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 461 GLN : amide:sc= 0.14 K(o=0.65,f=-1) USER MOD Set 1.2: A 464 LYS NZ :NH3+ 173:sc= 0.508 (180deg=0) USER MOD Single : A 430 THR OG1 : rot 8:sc= 1.02 USER MOD Single : A 433 SER OG : rot 180:sc= -0.148 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0394) USER MOD Single : A 440 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 444 LYS NZ :NH3+ 151:sc= 0.983 (180deg=0.316) USER MOD Single : A 445 THR OG1 : rot 159:sc= 1.2 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 8:sc= 0.947 USER MOD Single : A 449 ASN : amide:sc= -2.76! C(o=-2.8!,f=-8.7!) USER MOD Single : A 450 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 452 THR OG1 : rot 172:sc= -3.76! USER MOD Single : A 455 SER OG : rot 22:sc= -0.534 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 459 LYS NZ :NH3+ 158:sc= 0.579 (180deg=0.315) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 428 -10.574 4.503 -6.066 1.00 15.00 N ATOM 2 CA GLY A 428 -11.688 3.941 -6.866 1.00 15.00 C ATOM 3 C GLY A 428 -13.024 4.212 -6.219 1.00 15.00 C ATOM 4 O GLY A 428 -13.099 4.926 -5.217 1.00 15.00 O ATOM 0 HA2 GLY A 428 -11.673 4.373 -7.867 1.00 15.00 H new ATOM 0 HA3 GLY A 428 -11.549 2.866 -6.980 1.00 15.00 H new ATOM 10 N ALA A 429 -14.080 3.657 -6.787 1.00 15.00 N ATOM 11 CA ALA A 429 -15.399 3.758 -6.193 1.00 15.00 C ATOM 12 C ALA A 429 -15.586 2.616 -5.210 1.00 15.00 C ATOM 13 O ALA A 429 -14.974 1.562 -5.377 1.00 15.00 O ATOM 14 CB ALA A 429 -16.475 3.731 -7.267 1.00 15.00 C ATOM 0 H ALA A 429 -14.048 3.131 -7.660 1.00 15.00 H new ATOM 0 HA ALA A 429 -15.488 4.707 -5.664 1.00 15.00 H new ATOM 0 HB1 ALA A 429 -17.457 3.808 -6.800 1.00 15.00 H new ATOM 0 HB2 ALA A 429 -16.330 4.570 -7.948 1.00 15.00 H new ATOM 0 HB3 ALA A 429 -16.410 2.796 -7.824 1.00 15.00 H new ATOM 20 N THR A 430 -16.387 2.856 -4.170 1.00 15.00 N ATOM 21 CA THR A 430 -16.670 1.867 -3.119 1.00 15.00 C ATOM 22 C THR A 430 -15.387 1.325 -2.464 1.00 15.00 C ATOM 23 O THR A 430 -15.410 0.314 -1.757 1.00 15.00 O ATOM 24 CB THR A 430 -17.551 0.695 -3.638 1.00 15.00 C ATOM 25 OG1 THR A 430 -16.878 -0.063 -4.651 1.00 15.00 O ATOM 26 CG2 THR A 430 -18.864 1.218 -4.200 1.00 15.00 C ATOM 0 H THR A 430 -16.863 3.747 -4.029 1.00 15.00 H new ATOM 0 HA THR A 430 -17.235 2.399 -2.354 1.00 15.00 H new ATOM 0 HB THR A 430 -17.749 0.044 -2.787 1.00 15.00 H new ATOM 0 HG1 THR A 430 -15.949 0.240 -4.723 1.00 15.00 H new ATOM 0 HG21 THR A 430 -19.465 0.382 -4.558 1.00 15.00 H new ATOM 0 HG22 THR A 430 -19.408 1.749 -3.419 1.00 15.00 H new ATOM 0 HG23 THR A 430 -18.661 1.898 -5.027 1.00 15.00 H new ATOM 34 N ALA A 431 -14.279 2.029 -2.679 1.00 15.00 N ATOM 35 CA ALA A 431 -12.990 1.646 -2.126 1.00 15.00 C ATOM 36 C ALA A 431 -12.064 2.857 -2.072 1.00 15.00 C ATOM 37 O ALA A 431 -11.545 3.301 -3.099 1.00 15.00 O ATOM 38 CB ALA A 431 -12.363 0.532 -2.952 1.00 15.00 C ATOM 0 H ALA A 431 -14.253 2.880 -3.241 1.00 15.00 H new ATOM 0 HA ALA