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 140:sc= -1.1 USER MOD Set 1.2: A 454 TYR OH : rot 180:sc=-0.00921 USER MOD Set 2.1: A 436 THR OG1 : rot 180:sc= -0.365 USER MOD Set 2.2: A 450 ASN : amide:sc= -0.425 K(o=-0.79,f=2.1) USER MOD Set 3.1: A 447 TYR OH : rot 30:sc= 1 USER MOD Set 3.2: A 459 LYS NZ :NH3+ 141:sc= 0.427 (180deg=-1.85!) 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 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 155:sc= -0.454! USER MOD Single : A 444 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0.803) USER MOD Single : A 445 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot 180:sc=-0.00587 USER MOD Single : A 449 ASN : amide:sc= -6.83! C(o=-6.8!,f=-25!) USER MOD Single : A 455 SER OG : rot 51:sc= 0.00834 USER MOD Single : A 456 THR OG1 : rot -103:sc= 0.939 USER MOD Single : A 461 GLN : amide:sc= -5.76! K(o=-5.8!,f=-0.83) USER MOD Single : A 464 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -6.252 10.264 5.647 1.00 15.00 N ATOM 2 CA GLY A 428 -6.893 11.101 6.693 1.00 15.00 C ATOM 3 C GLY A 428 -8.356 10.764 6.896 1.00 15.00 C ATOM 4 O GLY A 428 -8.755 10.331 7.978 1.00 15.00 O ATOM 0 HA2 GLY A 428 -6.360 10.970 7.635 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -6.801 12.152 6.419 1.00 15.00 H new ATOM 10 N ALA A 429 -9.152 10.954 5.849 1.00 15.00 N ATOM 11 CA ALA A 429 -10.597 10.779 5.934 1.00 15.00 C ATOM 12 C ALA A 429 -10.979 9.312 6.093 1.00 15.00 C ATOM 13 O ALA A 429 -10.910 8.537 5.139 1.00 15.00 O ATOM 14 CB ALA A 429 -11.271 11.365 4.706 1.00 15.00 C ATOM 0 H ALA A 429 -8.818 11.231 4.926 1.00 15.00 H new ATOM 0 HA ALA A 429 -10.942 11.310 6.821 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -12.350 11.227 4.782 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -11.045 12.429 4.640 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -10.903 10.860 3.813 1.00 15.00 H new ATOM 20 N THR A 430 -11.379 8.953 7.308 1.00 15.00 N ATOM 21 CA THR A 430 -11.802 7.599 7.643 1.00 15.00 C ATOM 22 C THR A 430 -10.698 6.563 7.353 1.00 15.00 C ATOM 23 O THR A 430 -9.830 6.350 8.201 1.00 15.00 O ATOM 24 CB THR A 430 -13.141 7.244 6.946 1.00 15.00 C ATOM 25 OG1 THR A 430 -14.157 8.156 7.386 1.00 15.00 O ATOM 26 CG2 THR A 430 -13.575 5.815 7.253 1.00 15.00 C ATOM 0 H THR A 430 -11.419 9.600 8.095 1.00 15.00 H new ATOM 0 HA THR A 430 -11.979 7.564 8.718 1.00 15.00 H new ATOM 0 HB THR A 430 -12.995 7.326 5.869 1.00 15.00 H new ATOM 0 HG1 THR A 430 -15.005 7.937 6.947 1.00 15.00 H new ATOM 0 HG21 THR A 430 -14.517 5.604 6.747 1.00 15.00 H new ATOM 0 HG22 THR A 430 -12.812 5.120 6.903 1.00 15.00 H new ATOM 0 HG23 THR A 430 -13.707 5.698 8.329 1.00 15.00 H new ATOM 34 N ALA A 431 -10.699 5.965 6.155 1.00 15.00 N ATOM 35 CA ALA A 431 -9.751 4.920 5.792 1.00 15.00 C ATOM 36 C ALA A 431 -10.082 4.387 4.408 1.00 15.00 C ATOM 37 O ALA A 431 -11.252 4.202 4.072 1.00 15.00 O ATOM 38 CB ALA A 431 -9.774 3.777 6.800 1.00 15.00 C ATOM 0 H ALA A 431 -11.360 6.197 5.414 1.00 15.00 H new ATOM 0 HA ALA A 431 -8.751 5.354 5.792 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -9.056 3.014 6.501 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -9.510 4.157 7.787 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -10.773 3.342 6.834 1.00 15.00 H new ATOM 44 N VAL A 432 -9.060 4.160 3.602 1.00 15.00 N ATOM 45 CA VAL A 432 -9.252 3.566 2.291 1.00 15.00 C ATOM 46 C VAL A 432 -9.018 2.061 2.364 1.00 15.00 C ATOM 47 O VAL A 432 -8.062 1.600 2.987 1.00 15.00 O ATOM 48 CB VAL A 432 -8.327 4.197 1.226 1.00 15.00 C ATOM 49 CG1 VAL A 432 -8.632 5.676 1.059 1.00 15.00 C ATOM 50 CG2 VAL A 432 -6.865 3.990 1.581 1.00 15.00 C ATOM 0 H VAL A 432 -8.090 4.378 3.832 1.00 15.00 H new ATOM 0 HA VAL A 432 -10.280 3.763 1.987 1.00 15.00 H new ATOM 0 HB VAL A 432 -8.518 3.696 0.277 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -7.970 6.101 0.305 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -9.668 5.801 0.744 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -8.477 6.189 2.008 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -6.237 4.444 0.815 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -6.655 4.455 2.544 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -6.652 2.923 1.639 1.00 15.00 H new ATOM 60 N SER A 433 -9.905 1.295 1.758 1.00 15.00 N ATOM 61 CA SER A 433 -9.795 -0.153 1.795 1.00 15.00 C ATOM 62 C SER A 433 -9.350 -0.705 0.445 1.00 15.00 C ATOM 63 O SER A 433 -9.167 -1.913 0.285 1.00 15.00 O ATOM 64 CB SER A 433 -11.131 -0.766 2.202 1.00 15.00 C ATOM 65 OG SER A 433 -11.599 -0.198 3.414 1.00 15.00 O ATOM 0 H SER A 433 -10.707 1.648 1.236 1.00 15.00 H new ATOM 0 HA SER A 433 -9.039 -0.420 2.533 1.00 15.00 H new ATOM 0 HB2 SER A 433 -11.865 -0.605 1.413 1.00 15.00 H new ATOM 0 HB3 SER A 433 -11.021 -1.844 2.320 1.00 15.00 H new ATOM 0 HG SER A 433 -12.458 -0.604 3.656 1.00 15.00 H new ATOM 71 N GLU A 434 -9.170 0.185 -0.521 1.00 15.00 N ATOM 72 CA GLU A 434 -8.718 -0.217 -1.844 1.00 15.00 C ATOM 73 C GLU A 434 -7.244 -0.543 -1.830 1.00 15.00 C ATOM 74 O GLU A 434 -6.762 -1.334 -2.636 1.00 15.00 O ATOM 75 CB GLU A 434 -8.970 0.879 -2.863 1.00 15.00 C ATOM 76 CG GLU A 434 -8.385 2.225 -2.491 1.00 15.00 C ATOM 77 CD GLU A 434 -8.507 3.228 -3.616 1.00 15.00 C ATOM 78 OE1 GLU A 434 -9.605 3.789 -3.802 1.00 15.00 O ATOM 79 OE2 GLU A 434 -7.510 3.430 -4.333 1.00 15.00 O ATOM 0 H GLU A 434 -9.330 1.187 -0.413 1.00 15.00 H new ATOM 0 HA GLU A 434 -9.285 -1.105 -2.125 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -8.555 0.569 -3.822 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -10.046 0.990 -3.001 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -8.893 2.609 -1.607 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -7.335 2.103 -2.227 1.00 15.00 H new ATOM 86 N TRP A 435 -6.538 0.061 -0.900 1.00 15.00 N ATOM 87 CA TRP A 435 -5.105 -0.064 -0.839 1.00 15.00 C ATOM 88 C TRP A 435 -4.745 -1.247 0.010 1.00 15.00 C ATOM 89 O TRP A 435 -5.379 -1.496 1.034 1.00 15.00 O ATOM 90 CB TRP A 435 -4.495 1.207 -0.254 1.00 15.00 C ATOM 91 CG TRP A 435 -4.319 2.287 -1.267 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.241 3.212 -1.668 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.136 2.545 -2.020 1.00 15.00 C ATOM 94 NE1 TRP A 435 -4.698 4.025 -2.635 1.00 15.00 N ATOM 95 CE2 TRP A 435 -3.400 3.638 -2.860 1.00 15.00 C ATOM 96 CE3 TRP A 435 -1.874 1.952 -2.053 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -2.445 4.149 -3.736 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -0.928 2.457 -2.917 1.00 15.00 C ATOM 99 CH2 TRP A 435 -1.212 3.545 -3.746 1.00 15.00 C ATOM 0 H TRP A 435 -6.941 0.649 -0.170 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.711 -0.209 -1.845 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -5.132 1.572 0.552 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -3.527 0.969 0.188 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -6.247 3.293 -1.283 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -5.180 4.790 -3.107 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.643 1.113 -1.413 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.666 4.986 -4.381 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 0.051 2.004 -2.954 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -0.446 3.919 -4.409 1.00 15.00 H new ATOM 110 N THR A 436 -3.728 -1.974 -0.395 1.00 15.00 N ATOM 111 CA THR A 436 -3.355 -3.120 0.341 1.00 15.00 C ATOM 112 C THR A 436 -1.899 -3.001 0.755 1.00 15.00 C ATOM 113 O THR A 436 -1.093 -2.438 0.025 1.00 15.00 O ATOM 114 CB THR A 436 -3.633 -4.455 -0.392 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.946 -4.908 -0.070 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.638 -5.538 -0.007 1.00 15.00 C ATOM 0 H THR A 436 -3.162 -1.781 -1.221 1.00 15.00 H new ATOM 0 HA THR A 436 -3.988 -3.154 1.228 1.00 15.00 H new ATOM 0 HB THR A 436 -3.536 -4.267 -1.461 1.00 15.00 H new ATOM 0 HG1 THR A 436 -5.124 -5.752 -0.535 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.873 -6.456 -0.546 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.630 -5.214 -0.264 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.697 -5.722 1.066 1.00 15.00 H new ATOM 124 N GLU A 437 -1.572 -3.455 1.938 1.00 15.00 N ATOM 125 CA GLU A 437 -0.176 -3.491 2.343 1.00 15.00 C ATOM 126 C GLU A 437 0.313 -4.927 2.500 1.00 15.00 C ATOM 127 O GLU A 437 -0.318 -5.755 3.153 1.00 15.00 O ATOM 128 CB GLU A 437 0.066 -2.681 3.624 1.00 15.00 C ATOM 129 CG GLU A 437 -0.454 -3.303 4.908 1.00 15.00 C ATOM 130 CD GLU A 437 -1.960 -3.488 4.937 1.00 15.00 C ATOM 131 OE1 GLU A 437 -2.678 -2.671 4.330 1.00 15.00 O ATOM 132 OE2 GLU A 437 -2.431 -4.441 5.589 1.00 15.00 O ATOM 0 H GLU A 437 -2.234 -3.801 2.632 1.00 15.00 H new ATOM 0 HA GLU A 437 0.405 -3.022 1.549 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.138 -2.517 3.730 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -0.396 -1.701 3.504 1.00 15.00 H new ATOM 0 HG2 GLU A 437 0.024 -4.272 5.050 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -0.159 -2.676 5.749 1.00 15.00 H new ATOM 139 N TYR A 438 1.449 -5.209 1.883 1.00 15.00 