455 3.701 -6.244 -3.866 1.00 15.00 O ATOM 424 CB SER A 455 2.570 -6.972 -1.167 1.00 15.00 C ATOM 425 OG SER A 455 3.044 -8.220 -1.650 1.00 15.00 O ATOM 0 H SER A 455 1.433 -7.859 -3.414 1.00 15.00 H new ATOM 0 HA SER A 455 1.323 -5.356 -1.828 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.401 -6.400 -0.755 1.00 15.00 H new ATOM 0 HB3 SER A 455 1.863 -7.139 -0.354 1.00 15.00 H new ATOM 0 HG SER A 455 3.438 -8.098 -2.539 1.00 15.00 H new ATOM 431 N THR A 456 2.938 -4.221 -3.273 1.00 15.00 N ATOM 432 CA THR A 456 3.860 -3.500 -4.134 1.00 15.00 C ATOM 433 C THR A 456 4.361 -2.237 -3.440 1.00 15.00 C ATOM 434 O THR A 456 3.671 -1.670 -2.594 1.00 15.00 O ATOM 435 CB THR A 456 3.209 -3.134 -5.488 1.00 15.00 C ATOM 436 OG1 THR A 456 4.158 -2.459 -6.321 1.00 15.00 O ATOM 437 CG2 THR A 456 1.982 -2.252 -5.295 1.00 15.00 C ATOM 0 H THR A 456 2.311 -3.623 -2.735 1.00 15.00 H new ATOM 0 HA THR A 456 4.704 -4.160 -4.333 1.00 15.00 H new ATOM 0 HB THR A 456 2.892 -4.060 -5.967 1.00 15.00 H new ATOM 0 HG1 THR A 456 3.739 -2.232 -7.177 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.549 -2.013 -6.266 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.246 -2.780 -4.689 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.272 -1.330 -4.791 1.00 15.00 H new ATOM 445 N TRP A 457 5.576 -1.821 -3.769 1.00 15.00 N ATOM 446 CA TRP A 457 6.146 -0.613 -3.191 1.00 15.00 C ATOM 447 C TRP A 457 5.613 0.628 -3.900 1.00 15.00 C ATOM 448 O TRP A 457 5.884 1.759 -3.490 1.00 15.00 O ATOM 449 CB TRP A 457 7.671 -0.638 -3.278 1.00 15.00 C ATOM 450 CG TRP A 457 8.304 -1.772 -2.532 1.00 15.00 C ATOM 451 CD1 TRP A 457 8.596 -3.015 -3.011 1.00 15.00 C ATOM 452 CD2 TRP A 457 8.707 -1.767 -1.159 1.00 15.00 C ATOM 453 NE1 TRP A 457 9.175 -3.776 -2.023 1.00 15.00 N ATOM 454 CE2 TRP A 457 9.250 -3.032 -0.875 1.00 15.00 C ATOM 455 CE3 TRP A 457 8.665 -0.811 -0.147 1.00 15.00 C ATOM 456 CZ2 TRP A 457 9.748 -3.362 0.385 1.00 15.00 C ATOM 457 CZ3 TRP A 457 9.155 -1.140 1.100 1.00 15.00 C ATOM 458 CH2 TRP A 457 9.689 -2.400 1.359 1.00 15.00 C ATOM 0 H TRP A 457 6.185 -2.301 -4.432 1.00 15.00 H new ATOM 0 HA TRP A 457 5.852 -0.576 -2.142 1.00 15.00 H new ATOM 0 HB2 TRP A 457 7.964 -0.697 -4.326 1.00 15.00 H new ATOM 0 HB3 TRP A 457 8.063 0.302 -2.890 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.401 -3.352 -4.018 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.497 -4.738 -2.128 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.256 0.171 -0.335 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 10.164 -4.338 0.585 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.124 -0.406 1.891 1.00 15.00 H new ATOM 0 HH2 TRP A 457 10.064 -2.623 2.347 1.00 15.00 H new ATOM 469 N GLU A 458 4.864 0.408 -4.972 1.00 15.00 N ATOM 470 CA GLU A 458 4.287 1.501 -5.734 1.00 15.00 C ATOM 471 C GLU A 458 3.080 2.065 -4.996 1.00 15.00 C ATOM 472 O GLU A 458 2.257 1.317 -4.466 1.00 15.00 O ATOM 473 CB GLU A 458 3.879 1.026 -7.128 1.00 15.00 C ATOM 474 CG GLU A 458 3.421 2.158 -8.033 1.00 15.00 C ATOM 475 CD GLU A 458 4.489 3.218 -8.218 1.00 15.00 C ATOM 476 OE1 GLU A 458 4.601 4.116 -7.356 1.00 15.00 O ATOM 477 OE2 GLU A 458 5.225 3.152 -9.224 1.00 15.00 O ATOM 0 H GLU A 458 4.643 -0.520 -5.332 1.00 15.00 H new ATOM 0 HA GLU A 458 5.036 2.285 -5.844 1.00 15.00 H new ATOM 0 HB2 GLU A 458 4.723 0.516 -7.593 1.00 15.00 H new ATOM 0 HB3 GLU A 458 3.076 0.295 -7.036 1.00 15.00 H new ATOM 0 HG2 GLU A 458 3.143 1.752 -9.006 