A 431 -13.141 1.275 -1.112 1.00 15.00 H new ATOM 0 HB1 ALA A 431 -11.399 0.259 -2.523 1.00 15.00 H new ATOM 0 HB2 ALA A 431 -13.021 -0.337 -2.949 1.00 15.00 H new ATOM 0 HB3 ALA A 431 -12.220 0.875 -3.977 1.00 15.00 H new ATOM 44 N VAL A 432 -11.892 3.396 -0.872 1.00 15.00 N ATOM 45 CA VAL A 432 -11.056 4.560 -0.638 1.00 15.00 C ATOM 46 C VAL A 432 -10.408 4.429 0.732 1.00 15.00 C ATOM 47 O VAL A 432 -11.076 4.062 1.703 1.00 15.00 O ATOM 48 CB VAL A 432 -11.860 5.888 -0.706 1.00 15.00 C ATOM 49 CG1 VAL A 432 -11.011 7.063 -0.238 1.00 15.00 C ATOM 50 CG2 VAL A 432 -12.368 6.147 -2.117 1.00 15.00 C ATOM 0 H VAL A 432 -12.334 3.032 -0.028 1.00 15.00 H new ATOM 0 HA VAL A 432 -10.302 4.597 -1.424 1.00 15.00 H new ATOM 0 HB VAL A 432 -12.717 5.787 -0.040 1.00 15.00 H new ATOM 0 HG11 VAL A 432 -11.597 7.981 -0.295 1.00 15.00 H new ATOM 0 HG12 VAL A 432 -10.696 6.897 0.792 1.00 15.00 H new ATOM 0 HG13 VAL A 432 -10.132 7.153 -0.876 1.00 15.00 H new ATOM 0 HG21 VAL A 432 -12.927 7.082 -2.136 1.00 15.00 H new ATOM 0 HG22 VAL A 432 -11.522 6.215 -2.801 1.00 15.00 H new ATOM 0 HG23 VAL A 432 -13.019 5.329 -2.425 1.00 15.00 H new ATOM 60 N SER A 433 -9.108 4.675 0.772 1.00 15.00 N ATOM 61 CA SER A 433 -8.310 4.617 2.000 1.00 15.00 C ATOM 62 C SER A 433 -8.005 3.167 2.344 1.00 15.00 C ATOM 63 O SER A 433 -7.638 2.836 3.473 1.00 15.00 O ATOM 64 CB SER A 433 -9.023 5.314 3.167 1.00 15.00 C ATOM 65 OG SER A 433 -9.376 6.647 2.834 1.00 15.00 O ATOM 0 H SER A 433 -8.565 4.924 -0.055 1.00 15.00 H new ATOM 0 HA SER A 433 -7.374 5.149 1.828 1.00 15.00 H new ATOM 0 HB2 SER A 433 -9.919 4.754 3.435 1.00 15.00 H new ATOM 0 HB3 SER A 433 -8.375 5.315 4.043 1.00 15.00 H new ATOM 0 HG SER A 433 -9.830 7.065 3.595 1.00 15.00 H new ATOM 71 N GLU A 434 -8.110 2.320 1.330 1.00 15.00 N ATOM 72 CA GLU A 434 -7.860 0.893 1.475 1.00 15.00 C ATOM 73 C GLU A 434 -6.390 0.629 1.752 1.00 15.00 C ATOM 74 O GLU A 434 -6.034 -0.372 2.374 1.00 15.00 O ATOM 75 CB GLU A 434 -8.270 0.160 0.198 1.00 15.00 C ATOM 76 CG GLU A 434 -9.744 0.280 -0.127 1.00 15.00 C ATOM 77 CD GLU A 434 -10.609 -0.370 0.925 1.00 15.00 C ATOM 78 OE1 GLU A 434 -10.807 -1.596 0.851 1.00 15.00 O ATOM 79 OE2 GLU A 434 -11.092 0.339 1.828 1.00 15.00 O ATOM 0 H GLU A 434 -8.370 2.602 0.385 1.00 15.00 H new ATOM 0 HA GLU A 434 -8.450 0.528 2.316 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -7.690 0.552 -0.637 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.014 -0.895 0.297 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -10.011 1.333 -0.216 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -9.941 -0.182 -1.094 1.00 15.00 H new ATOM 86 N TRP A 435 -5.547 1.533 1.279 1.00 15.00 N ATOM 87 CA TRP A 435 -4.109 1.346 1.340 1.00 15.00 C ATOM 88 C TRP A 435 -3.494 2.198 2.440 1.00 15.00 C ATOM 89 O TRP A 435 -3.640 3.420 2.454 1.00 15.00 O ATOM 90 CB TRP A 435 -3.481 1.701 -0.007 1.00 15.00 C ATOM 91 CG TRP A 435 -4.069 0.935 -1.152 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.154 