N ATOM 140 CA TYR A 438 2.065 -6.522 1.974 1.00 15.00 C ATOM 141 C TYR A 438 3.494 -6.394 2.454 1.00 15.00 C ATOM 142 O TYR A 438 4.165 -5.393 2.186 1.00 15.00 O ATOM 143 CB TYR A 438 2.076 -7.250 0.626 1.00 15.00 C ATOM 144 CG TYR A 438 0.731 -7.758 0.156 1.00 15.00 C ATOM 145 CD1 TYR A 438 -0.067 -8.537 0.983 1.00 15.00 C ATOM 146 CD2 TYR A 438 0.275 -7.485 -1.128 1.00 15.00 C ATOM 147 CE1 TYR A 438 -1.285 -9.026 0.546 1.00 15.00 C ATOM 148 CE2 TYR A 438 -0.942 -7.968 -1.571 1.00 15.00 C ATOM 149 CZ TYR A 438 -1.716 -8.738 -0.731 1.00 15.00 C ATOM 150 OH TYR A 438 -2.931 -9.219 -1.165 1.00 15.00 O ATOM 0 H TYR A 438 1.966 -4.541 1.310 1.00 15.00 H new ATOM 0 HA TYR A 438 1.469 -7.101 2.680 1.00 15.00 H new ATOM 0 HB2 TYR A 438 2.475 -6.574 -0.130 1.00 15.00 H new ATOM 0 HB3 TYR A 438 2.762 -8.094 0.693 1.00 15.00 H new ATOM 0 HD1 TYR A 438 0.269 -8.765 1.984 1.00 15.00 H new ATOM 0 HD2 TYR A 438 0.882 -6.886 -1.791 1.00 15.00 H new ATOM 0 HE1 TYR A 438 -1.895 -9.630 1.202 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -1.284 -7.743 -2.570 1.00 15.00 H new ATOM 0 HH TYR A 438 -3.088 -8.926 -2.087 1.00 15.00 H new ATOM 160 N LYS A 439 3.963 -7.417 3.144 1.00 15.00 N ATOM 161 CA LYS A 439 5.350 -7.464 3.561 1.00 15.00 C ATOM 162 C LYS A 439 6.069 -8.643 2.968 1.00 15.00 C ATOM 163 O LYS A 439 5.491 -9.700 2.718 1.00 15.00 O ATOM 164 CB LYS A 439 5.530 -7.524 5.072 1.00 15.00 C ATOM 165 CG LYS A 439 5.495 -6.172 5.738 1.00 15.00 C ATOM 166 CD LYS A 439 4.075 -5.750 6.061 1.00 15.00 C ATOM 167 CE LYS A 439 4.036 -4.527 6.960 1.00 15.00 C ATOM 168 NZ LYS A 439 2.649 -4.179 7.373 1.00 15.00 N ATOM 0 H LYS A 439 3.406 -8.223 3.426 1.00 15.00 H new ATOM 0 HA LYS A 439 5.776 -6.530 3.195 1.00 15.00 H new ATOM 0 HB2 LYS A 439 4.746 -8.150 5.498 1.00 15.00 H new ATOM 0 HB3 LYS A 439 6.481 -8.006 5.297 1.00 15.00 H new ATOM 0 HG2 LYS A 439 6.085 -6.201 6.654 1.00 15.00 H new ATOM 0 HG3 LYS A 439 5.957 -5.431 5.085 1.00 15.00 H new ATOM 0 HD2 LYS A 439 3.541 -5.537 5.135 1.00 15.00 H new ATOM 0 HD3 LYS A 439 3.553 -6.574 6.547 1.00 15.00 H new ATOM 0 HE2 LYS A 439 4.643 -4.710 7.847 1.00 15.00 H new ATOM 0 HE3 LYS A 439 4.482 -3.680 6.438 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 2.670 -3.339 7.985 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 2.075 -3.978 6.529 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 2.231 -4.977 7.894 1.00 15.00 H new ATOM 182 N THR A 440 7.341 -8.433 2.775 1.00 15.00 N ATOM 183 CA THR A 440 8.260 -9.496 2.429 1.00 15.00 C ATOM 184 C THR A 440 8.833 -10.049 3.717 1.00 15.00 C ATOM 185 O THR A 440 8.860 -9.337 4.717 1.00 15.00 O ATOM 186 CB THR A 440 9.414 -9.020 1.534 1.00 15.00 C ATOM 187 OG1 THR A 440 10.187 -8.043 2.229 1.00 15.00 O ATOM 188 CG2 THR A 440 8.900 -8.438 0.229 1.00 15.00 C ATOM 0 H THR A 440 7.778 -7.515 2.852 1.00 15.00 H new ATOM 0 HA THR A 440 7.711 -10.250 1.866 1.00 15.00 H new ATOM 0 HB THR A 440 10.037 -9.882 1.295 1.00 15.00 H new ATOM 0 HG1 THR A 440 11.099 -8.031 1.869 1.00 15.00 H new ATOM 0 HG21 THR A 440 9.743 -8.111 -0.380 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.335 -9.198 -0.311 1.00 15.00 H new ATOM 0 HG23 THR A 440 8.253 -7.587 0.440 1.00 15.00 H new ATOM 196 N ALA A 441 9.195 -11.320 3.732 1.00 15.00 N ATOM 197 CA ALA A 441 9.843 -11.919 4.899 1.00 15.00 C ATOM 198 C ALA A 441 10.949 -11.023 5.486 1.00 15.00 C ATOM 199 O ALA A 441 11.193 -11.044 6.693 1.00 15.00 O ATOM 200 CB ALA A 441 10.415 -13.277 4.530 1.00 15.00 C ATOM 0 H ALA A 441 9.054 -11.962 2.952 1.00 15.00 H new ATOM 0 HA ALA A 441 9.081 -12.033 5.670 1.00 15.00 H new ATOM 0 HB1 ALA A 441 10.896 -13.718 5.403 1.00 15.00 H new ATOM 0 HB2 ALA A 441 9.611 -13.930 4.190 1.00 15.00 H new ATOM 0 HB3 ALA A 441 11.148 -13.158 3.732 1.00 15.00 H new ATOM 206 N ASP A 442 11.606 -10.229 4.637 1.00 15.00 N ATOM 207 CA ASP A 442 12.677 -9.337 5.097 1.00 15.00 C ATOM 208 C ASP A 442 12.120 -7.992 5.589 1.00 15.00 C ATOM 209 O ASP A 442 12.873 -7.114 6.006 1.00 15.00 O ATOM 210 CB ASP A 442 13.720 -9.117 3.993 1.00 15.00 C ATOM 211 CG ASP A 442 13.193 -8.328 2.813 1.00 15.00 C ATOM 212 OD1 ASP A 442 12.567 -8.931 1.915 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.412 -7.101 2.766 1.00 15.00 O ATOM 0 H ASP A 442 11.419 -10.184 3.635 1.00 15.00 H new ATOM 0 HA ASP A 442 13.166 -9.824 5.941 1.00 15.00 H new ATOM 0 HB2 ASP A 442 14.579 -8.595 4.414 1.00 15.00 H new ATOM 0 HB3 ASP A 442 14.076 -10.086 3.642 1.00 15.00 H new ATOM 218 N GLY A 443 10.800 -7.846 5.539 1.00 15.00 N ATOM 219 CA GLY A 443 10.131 -6.721 6.173 1.00 15.00 C ATOM 220 C GLY A 443 9.971 -5.534 5.257 1.00 15.00 C ATOM 221 O GLY A 443 9.951 -4.386 5.707 1.00 15.00 O ATOM 0 H GLY A 443 10.173 -8.496 5.064 1.00 15.00 H new ATOM 0 HA2 GLY A 443 9.148 -7.039 6.520 1.00 15.00 H new ATOM 0 HA3 GLY A 443 10.698 -6.419 7.054 1.00 15.00 H new ATOM 225 N LYS A 444 9.855 -5.806 3.969 1.00 15.00 N ATOM 226 CA LYS A 444 9.530 -4.769 3.011 1.00 15.00 C ATOM 227 C LYS A 444 8.065 -4.422 3.094 1.00 15.00 C ATOM 228 O LYS A 444 7.215 -5.221 2.713 1.00 15.00 O ATOM 229 CB LYS A 444 9.858 -5.205 1.588 1.00 15.00 C ATOM 230 CG LYS A 444 11.330 -5.165 1.299 1.00 15.00 C ATOM 231 CD LYS A 444 11.628 -5.389 -0.172 1.00 15.00 C ATOM 232 CE LYS A 444 13.122 -5.419 -0.437 1.00 15.00 C ATOM 233 NZ LYS A 444 13.786 -6.575 0.213 1.00 15.00 N ATOM 0 H LYS A 444 9.981 -6.734 3.565 1.00 15.00 H new ATOM 0 HA LYS A 444 10.133 -3.895 3.257 1.00 15.00 H new ATOM 0 HB2 LYS A 444 9.487 -6.217 1.427 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.335 -4.558 0.884 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.734 -4.201 1.608 1.00 15.00 H new ATOM 0 HG3 LYS A 444 11.836 -5.927 1.891 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.181 -6.329 -0.496 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.168 -4.597 -0.763 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.297 -5.460 -1.512 1.00 15.00 H new ATOM 0 HE3 LYS A 444 13.572 -4.494 -0.075 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 14.759 -6.661 -0.143 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 13.805 -6.430 1.243 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 13.259 -7.445 -0.004 1.00 15.00 H new ATOM 247 N THR A 445 7.759 -3.253 3.611 1.00 15.00 N ATOM 248 CA THR A 445 6.391 -2.809 3.600 1.00 15.00 C ATOM 249 C THR A 445 6.141 -1.996 2.336 1.00 15.00 C ATOM 250 O THR A 445 6.347 -0.780 2.307 1.00 15.00 O ATOM 251 CB THR A 445 6.062 -1.959 4.841 1.00 15.00 C ATOM 252 OG1 THR A 445 6.424 -2.676 6.028 1.00 15.00 O ATOM 253 CG2 THR A 445 4.581 -1.609 4.889 1.00 15.00 C ATOM 0 H THR A 445 8.425 -2.608 4.035 1.00 15.00 H new ATOM 0 HA THR A 445 5.744 -3.686 3.618 1.00 15.00 H new ATOM 0 HB THR A 445 6.633 -1.032 4.780 1.00 15.00 H new ATOM 0 HG1 THR A 445 6.215 -2.132 6.816 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.378 -1.009 5.776 1.00 15.00 H new ATOM 0 HG22 THR A 445 4.312 -1.042 3.998 1.00 15.00 H new ATOM 0 HG23 THR A 445 3.992 -2.525 4.928 1.00 15.00 H new ATOM 261 N TYR A 446 5.739 -2.686 1.284 1.00 15.00 N ATOM 262 CA TYR A 446 5.324 -2.027 0.056 1.00 15.00 C ATOM 263 C TYR A 446 3.813 -2.094 -0.087 1.00 15.00 C ATOM 264 O TYR A 446 3.184 -3.080 0.303 1.00 15.00 O ATOM 265 CB TYR A 446 6.003 -2.649 -1.168 1.00 15.00 C ATOM 266 CG TYR A 446 5.702 -4.116 -1.393 1.00 15.00 C ATOM 267 CD1 TYR A 446 6.280 -5.096 -0.598 1.00 15.00 C ATOM 268 CD2 TYR A 446 4.850 -4.519 -2.416 1.00 15.00 C ATOM 269 CE1 TYR A 446 6.016 -6.432 -0.808 1.00 15.00 C ATOM 270 CE2 TYR A 446 4.584 -5.857 -2.635 1.00 15.00 C ATOM 271 CZ TYR A 446 5.169 -6.810 -1.827 1.00 15.00 C ATOM 272 OH TYR A 446 4.913 -8.145 -2.046 1.00 15.00 O ATOM 0 H TYR A 446 5.691 -3.704 1.254 1.00 15.00 H new ATOM 0 HA TYR A 446 5.631 -0.983 0.112 1.00 15.00 H new ATOM 0 HB2 TYR A 446 5.700 -2.092 -2.055 1.00 15.00 H new ATOM 0 HB3 TYR A 446 7.081 -2.527 -1.067 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.948 -4.806 0.199 1.00 15.00 H new ATOM 0 HD2 TYR A 446 4.389 -3.775 -3.049 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.471 -7.180 -0.176 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.922 -6.155 -3.434 1.00 15.00 H new ATOM 0 HH TYR A 446 4.295 -8.240 -2.801 1.00 15.00 H new ATOM 282 N TYR A 447 3.237 -1.057 -0.665 1.00 15.00 N ATOM 283 CA TYR A 447 1.797 -0.962 -0.761 1.00 15.00 C ATOM 284 C TYR A 447 1.309 -1.382 -2.135 1.00 15.00 C ATOM 285 O TYR A 447 1.557 -0.719 -3.144 1.00 15.00 O ATOM 286 CB TYR A 447 1.328 0.448 -0.406 1.00 15.00 C ATOM 287 CG TYR A 447 1.757 0.845 0.986 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.208 0.220 2.098 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.722 1.821 1.191 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.605 0.553 3.376 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.125 2.164 2.467 1.00 15.00 C ATOM 292 CZ TYR A 447 2.565 1.528 3.555 1.00 15.00 C ATOM 293 OH TYR A 447 2.968 1.867 4.826 1.00 15.00 O ATOM 0 H TYR A 447 3.744 -0.272 -1.073 1.00 15.00 H new ATOM 0 HA TYR A 447 1.360 -1.652 -0.039 1.00 15.00 H new ATOM 0 HB2 TYR A 447 1.732 1.158 -1.128 1.00 15.00 