1.00 15.00 H new ATOM 0 HG3 GLU A 458 2.526 2.617 -7.612 1.00 15.00 H new ATOM 484 N LYS A 459 2.972 3.383 -4.983 1.00 15.00 N ATOM 485 CA LYS A 459 1.905 4.054 -4.261 1.00 15.00 C ATOM 486 C LYS A 459 0.559 3.811 -4.944 1.00 15.00 C ATOM 487 O LYS A 459 0.419 4.008 -6.152 1.00 15.00 O ATOM 488 CB LYS A 459 2.206 5.551 -4.158 1.00 15.00 C ATOM 489 CG LYS A 459 1.253 6.307 -3.247 1.00 15.00 C ATOM 490 CD LYS A 459 1.772 7.697 -2.902 1.00 15.00 C ATOM 491 CE LYS A 459 2.860 7.662 -1.830 1.00 15.00 C ATOM 492 NZ LYS A 459 4.152 7.111 -2.327 1.00 15.00 N ATOM 0 H LYS A 459 3.613 4.012 -5.467 1.00 15.00 H new ATOM 0 HA LYS A 459 1.847 3.643 -3.253 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.224 5.683 -3.793 1.00 15.00 H new ATOM 0 HB3 LYS A 459 2.166 5.990 -5.155 1.00 15.00 H new ATOM 0 HG2 LYS A 459 0.281 6.394 -3.732 1.00 15.00 H new ATOM 0 HG3 LYS A 459 1.102 5.739 -2.329 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.167 8.168 -3.802 1.00 15.00 H new ATOM 0 HD3 LYS A 459 0.944 8.316 -2.556 1.00 15.00 H new ATOM 0 HE2 LYS A 459 3.023 8.672 -1.453 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.514 7.060 -0.989 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 4.939 7.546 -1.804 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 4.168 6.081 -2.183 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 4.252 7.321 -3.341 1.00 15.00 H new ATOM 506 N PRO A 460 -0.449 3.385 -4.163 1.00 15.00 N ATOM 507 CA PRO A 460 -1.775 3.044 -4.686 1.00 15.00 C ATOM 508 C PRO A 460 -2.467 4.232 -5.342 1.00 15.00 C ATOM 509 O PRO A 460 -2.320 5.375 -4.903 1.00 15.00 O ATOM 510 CB PRO A 460 -2.558 2.603 -3.446 1.00 15.00 C ATOM 511 CG PRO A 460 -1.529 2.309 -2.412 1.00 15.00 C ATOM 512 CD PRO A 460 -0.373 3.213 -2.708 1.00 15.00 C ATOM 0 HA PRO A 460 -1.711 2.281 -5.461 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.238 3.387 -3.112 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -3.165 1.723 -3.657 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.920 2.491 -1.411 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.225 1.263 -2.451 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -0.461 4.165 -2.184 1.00 15.00 H new ATOM 0 HD3 PRO A 460 0.575 2.769 -2.404 1.00 15.00 H new ATOM 520 N GLN A 461 -3.267 3.939 -6.357 1.00 15.00 N ATOM 521 CA GLN A 461 -3.965 4.963 -7.129 1.00 15.00 C ATOM 522 C GLN A 461 -4.939 5.740 -6.258 1.00 15.00 C ATOM 523 O GLN A 461 -5.335 6.857 -6.584 1.00 15.00 O ATOM 524 CB GLN A 461 -4.738 4.303 -8.255 1.00 15.00 C ATOM 525 CG GLN A 461 -5.001 5.215 -9.439 1.00 15.00 C ATOM 526 CD GLN A 461 -5.902 4.570 -10.466 1.00 15.00 C ATOM 527 OE1 GLN A 461 -5.437 3.896 -11.383 1.00 15.00 O ATOM 528 NE2 GLN A 461 -7.200 4.774 -10.318 1.00 15.00 N ATOM 0 H GLN A 461 -3.452 2.986 -6.670 1.00 15.00 H new ATOM 0 HA GLN A 461 -3.222 5.654 -7.526 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -4.185 3.429 -8.598 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.691 3.945 -7.866 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -5.457 6.141 -9.088 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -4.054 5.483 -9.906 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -7.542 5.340 -9.542 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -7.859 4.365 -10.980 1.00 15.00 H new ATOM 537 N GLU A 462 -5.361 5.112 -5.181 1.00 15.00 N ATOM 538 CA GLU A 462 -6.298 5.731 -4.252 1.00 15.00 C ATOM 539 C GLU A 462 -5.586 6.297 -3.023 1.00 