1.288 -1.904 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.610 -0.316 -1.674 1.00 15.00 C ATOM 94 NE1 TRP A 435 -5.394 0.332 -2.861 1.00 15.00 N ATOM 95 CE2 TRP A 435 -4.460 -0.661 -2.741 1.00 15.00 C ATOM 96 CE3 TRP A 435 -2.561 -1.178 -1.345 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -4.294 -1.830 -3.477 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -2.398 -2.338 -2.076 1.00 15.00 C ATOM 99 CH2 TRP A 435 -3.258 -2.655 -3.132 1.00 15.00 C ATOM 0 H TRP A 435 -5.838 2.409 0.846 1.00 15.00 H new ATOM 0 HA TRP A 435 -3.910 0.299 1.568 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.607 2.768 -0.189 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.409 1.510 0.037 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -5.737 2.187 -1.766 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -6.146 0.358 -3.549 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.889 -0.941 -0.533 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -4.959 -2.077 -4.291 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -1.592 -3.013 -1.828 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -3.102 -3.569 -3.686 1.00 15.00 H new ATOM 110 N THR A 436 -2.813 1.542 3.363 1.00 15.00 N ATOM 111 CA THR A 436 -2.117 2.228 4.435 1.00 15.00 C ATOM 112 C THR A 436 -0.612 2.199 4.179 1.00 15.00 C ATOM 113 O THR A 436 -0.104 1.256 3.566 1.00 15.00 O ATOM 114 CB THR A 436 -2.429 1.565 5.785 1.00 15.00 C ATOM 115 OG1 THR A 436 -3.835 1.296 5.859 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.023 2.456 6.949 1.00 15.00 C ATOM 0 H THR A 436 -2.728 0.526 3.390 1.00 15.00 H new ATOM 0 HA THR A 436 -2.456 3.263 4.466 1.00 15.00 H new ATOM 0 HB THR A 436 -1.859 0.639 5.854 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.042 0.871 6.717 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.258 1.956 7.889 1.00 15.00 H new ATOM 0 HG22 THR A 436 -0.952 2.653 6.900 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.568 3.398 6.893 1.00 15.00 H new ATOM 124 N GLU A 437 0.093 3.228 4.629 1.00 15.00 N ATOM 125 CA GLU A 437 1.529 3.315 4.404 1.00 15.00 C ATOM 126 C GLU A 437 2.314 2.913 5.642 1.00 15.00 C ATOM 127 O GLU A 437 2.173 3.507 6.712 1.00 15.00 O ATOM 128 CB GLU A 437 1.943 4.722 3.977 1.00 15.00 C ATOM 129 CG GLU A 437 1.476 5.100 2.589 1.00 15.00 C ATOM 130 CD GLU A 437 2.148 6.361 2.084 1.00 15.00 C ATOM 131 OE1 GLU A 437 3.260 6.260 1.519 1.00 15.00 O ATOM 132 OE2 GLU A 437 1.577 7.458 2.259 1.00 15.00 O ATOM 0 H GLU A 437 -0.304 4.010 5.149 1.00 15.00 H new ATOM 0 HA GLU A 437 1.761 2.618 3.599 1.00 15.00 H new ATOM 0 HB2 GLU A 437 1.545 5.441 4.693 1.00 15.00 H new ATOM 0 HB3 GLU A 437 3.029 4.799 4.019 1.00 15.00 H new ATOM 0 HG2 GLU A 437 1.683 4.280 1.902 1.00 15.00 H new ATOM 0 HG3 GLU A 437 0.396 5.244 2.597 1.00 15.00 H new ATOM 139 N TYR A 438 3.147 1.903 5.477 1.00 15.00 N ATOM 140 CA TYR A 438 4.062 1.476 6.526 1.00 15.00 C ATOM 141 C TYR A 438 5.480 1.485 