H new ATOM 0 HB3 TYR A 447 0.242 0.500 -0.481 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.455 -0.542 1.959 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.164 2.319 0.341 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.168 0.055 4.229 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.875 2.927 2.612 1.00 15.00 H new ATOM 0 HH TYR A 447 2.886 1.087 5.414 1.00 15.00 H new ATOM 303 N TYR A 448 0.643 -2.516 -2.145 1.00 15.00 N ATOM 304 CA TYR A 448 0.041 -3.066 -3.334 1.00 15.00 C ATOM 305 C TYR A 448 -1.473 -2.928 -3.228 1.00 15.00 C ATOM 306 O TYR A 448 -2.094 -3.571 -2.409 1.00 15.00 O ATOM 307 CB TYR A 448 0.451 -4.536 -3.475 1.00 15.00 C ATOM 308 CG TYR A 448 0.059 -5.180 -4.785 1.00 15.00 C ATOM 309 CD1 TYR A 448 0.873 -5.066 -5.905 1.00 15.00 C ATOM 310 CD2 TYR A 448 -1.113 -5.916 -4.897 1.00 15.00 C ATOM 311 CE1 TYR A 448 0.526 -5.662 -7.101 1.00 15.00 C ATOM 312 CE2 TYR A 448 -1.464 -6.519 -6.088 1.00 15.00 C ATOM 313 CZ TYR A 448 -0.640 -6.389 -7.186 1.00 15.00 C ATOM 314 OH TYR A 448 -0.988 -6.988 -8.375 1.00 15.00 O ATOM 0 H TYR A 448 0.504 -3.089 -1.313 1.00 15.00 H new ATOM 0 HA TYR A 448 0.381 -2.529 -4.219 1.00 15.00 H new ATOM 0 HB2 TYR A 448 1.532 -4.610 -3.359 1.00 15.00 H new ATOM 0 HB3 TYR A 448 0.003 -5.103 -2.659 1.00 15.00 H new ATOM 0 HD1 TYR A 448 1.792 -4.502 -5.839 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -1.760 -6.018 -4.039 1.00 15.00 H new ATOM 0 HE1 TYR A 448 1.166 -5.559 -7.965 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -2.378 -7.089 -6.159 1.00 15.00 H new ATOM 0 HH TYR A 448 -1.838 -7.463 -8.265 1.00 15.00 H new ATOM 324 N ASN A 449 -2.060 -2.066 -4.030 1.00 15.00 N ATOM 325 CA ASN A 449 -3.507 -1.822 -3.952 1.00 15.00 C ATOM 326 C ASN A 449 -4.247 -2.758 -4.851 1.00 15.00 C ATOM 327 O ASN A 449 -3.744 -3.145 -5.877 1.00 15.00 O ATOM 328 CB ASN A 449 -3.781 -0.351 -4.151 1.00 15.00 C ATOM 329 CG ASN A 449 -5.218 0.042 -4.547 1.00 15.00 C ATOM 330 OD1 ASN A 449 -5.936 -0.696 -5.215 1.00 15.00 O ATOM 331 ND2 ASN A 449 -5.618 1.254 -4.202 1.00 15.00 N ATOM 0 H ASN A 449 -1.574 -1.521 -4.742 1.00 15.00 H new ATOM 0 HA ASN A 449 -3.895 -2.051 -2.960 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -3.529 0.169 -3.227 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -3.103 0.020 -4.920 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -6.537 1.589 -4.491 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -5.008 1.854 -3.646 1.00 15.00 H new ATOM 338 N ASN A 450 -5.446 -3.127 -4.432 1.00 15.00 N ATOM 339 CA ASN A 450 -6.090 -4.319 -4.939 1.00 15.00 C ATOM 340 C ASN A 450 -7.326 -4.012 -5.785 1.00 15.00 C ATOM 341 O ASN A 450 -8.042 -4.923 -6.196 1.00 15.00 O ATOM 342 CB ASN A 450 -6.436 -5.226 -3.758 1.00 15.00 C ATOM 343 CG ASN A 450 -7.342 -4.551 -2.721 1.00 15.00 C ATOM 344 OD1 ASN A 450 -8.562 -4.536 -2.891 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.786 -4.017 -1.615 1.00 15.00 N ATOM 0 H ASN A 450 -5.992 -2.614 -3.740 1.00 15.00 H new ATOM 0 HA ASN A 450 -5.396 -4.827 -5.609 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -6.928 -6.124 -4.131 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -5.514 -5.546 -3.272 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -7.378 -3.591 -0.902 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -5.774 -4.039 -1.492 1.00 15.00 H new ATOM 352 N ARG A 451 -7.578 -2.738 -6.059 1.00 15.00 N ATOM 353 CA ARG A 451 -8.630 -2.376 -7.006 1.00 15.00 C ATOM 354 C ARG A 451 -8.016 -2.037 -8.353 1.00 15.00 C ATOM 355 O ARG A 451 -8.650 -2.162 -9.399 1.00 15.00 O ATOM 356 CB ARG A 451 -9.460 -1.180 -6.519 1.00 15.00 C ATOM 357 CG ARG A 451 -8.655 0.100 -6.353 1.00 15.00 C ATOM 358 CD ARG A 451 -9.537 1.291 -6.022 1.00 15.00 C ATOM 359 NE ARG A 451 -10.397 1.682 -7.134 1.00 15.00 N ATOM 360 CZ ARG A 451 -10.948 2.891 -7.253 1.00 15.00 C ATOM 361 NH1 ARG A 451 -10.752 3.817 -6.317 1.00 15.00 N ATOM 362 NH2 ARG A 451 -11.708 3.173 -8.305 1.00 15.00 N ATOM 0 H ARG A 451 -7.079 -1.949 -5.648 1.00 15.00 H new ATOM 0 HA ARG A 451 -9.295 -3.235 -7.095 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -10.270 -1.000 -7.226 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -9.921 -1.434 -5.565 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -7.918 -0.036 -5.561 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -8.103 0.302 -7.271 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -10.155 1.051 -5.157 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -8.909 2.136 -5.740 1.00 15.00 H new ATOM 0 HE ARG A 451 -10.588 0.992 -7.861 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -10.177 3.604 -5.502 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -11.177 4.739 -6.415 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -11.870 2.465 -9.021 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -12.130 4.097 -8.397 1.00 15.00 H new ATOM 376 N THR A 452 -6.775 -1.592 -8.306 1.00 15.00 N ATOM 377 CA THR A 452 -6.094 -1.091 -9.484 1.00 15.00 C ATOM 378 C THR A 452 -4.663 -1.637 -9.545 1.00 15.00 C ATOM 379 O THR A 452 -3.950 -1.450 -10.530 1.00 15.00 O ATOM 380 CB THR A 452 -6.101 0.449 -9.443 1.00 15.00 C ATOM 381 OG1 THR A 452 -7.447 0.919 -9.289 1.00 15.00 O ATOM 382 CG2 THR A 452 -5.506 1.060 -10.693 1.00 15.00 C ATOM 0 H THR A 452 -6.213 -1.568 -7.455 1.00 15.00 H new ATOM 0 HA THR A 452 -6.611 -1.426 -10.383 1.00 15.00 H new ATOM 0 HB THR A 452 -5.486 0.754 -8.596 1.00 15.00 H new ATOM 0 HG1 THR A 452 -7.460 1.678 -8.669 1.00 15.00 H new ATOM 0 HG21 THR A 452 -5.534 2.147 -10.615 1.00 15.00 H new ATOM 0 HG22 THR A 452 -4.473 0.730 -10.803 1.00 15.00 H new ATOM 0 HG23 THR A 452 -6.082 0.743 -11.562 1.00 15.00 H new ATOM 390 N LEU A 453 -4.277 -2.323 -8.465 1.00 15.00 N ATOM 391 CA LEU A 453 -2.997 -3.032 -8.349 1.00 15.00 C ATOM 392 C LEU A 453 -1.796 -2.146 -8.620 1.00 15.00 C ATOM 393 O LEU A 453 -1.343 -1.959 -9.749 1.00 15.00 O ATOM 394 CB LEU A 453 -2.953 -4.377 -9.098 1.00 15.00 C ATOM 395 CG LEU A 453 -3.446 -4.402 -10.552 1.00 15.00 C ATOM 396 CD1 LEU A 453 -2.662 -5.430 -11.356 1.00 15.00 C ATOM 397 CD2 LEU A 453 -4.932 -4.731 -10.612 1.00 15.00 C ATOM 0 H LEU A 453 -4.857 -2.403 -7.630 1.00 15.00 H new ATOM 0 HA LEU A 453 -2.924 -3.306 -7.297 1.00 15.00 H new ATOM 0 HB2 LEU A 453 -1.923 -4.733 -9.087 1.00 15.00 H new ATOM 0 HB3 LEU A 453 -3.545 -5.096 -8.531 1.00 15.00 H new ATOM 0 HG LEU A 453 -3.288 -3.413 -10.981 1.00 15.00 H new ATOM 0 HD11 LEU A 453 -3.021 -5.438 -12.385 1.00 15.00 H new ATOM 0 HD12 LEU A 453 -1.603 -5.171 -11.343 1.00 15.00 H new ATOM 0 HD13 LEU A 453 -2.800 -6.418 -10.916 1.00 15.00 H new ATOM 0 HD21 LEU A 453 -5.260 -4.743 -11.651 1.00 15.00 H new ATOM 0 HD22 LEU A 453 -5.106 -5.710 -10.165 1.00 15.00 H new ATOM 0 HD23 LEU A 453 -5.494 -3.976 -10.063 1.00 15.00 H new ATOM 409 N TYR A 454 -1.314 -1.595 -7.519 1.00 15.00 N ATOM 410 CA TYR A 454 -0.174 -0.681 -7.495 1.00 15.00 C ATOM 411 C TYR A 454 0.967 -1.346 -6.766 1.00 15.00 C ATOM 412 O TYR A 454 0.726 -2.006 -5.767 1.00 15.00 O ATOM 413 CB TYR A 454 -0.522 0.573 -6.690 1.00 15.00 C ATOM 414 CG TYR A 454 -1.776 1.267 -7.103 1.00 15.00 C ATOM 415 CD1 TYR A 454 -2.951 0.753 -6.678 1.00 15.00 C ATOM 416 CD2 TYR A 454 -1.792 2.441 -7.841 1.00 15.00 C ATOM 417 CE1 TYR A 454 -4.139 1.336 -6.944 1.00 15.00 C ATOM 418 CE2 TYR A 454 -2.994 3.058 -8.143 1.00 15.00 C ATOM 419 CZ TYR A 454 -4.175 2.501 -7.685 1.00 15.00 C ATOM 420 OH TYR A 454 -5.376 3.109 -7.958 1.00 15.00 O ATOM 0 H TYR A 454 -1.709 -1.771 -6.595 1.00 15.00 H new ATOM 0 HA TYR A 454 0.086 -0.426 -8.522 1.00 15.00 H new ATOM 0 HB2 TYR A 454 -0.608 0.298 -5.639 1.00 15.00 H new ATOM 0 HB3 TYR A 454 0.306 1.277 -6.769 1.00 15.00 H new ATOM 0 HD1 TYR A 454 -2.939 -0.161 -6.102 1.00 15.00 H new ATOM 0 HD2 TYR A 454 -0.864 2.875 -8.181 1.00 15.00 H new ATOM 0 HE1 TYR A 454 -5.055 0.895 -6.580 1.00 15.00 H new ATOM 0 HE2 TYR A 454 -3.010 3.964 -8.730 1.00 15.00 H new ATOM 0 HH TYR A 454 -5.220 3.918 -8.489 1.00 15.00 H new ATOM 430 N SER A 455 2.188 -1.146 -7.221 1.00 15.00 N ATOM 431 CA SER A 455 3.339 -1.537 -6.431 1.00 15.00 C ATOM 432 C SER A 455 4.178 -0.324 -6.093 1.00 15.00 C ATOM 433 O SER A 455 5.050 0.087 -6.859 1.00 15.00 O ATOM 434 CB SER A 455 4.180 -2.599 -7.130 1.00 15.00 C ATOM 435 OG SER A 455 4.327 -2.323 -8.514 1.00 15.00 O ATOM 0 H SER A 455 2.408 -0.721 -8.122 1.00 15.00 H new ATOM 0 HA SER A 455 2.969 -1.981 -5.507 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.163 -2.651 -6.663 1.00 15.00 H new ATOM 0 HB3 SER A 455 3.714 -3.576 -7.001 1.00 15.00 H new ATOM 0 HG SER A 455 4.633 -1.400 -8.633 1.00 15.00 H new ATOM 441 N THR A 456 3.869 0.278 -4.964 1.00 15.00 N ATOM 442 CA THR A 456 4.570 1.464 -4.532 1.00 15.00 C ATOM 443 C THR A 456 5.288 1.214 -3.215 1.00 15.00 C ATOM 444 O THR A 456 4.691 0.793 -2.222 1.00 15.00 O ATOM 445 CB THR A 456 3.629 2.685 -4.414 1.00 15.00 C ATOM 446 OG1 THR A 456 4.330 3.792 -3.839 1.00 15.00 O ATOM 447 CG2 THR A 456 2.399 2.372 -3.582 1.00 15.00 C ATOM 0 H THR A 456 3.135 -0.037 -4.329 1.00 15.00 H new ATOM 0 HA THR A 456 5.310 1.697 -5.297 1.00 15.00 H new