15.00 C ATOM 540 O GLU A 462 -6.230 6.806 -2.106 1.00 15.00 O ATOM 541 CB GLU A 462 -7.365 4.720 -3.834 1.00 15.00 C ATOM 542 CG GLU A 462 -6.805 3.432 -3.257 1.00 15.00 C ATOM 543 CD GLU A 462 -7.879 2.386 -3.066 1.00 15.00 C ATOM 544 OE1 GLU A 462 -8.283 1.765 -4.073 1.00 15.00 O ATOM 545 OE2 GLU A 462 -8.327 2.189 -1.919 1.00 15.00 O ATOM 0 H GLU A 462 -5.072 4.169 -4.922 1.00 15.00 H new ATOM 0 HA GLU A 462 -6.776 6.566 -4.765 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -8.019 5.183 -3.095 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.982 4.480 -4.700 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -6.033 3.043 -3.921 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -6.327 3.641 -2.300 1.00 15.00 H new ATOM 552 N LEU A 463 -4.260 6.229 -3.013 1.00 15.00 N ATOM 553 CA LEU A 463 -3.484 6.758 -1.896 1.00 15.00 C ATOM 554 C LEU A 463 -2.483 7.799 -2.394 1.00 15.00 C ATOM 555 O LEU A 463 -1.705 8.360 -1.619 1.00 15.00 O ATOM 556 CB LEU A 463 -2.758 5.621 -1.168 1.00 15.00 C ATOM 557 CG LEU A 463 -2.081 6.009 0.150 1.00 15.00 C ATOM 558 CD1 LEU A 463 -3.110 6.501 1.159 1.00 15.00 C ATOM 559 CD2 LEU A 463 -1.308 4.831 0.715 1.00 15.00 C ATOM 0 H LEU A 463 -3.702 5.816 -3.760 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.164 7.240 -1.194 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.475 4.825 -0.967 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.003 5.209 -1.837 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.382 6.821 -0.050 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.608 6.771 2.088 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.625 7.374 0.757 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.834 5.710 1.355 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.833 5.123 1.651 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.991 4.002 0.898 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.544 4.521 0.002 1.00 15.00 H new ATOM 571 N LYS A 464 -2.527 8.057 -3.696 1.00 15.00 N ATOM 572 CA LYS A 464 -1.648 9.032 -4.331 1.00 15.00 C ATOM 573 C LYS A 464 -1.845 10.419 -3.731 1.00 15.00 C ATOM 574 O LYS A 464 -0.855 11.008 -3.253 1.00 15.00 O ATOM 575 CB LYS A 464 -1.893 9.079 -5.840 1.00 15.00 C ATOM 576 CG LYS A 464 -3.362 9.178 -6.213 1.00 15.00 C ATOM 577 CD LYS A 464 -3.572 10.029 -7.452 1.00 15.00 C ATOM 578 CE LYS A 464 -3.240 11.488 -7.178 1.00 15.00 C ATOM 579 NZ LYS A 464 -4.030 12.034 -6.038 1.00 15.00 N ATOM 580 OXT LYS A 464 -2.995 10.911 -3.723 1.00 15.00 O ATOM 0 H LYS A 464 -3.171 7.598 -4.340 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.620 8.718 -4.150 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -1.361 9.933 -6.260 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -1.470 8.184 -6.297 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -3.761 8.179 -6.386 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -3.921 9.604 -5.380 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -2.946 9.657 -8.263 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -4.607 9.945 -7.784 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -2.176 11.583 -6.961 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -3.437 12.079 -8.072 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -4.042 13.073 -6.090 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -5.004 11.674 -6.087 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -3.596 11.737 -5.141 1.00 15.00 H new TER 594 LYS A 464