5.981 1.00 15.00 C ATOM 142 O TYR A 438 5.741 0.897 4.935 1.00 15.00 O ATOM 143 CB TYR A 438 3.730 0.067 7.018 1.00 15.00 C ATOM 144 CG TYR A 438 2.317 -0.116 7.524 1.00 15.00 C ATOM 145 CD1 TYR A 438 1.928 0.392 8.757 1.00 15.00 C ATOM 146 CD2 TYR A 438 1.382 -0.824 6.780 1.00 15.00 C ATOM 147 CE1 TYR A 438 0.644 0.200 9.232 1.00 15.00 C ATOM 148 CE2 TYR A 438 0.096 -1.016 7.246 1.00 15.00 C ATOM 149 CZ TYR A 438 -0.266 -0.504 8.473 1.00 15.00 C ATOM 150 OH TYR A 438 -1.544 -0.704 8.945 1.00 15.00 O ATOM 0 H TYR A 438 3.211 1.356 4.618 1.00 15.00 H new ATOM 0 HA TYR A 438 3.965 2.165 7.365 1.00 15.00 H new ATOM 0 HB2 TYR A 438 3.902 -0.636 6.203 1.00 15.00 H new ATOM 0 HB3 TYR A 438 4.423 -0.195 7.817 1.00 15.00 H new ATOM 0 HD1 TYR A 438 2.639 0.945 9.353 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.665 -1.231 5.821 1.00 15.00 H new ATOM 0 HE1 TYR A 438 0.355 0.600 10.193 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.621 -1.564 6.653 1.00 15.00 H new ATOM 0 HH TYR A 438 -2.059 -1.218 8.288 1.00 15.00 H new ATOM 160 N LYS A 439 6.394 2.142 6.680 1.00 15.00 N ATOM 161 CA LYS A 439 7.767 2.246 6.205 1.00 15.00 C ATOM 162 C LYS A 439 8.605 1.083 6.723 1.00 15.00 C ATOM 163 O LYS A 439 8.690 0.841 7.929 1.00 15.00 O ATOM 164 CB LYS A 439 8.398 3.577 6.632 1.00 15.00 C ATOM 165 CG LYS A 439 9.718 3.890 5.925 1.00 15.00 C ATOM 166 CD LYS A 439 9.513 4.583 4.574 1.00 15.00 C ATOM 167 CE LYS A 439 9.023 6.010 4.753 1.00 15.00 C ATOM 168 NZ LYS A 439 8.813 6.705 3.455 1.00 15.00 N ATOM 0 H LYS A 439 6.213 2.607 7.570 1.00 15.00 H new ATOM 0 HA LYS A 439 7.746 2.207 5.116 1.00 15.00 H new ATOM 0 HB2 LYS A 439 7.691 4.383 6.435 1.00 15.00 H new ATOM 0 HB3 LYS A 439 8.569 3.559 7.708 1.00 15.00 H new ATOM 0 HG2 LYS A 439 10.328 4.526 6.567 1.00 15.00 H new ATOM 0 HG3 LYS A 439 10.273 2.964 5.774 1.00 15.00 H new ATOM 0 HD2 LYS A 439 10.451 4.585 4.018 1.00 15.00 H new ATOM 0 HD3 LYS A 439 8.792 4.021 3.980 1.00 15.00 H new ATOM 0 HE2 LYS A 439 8.088 6.003 5.313 1.00 15.00 H new ATOM 0 HE3 LYS A 439 9.747 6.568 5.348 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 8.337 7.615 3.621 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 9.732 6.873 2.999 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 8.222 6.114 2.836 1.00 15.00 H new ATOM 182 N THR A 440 9.227 0.382 5.795 1.00 15.00 N ATOM 183 CA THR A 440 10.123 -0.714 6.102 1.00 15.00 C ATOM 184 C THR A 440 11.546 -0.194 6.266 1.00 15.00 C ATOM 185 O THR A 440 11.888 0.853 5.718 1.00 15.00 O ATOM 186 CB THR A 440 10.079 -1.799 5.010 1.00 15.00 C ATOM 187 OG1 THR A 440 9.828 -1.197 3.734 1.00 15.00 O ATOM 188 CG2 THR A 440 9.008 -2.835 5.311 1.00 15.00 C ATOM 0 H THR A 440 9.123 0.560 4.796 1.00 15.00 H new ATOM 0 HA THR A 440 9.793 -1.166 7.037 1.00 15.00 H new ATOM 0 HB THR A 440 11.046 -2.302 4.991 1.00 15.00 H new ATOM 0 HG1 THR A 440 10.679 -1.034 3.276 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.999 -3.589 4.524 1.00 15.00 