ATOM 0 HB THR A 456 3.297 2.941 -5.420 1.00 15.00 H new ATOM 0 HG1 THR A 456 4.073 3.889 -2.898 1.00 15.00 H new ATOM 0 HG21 THR A 456 1.764 3.256 -3.524 1.00 15.00 H new ATOM 0 HG22 THR A 456 1.844 1.557 -4.046 1.00 15.00 H new ATOM 0 HG23 THR A 456 2.704 2.078 -2.578 1.00 15.00 H new ATOM 455 N TRP A 457 6.588 1.439 -3.239 1.00 15.00 N ATOM 456 CA TRP A 457 7.433 1.265 -2.065 1.00 15.00 C ATOM 457 C TRP A 457 7.365 2.482 -1.153 1.00 15.00 C ATOM 458 O TRP A 457 8.017 2.529 -0.108 1.00 15.00 O ATOM 459 CB TRP A 457 8.875 0.992 -2.500 1.00 15.00 C ATOM 460 CG TRP A 457 8.986 -0.127 -3.495 1.00 15.00 C ATOM 461 CD1 TRP A 457 8.978 -0.018 -4.856 1.00 15.00 C ATOM 462 CD2 TRP A 457 9.109 -1.522 -3.204 1.00 15.00 C ATOM 463 NE1 TRP A 457 9.093 -1.262 -5.429 1.00 15.00 N ATOM 464 CE2 TRP A 457 9.174 -2.202 -4.436 1.00 15.00 C ATOM 465 CE3 TRP A 457 9.173 -2.263 -2.024 1.00 15.00 C ATOM 466 CZ2 TRP A 457 9.296 -3.588 -4.516 1.00 15.00 C ATOM 467 CZ3 TRP A 457 9.291 -3.633 -2.104 1.00 15.00 C ATOM 468 CH2 TRP A 457 9.352 -4.286 -3.340 1.00 15.00 C ATOM 0 H TRP A 457 7.091 1.748 -4.071 1.00 15.00 H new ATOM 0 HA TRP A 457 7.066 0.409 -1.498 1.00 15.00 H new ATOM 0 HB2 TRP A 457 9.296 1.899 -2.933 1.00 15.00 H new ATOM 0 HB3 TRP A 457 9.474 0.751 -1.622 1.00 15.00 H new ATOM 0 HD1 TRP A 457 8.894 0.910 -5.402 1.00 15.00 H new ATOM 0 HE1 TRP A 457 9.115 -1.454 -6.431 1.00 15.00 H new ATOM 0 HE3 TRP A 457 9.131 -1.771 -1.064 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 9.345 -4.092 -5.470 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.337 -4.214 -1.195 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.445 -5.362 -3.367 1.00 15.00 H new ATOM 479 N GLU A 458 6.579 3.459 -1.554 1.00 15.00 N ATOM 480 CA GLU A 458 6.411 4.667 -0.775 1.00 15.00 C ATOM 481 C GLU A 458 4.940 4.861 -0.396 1.00 15.00 C ATOM 482 O GLU A 458 4.040 4.589 -1.194 1.00 15.00 O ATOM 483 CB GLU A 458 6.946 5.855 -1.565 1.00 15.00 C ATOM 484 CG GLU A 458 6.380 5.974 -2.970 1.00 15.00 C ATOM 485 CD GLU A 458 7.121 6.989 -3.814 1.00 15.00 C ATOM 486 OE1 GLU A 458 8.231 6.672 -4.291 1.00 15.00 O ATOM 487 OE2 GLU A 458 6.596 8.102 -4.020 1.00 15.00 O ATOM 0 H GLU A 458 6.043 3.439 -2.422 1.00 15.00 H new ATOM 0 HA GLU A 458 6.977 4.585 0.153 1.00 15.00 H new ATOM 0 HB2 GLU A 458 6.724 6.771 -1.017 1.00 15.00 H new ATOM 0 HB3 GLU A 458 8.031 5.776 -1.628 1.00 15.00 H new ATOM 0 HG2 GLU A 458 6.423 5.000 -3.458 1.00 15.00 H new ATOM 0 HG3 GLU A 458 5.328 6.255 -2.911 1.00 15.00 H new ATOM 494 N LYS A 459 4.707 5.327 0.828 1.00 15.00 N ATOM 495 CA LYS A 459 3.356 5.482 1.359 1.00 15.00 C ATOM 496 C LYS A 459 2.652 6.702 0.771 1.00 15.00 C ATOM 497 O LYS A 459 3.132 7.828 0.901 1.00 15.00 O ATOM 498 CB LYS A 459 3.397 5.613 2.885 1.00 15.00 C ATOM 499 CG LYS A 459 2.022 5.788 3.520 1.00 15.00 C ATOM 500 CD LYS A 459 2.107 6.267 4.966 1.00 15.00 C ATOM 501 CE LYS A 459 2.314 5.127 5.957 1.00 15.00 C ATOM 502 NZ LYS A 459 3.610 4.423 5.770 1.00 15.00 N ATOM 0 H LYS A 459 5.444 5.606 1.476 1.00 15.00 H new ATOM 0 HA LYS A 459 2.794 4.591 1.076 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.872 4.726 3.305 1.00 15.00 H new ATOM 0 HB3 LYS A 459 4.022 6.465 3.151 1.00 15.00 H new ATOM 0 HG2 LYS A 459 1.443 6.504 2.936 1.00 15.00 H new ATOM 0 HG3 LYS A 459 1.485 4.840 3.485 1.00 15.00 H new ATOM 0 HD2 LYS A 459 2.928 6.978 5.060 1.00 15.00 H new ATOM 0 HD3 LYS A 459 1.192 6.802 5.221 1.00 15.00 H new ATOM 0 HE2 LYS A 459 2.264 5.522 6.972 1.00 15.00 H new ATOM 0 HE3 LYS A 459 1.499 4.410 5.853 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 4.012 4.184 6.699 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 3.456 3.551 5.225 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 4.270 5.041 5.255 1.00 15.00 H new ATOM 516 N PRO A 460 1.497 6.486 0.126 1.00 15.00 N ATOM 517 CA PRO A 460 0.635 7.575 -0.342 1.00 15.00 C ATOM 518 C PRO A 460 -0.012 8.315 0.831 1.00 15.00 C ATOM 519 O PRO A 460 -0.220 7.740 1.903 1.00 15.00 O ATOM 520 CB PRO A 460 -0.420 6.854 -1.184 1.00 15.00 C ATOM 521 CG PRO A 460 -0.453 5.468 -0.650 1.00 15.00 C ATOM 522 CD PRO A 460 0.948 5.162 -0.209 1.00 15.00 C ATOM 0 HA PRO A 460 1.181 8.336 -0.900 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -1.394 7.335 -1.094 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -0.156 6.864 -2.241 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.151 5.387 0.183 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -0.785 4.764 -1.413 1.00 15.00 H new ATOM 0 HD2 PRO A 460 0.961 4.492 0.651 1.00 15.00 H new