H new ATOM 0 HG22 THR A 440 9.222 -3.312 6.268 1.00 15.00 H new ATOM 0 HG23 THR A 440 8.034 -2.348 5.358 1.00 15.00 H new ATOM 196 N ALA A 441 12.331 -0.881 7.094 1.00 15.00 N ATOM 197 CA ALA A 441 13.707 -0.482 7.431 1.00 15.00 C ATOM 198 C ALA A 441 14.574 -0.115 6.213 1.00 15.00 C ATOM 199 O ALA A 441 15.636 0.492 6.372 1.00 15.00 O ATOM 200 CB ALA A 441 14.382 -1.595 8.217 1.00 15.00 C ATOM 0 H ALA A 441 12.032 -1.739 7.557 1.00 15.00 H new ATOM 0 HA ALA A 441 13.621 0.426 8.028 1.00 15.00 H new ATOM 0 HB1 ALA A 441 15.401 -1.298 8.466 1.00 15.00 H new ATOM 0 HB2 ALA A 441 13.824 -1.782 9.135 1.00 15.00 H new ATOM 0 HB3 ALA A 441 14.405 -2.503 7.615 1.00 15.00 H new ATOM 206 N ASP A 442 14.141 -0.481 5.011 1.00 15.00 N ATOM 207 CA ASP A 442 14.877 -0.132 3.795 1.00 15.00 C ATOM 208 C ASP A 442 14.568 1.308 3.380 1.00 15.00 C ATOM 209 O ASP A 442 15.096 1.815 2.387 1.00 15.00 O ATOM 210 CB ASP A 442 14.540 -1.099 2.659 1.00 15.00 C ATOM 211 CG ASP A 442 13.160 -0.874 2.080 1.00 15.00 C ATOM 212 OD1 ASP A 442 12.199 -0.738 2.861 1.00 15.00 O ATOM 213 OD2 ASP A 442 13.039 -0.846 0.839 1.00 15.00 O ATOM 0 H ASP A 442 13.288 -1.017 4.850 1.00 15.00 H new ATOM 0 HA ASP A 442 15.943 -0.213 4.006 1.00 15.00 H new ATOM 0 HB2 ASP A 442 15.282 -0.993 1.867 1.00 15.00 H new ATOM 0 HB3 ASP A 442 14.611 -2.122 3.027 1.00 15.00 H new ATOM 218 N GLY A 443 13.686 1.943 4.139 1.00 15.00 N ATOM 219 CA GLY A 443 13.433 3.362 3.999 1.00 15.00 C ATOM 220 C GLY A 443 12.338 3.690 3.014 1.00 15.00 C ATOM 221 O GLY A 443 12.412 4.703 2.317 1.00 15.00 O ATOM 0 H GLY A 443 13.131 1.488 4.864 1.00 15.00 H new ATOM 0 HA2 GLY A 443 13.168 3.772 4.973 1.00 15.00 H new ATOM 0 HA3 GLY A 443 14.352 3.856 3.685 1.00 15.00 H new ATOM 225 N LYS A 444 11.313 2.845 2.944 1.00 15.00 N ATOM 226 CA LYS A 444 10.165 3.120 2.076 1.00 15.00 C ATOM 227 C LYS A 444 8.876 2.515 2.623 1.00 15.00 C ATOM 228 O LYS A 444 8.909 1.563 3.395 1.00 15.00 O ATOM 229 CB LYS A 444 10.344 2.520 0.730 1.00 15.00 C ATOM 230 CG LYS A 444 11.727 2.651 0.121 1.00 15.00 C ATOM 231 CD LYS A 444 11.866 1.801 -1.128 1.00 15.00 C ATOM 232 CE LYS A 444 13.319 1.682 -1.553 1.00 15.00 C ATOM 233 NZ LYS A 444 14.165 1.117 -0.468 1.00 15.00 N ATOM 0 H LYS A 444 11.250 1.973 3.470 1.00 15.00 H new ATOM 0 HA LYS A 444 10.100 4.207 2.027 1.00 15.00 H new ATOM 0 HB2 LYS A 444 10.094 1.461 0.790 1.00 15.00 H new ATOM 0 HB3 LYS A 444 9.625 2.979 0.051 1.00 15.00 H new ATOM 0 HG2 LYS A 444 11.920 3.695 -0.125 1.00 15.00 H new ATOM 0 HG3 LYS A 444 12.478 2.351 0.852 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.456 0.808 -0.943 1.00 15.00 H new ATOM 0 HD3 LYS A 444 11.283 2.241 -1.937 1.00 15.00 H new ATOM 0 HE2 LYS A 444 13.389 1.048 -2.437 1.00 15.00 H new ATOM 0 HE3 LYS A 444 13.697 2.665 -1.835 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 14.968 0.604 -0.885 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 14.521 1.888 0.132 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 13.598 0.463 0.109 1.00 15.00 H new ATOM 247 N THR A 445 7.744 3.064 2.200 1.00 15.00 N ATOM 248 CA THR A 445 6.453 2.550 2.621 1.00 15.00 C ATOM 249 C THR A 445 5.904 1.543 1.622 1.00 15.00 C ATOM 250 O THR A 445 5.974 1.741 0.406 1.00 15.00 O ATOM 251 CB THR A 445 5.411 3.672 2.819 1.00 15.00 C ATOM 252 OG1 THR A 445 5.342 4.508 1.656 1.00 15.00 O ATOM 253 CG2 THR A 445 5.743 4.523 4.033 1.00 15.00 C ATOM 0 H THR A 445 7.697 3.863 1.568 1.00 15.00 H new ATOM 0 HA THR A 445 6.625 2.060 3.579 1.00 15.00 H new ATOM 0 HB THR A 445 4.444 3.196 2.979 1.00 15.00 H new ATOM 0 HG1 THR A 445 4.486 4.985 1.647 1.00 15.00 H new ATOM 0 HG21 THR A 445 4.991 5.304 4.146 1.00 15.00 H new ATOM 0 HG22 THR A 445 5.752 3.897 4.925 1.00 15.00 H new ATOM 0 HG23 THR A 445 6.724 4.980 3.900 1.00 15.00 H new ATOM 261 N TYR A 446 5.374 0.456 2.151 1.00 15.00 N ATOM 262 CA TYR A 446 4.654 -0.503 1.344 1.00 15.00 C ATOM 263 C TYR A 446 3.166 -0.256 1.519 1.00 15.00 C ATOM 264 O TYR A 446 2.694 -0.020 2.634 1.00 15.00 O ATOM 265 CB TYR A 446 5.021 -1.949 1.715 1.00 15.00 C ATOM 266 CG TYR A 446 4.739 -2.342 3.153 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.697 -2.174 4.145 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.515 -2.889 3.513 1.00 15.00 C ATOM 269 CE1 TYR A 446 5.441 -2.543 5.452 1.00 15.00 C ATOM 270 CE2 TYR A 446 3.251 -3.256 4.816 1.00 15.00 C ATOM 271 CZ TYR A 446 4.217 -3.083 5.781 1.00 15.00 C ATOM 272 OH TYR A 446 3.953 -3.449 7.082 1.00 15.00 O ATOM 0 H TYR A 446 5.431 0.217 3.141 1.00 15.00 H new ATOM 0 HA TYR A 446 4.932 -0.372 0.298 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.475 -2.625 1.057 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.082 -2.099 1.516 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.657 -1.748 3.891 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.755 -3.030 2.759 1.00 15.00 H new ATOM 0 HE1 TYR A 446 6.197 -2.409 6.212 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.291 -3.677 5.078 1.00 15.00 H new ATOM 0 HH TYR A 446 3.044 -3.811 7.142 1.00 15.00 H new ATOM 282 N TYR A 447 2.433 -0.296 0.427 1.00 15.00 N ATOM 283 CA TYR A 447 1.016 0.007 0.464 1.00 15.00 C ATOM 284 C TYR A 447 0.219 -1.267 0.685 1.00 15.00 C ATOM 285 O TYR A 447 0.243 -2.173 -0.145 1.00 15.00 O ATOM 286 CB TYR A 447 0.595 0.701 -0.831 1.00 15.00 C ATOM 287 CG TYR A 447 1.479 1.878 -1.181 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.536 2.993 -0.356 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.267 1.866 -2.324 1.00 15.00 C ATOM 290 CE1 TYR A 447 2.351 4.066 -0.661 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.086 2.935 -2.636 1.00 15.00 C ATOM 292 CZ TYR A 447 3.125 4.032 -1.802 1.00 15.00 C ATOM 293 OH TYR A 447 3.937 5.101 -2.114 1.00 15.00 O ATOM 0 H TYR A 447 2.793 -0.535 -0.497 1.00 15.00 H new ATOM 0 HA TYR A 447 0.814 0.684 1.294 1.00 15.00 H new ATOM 0 HB2 TYR A 447 0.618 -0.020 -1.648 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.436 