ATOM 0 HD3 PRO A 460 1.521 4.678 -0.999 1.00 15.00 H new ATOM 530 N GLN A 461 -0.375 9.573 0.613 1.00 15.00 N ATOM 531 CA GLN A 461 -0.877 10.419 1.692 1.00 15.00 C ATOM 532 C GLN A 461 -2.305 10.033 2.068 1.00 15.00 C ATOM 533 O GLN A 461 -2.773 10.332 3.166 1.00 15.00 O ATOM 534 CB GLN A 461 -0.826 11.896 1.290 1.00 15.00 C ATOM 535 CG GLN A 461 0.451 12.315 0.564 1.00 15.00 C ATOM 536 CD GLN A 461 1.714 12.268 1.417 1.00 15.00 C ATOM 537 OE1 GLN A 461 2.627 13.064 1.214 1.00 15.00 O ATOM 538 NE2 GLN A 461 1.798 11.330 2.350 1.00 15.00 N ATOM 0 H GLN A 461 -0.332 10.030 -0.298 1.00 15.00 H new ATOM 0 HA GLN A 461 -0.235 10.267 2.560 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -1.680 12.114 0.649 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -0.936 12.507 2.186 1.00 15.00 H new ATOM 0 HG2 GLN A 461 0.589 11.668 -0.302 1.00 15.00 H new ATOM 0 HG3 GLN A 461 0.322 13.329 0.186 1.00 15.00 H new ATOM 0 HE21 GLN A 461 1.022 10.684 2.495 1.00 15.00 H new ATOM 0 HE22 GLN A 461 2.638 11.255 2.923 1.00 15.00 H new ATOM 547 N GLU A 462 -2.992 9.376 1.145 1.00 15.00 N ATOM 548 CA GLU A 462 -4.361 8.927 1.368 1.00 15.00 C ATOM 549 C GLU A 462 -4.396 7.602 2.125 1.00 15.00 C ATOM 550 O GLU A 462 -5.467 7.095 2.454 1.00 15.00 O ATOM 551 CB GLU A 462 -5.133 8.795 0.043 1.00 15.00 C ATOM 552 CG GLU A 462 -4.331 8.218 -1.120 1.00 15.00 C ATOM 553 CD GLU A 462 -3.433 9.250 -1.786 1.00 15.00 C ATOM 554 OE1 GLU A 462 -3.928 10.004 -2.648 1.00 15.00 O ATOM 555 OE2 GLU A 462 -2.236 9.315 -1.437 1.00 15.00 O ATOM 0 H GLU A 462 -2.620 9.140 0.225 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.849 9.687 1.978 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -6.006 8.164 0.211 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -5.502 9.780 -0.244 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -3.720 7.390 -0.759 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.017 7.808 -1.861 1.00 15.00 H new ATOM 562 N LEU A 463 -3.225 7.050 2.411 1.00 15.00 N ATOM 563 CA LEU A 463 -3.142 5.791 3.136 1.00 15.00 C ATOM 564 C LEU A 463 -2.964 6.066 4.628 1.00 15.00 C ATOM 565 O LEU A 463 -2.996 5.157 5.457 1.00 15.00 O ATOM 566 CB LEU A 463 -1.984 4.948 2.580 1.00 15.00 C ATOM 567 CG LEU A 463 -2.167 3.424 2.647 1.00 15.00 C ATOM 568 CD1 LEU A 463 -1.343 2.744 1.567 1.00 15.00 C ATOM 569 CD2 LEU A 463 -1.771 2.881 4.010 1.00 15.00 C ATOM 0 H LEU A 463 -2.324 7.452 2.153 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.065 5.227 3.004 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -1.823 5.229 1.539 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.077 5.209 3.125 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.223 3.210 2.484 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.483 1.665 1.628 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -1.665 3.097 0.587 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -0.289 2.981 1.710 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.912 1.800 4.026 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -0.724 3.114 4.204 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.393 3.339 4.779 1.00 15.00 H new ATOM 581 N LYS A 464 -2.784 7.335 4.966 1.00 15.00 N ATOM 582 CA LYS A 464 -2.619 7.733 6.355 1.00 15.00 C ATOM 583 C LYS A 464 -3.673 8.772 6.744 1.00 15.00 C ATOM 584 O LYS A 464 -3.347 9.978 6.803 1.00 15.00 O ATOM 585 CB LYS A 464 -1.205 8.279 6.594 1.00 15.00 C ATOM 586 CG LYS A 464 -0.781 9.349 5.596 1.00 15.00 C ATOM 587 CD LYS A 464 0.403 10.157 6.103 1.00 15.00 C ATOM 588 CE LYS A 464 0.103 10.794 7.453 1.00 15.00 C ATOM 589 NZ LYS A 464 -1.176 11.557 7.444 1.00 15.00 N ATOM 590 OXT LYS A 464 -4.838 8.382 6.966 1.00 15.00 O ATOM 0 H LYS A 464 -2.749 8.105 4.298 1.00 15.00 H new ATOM 0 HA LYS A 464 -2.757 6.854 6.985 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -1.151 8.693 7.601 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -0.495 7.453 6.550 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -0.521 8.879 4.648 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -1.620 10.017 5.401 1.00 15.00 H new ATOM 0 HD2 LYS A 464 1.276 9.510 6.190 1.00 15.00 H new ATOM 0 HD3 LYS A 464 0.652 10.934 5.380 1.00 15.00 H new ATOM 0 HE2 LYS A 464 0.055 10.018 8.216 1.00 15.00 H new ATOM 0 HE3 LYS A 464 0.920 11.461 7.727 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -1.211 12.186 8.271 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -1.235 12.125 6.575 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -1.976 10.894 7.480 1.00 15.00 H new TER 604 LYS A 464