1.042 -0.736 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.933 3.022 0.539 1.00 15.00 H new ATOM 0 HD2 TYR A 447 2.240 1.008 -2.980 1.00 15.00 H new ATOM 0 HE1 TYR A 447 2.382 4.927 -0.009 1.00 15.00 H new ATOM 0 HE2 TYR A 447 3.693 2.911 -3.529 1.00 15.00 H new ATOM 0 HH TYR A 447 4.415 4.916 -2.949 1.00 15.00 H new ATOM 303 N TYR A 448 -0.452 -1.346 1.821 1.00 15.00 N ATOM 304 CA TYR A 448 -1.217 -2.531 2.182 1.00 15.00 C ATOM 305 C TYR A 448 -2.713 -2.253 2.131 1.00 15.00 C ATOM 306 O TYR A 448 -3.199 -1.314 2.764 1.00 15.00 O ATOM 307 CB TYR A 448 -0.814 -3.003 3.584 1.00 15.00 C ATOM 308 CG TYR A 448 -1.726 -4.066 4.160 1.00 15.00 C ATOM 309 CD1 TYR A 448 -1.749 -5.351 3.637 1.00 15.00 C ATOM 310 CD2 TYR A 448 -2.574 -3.772 5.221 1.00 15.00 C ATOM 311 CE1 TYR A 448 -2.590 -6.315 4.158 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.418 -4.730 5.745 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.422 -6.000 5.211 1.00 15.00 C ATOM 314 OH TYR A 448 -4.268 -6.952 5.728 1.00 15.00 O ATOM 0 H TYR A 448 -0.483 -0.599 2.515 1.00 15.00 H new ATOM 0 HA TYR A 448 -0.995 -3.317 1.460 1.00 15.00 H new ATOM 0 HB2 TYR A 448 0.203 -3.392 3.547 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -0.803 -2.145 4.256 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -1.100 -5.601 2.811 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -2.573 -2.778 5.642 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -2.596 -7.312 3.742 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.072 -4.485 6.569 1.00 15.00 H new ATOM 0 HH TYR A 448 -4.062 -7.824 5.330 1.00 15.00 H new ATOM 324 N ASN A 449 -3.435 -3.074 1.375 1.00 15.00 N ATOM 325 CA ASN A 449 -4.889 -2.989 1.314 1.00 15.00 C ATOM 326 C ASN A 449 -5.494 -3.990 2.283 1.00 15.00 C ATOM 327 O ASN A 449 -5.107 -5.159 2.301 1.00 15.00 O ATOM 328 CB ASN A 449 -5.394 -3.274 -0.100 1.00 15.00 C ATOM 329 CG ASN A 449 -6.889 -3.004 -0.279 1.00 15.00 C ATOM 330 OD1 ASN A 449 -7.700 -3.235 0.621 1.00 15.00 O ATOM 331 ND2 ASN A 449 -7.273 -2.505 -1.444 1.00 15.00 N ATOM 0 H ASN A 449 -3.034 -3.809 0.793 1.00 15.00 H new ATOM 0 HA ASN A 449 -5.190 -1.978 1.589 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -4.835 -2.662 -0.807 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -5.189 -4.315 -0.348 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -8.259 -2.303 -1.612 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -6.583 -2.322 -2.173 1.00 15.00 H new ATOM 338 N ASN A 450 -6.469 -3.533 3.046 1.00 15.00 N ATOM 339 CA ASN A 450 -7.037 -4.323 4.126 1.00 15.00 C ATOM 340 C ASN A 450 -7.976 -5.424 3.638 1.00 15.00 C ATOM 341 O ASN A 450 -7.827 -6.574 4.048 1.00 15.00 O ATOM 342 CB ASN A 450 -7.762 -3.416 5.125 1.00 15.00 C ATOM 343 CG ASN A 450 -6.808 -2.622 5.999 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.385 -3.091 7.054 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.472 -1.411 5.581 1.00 15.00 N ATOM 0 H ASN A 450 -6.889 -2.610 2.937 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.201 -4.820 4.618 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.408 -2.727 4.581 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.407 -4.024 5.759 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -5.843 -0.835 6.140 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -6.842 -1.055 4.700 1.00 15.00 H new ATOM 352 N ARG A 451 -8.949 -5.108 2.781 1.00 15.00 N ATOM 353 CA ARG A 451 -9.942 -6.125 2.436 1.00 15.00 C ATOM 354 C ARG A 451 -9.517 -6.940 1.223 1.00 15.00 C ATOM 355 O ARG A 451 -10.223 -7.857 0.805 1.00 15.00 O ATOM 356 CB ARG A 451 -11.287 -5.472 2.126 1.00 15.00 C ATOM 357 CG ARG A 451 -11.853 -4.629 3.253 1.00 15.00 C ATOM 358 CD ARG A 451 -13.091 -3.889 2.788 1.00 15.00 C ATOM 359 NE ARG A 451 -12.801 -3.063 1.619 1.00 15.00 N ATOM 360 CZ ARG A 451 -13.623 -2.890 0.589 1.00 15.00 C ATOM 361 NH1 ARG A 451 -14.820 -3.462 0.575 1.00 15.00 N ATOM 362 NH2 ARG A 451 -13.227 -2.151 -0.439 1.00 15.00 N ATOM 0 H ARG A 451 -9.069 -4.200 2.332 1.00 15.00 H new ATOM 0 HA ARG A 451 -10.029 -6.787 3.297 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -11.177 -4.845 1.241 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -12.006 -6.252 1.877 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -12.099 -5.265 4.103 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -11.102 -3.916 3.595 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -13.877 -4.605 2.546 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -13.469 -3.262 3.596 1.00 15.00 H new ATOM 0 HE ARG A 451 -11.901 -2.583 1.591 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -15.118 -4.041 1.360 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -15.443 -3.322 -0.221 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -12.301 -1.723 -0.433 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -13.848 -2.011 -1.236 1.00 15.00 H new ATOM 376 N THR A 452 -8.371 -6.615 0.658 1.00 15.00 N ATOM 377 CA THR A 452 -7.681 -7.531 -0.225 1.00 15.00 C ATOM 378 C THR A 452 -6.722 -8.365 0.600 1.00 15.00 C ATOM 379 O THR A 452 -6.501 -9.551 0.333 1.00 15.00 O ATOM 380 CB THR A 452 -6.919 -6.800 -1.330 1.00 15.00 C ATOM 381 OG1 THR A 452 -5.963 -5.933 -0.736 1.00 15.00 O ATOM 382 CG2 THR A 452 -7.864 -5.998 -2.213 1.00 15.00 C ATOM 0 H THR A 452 -7.898 -5.722 0.796 1.00 15.00 H new ATOM 0 HA THR A 452 -8.421 -8.165 -0.713 1.00 15.00 H new ATOM 0 HB THR A 452 -6.419 -7.538 -1.958 1.00 15.00 H new ATOM 0 HG1 THR A 452 -5.385 -5.558 -1.432 1.00 15.00 H new ATOM 0 HG21 THR A 452 -7.293 -5.489 -2.989 1.00 15.00 H new ATOM 0 HG22 THR A 452 -8.587 -6.669 -2.676 1.00 15.00 H new ATOM 0 HG23 THR A 452 -8.390 -5.260 -1.607 1.00 15.00 H new ATOM 390 N ASP A 453 -6.149 -7.693 1.608 1.00 15.00 N ATOM 391 CA ASP A 453 -5.151 -8.272 2.491 1.00 15.00 C ATOM 392 C ASP A 453 -3.859 -8.504 1.709 1.00 15.00 C ATOM 393 O ASP A 453 -3.118 -9.461 1.940 1.00 15.00 O ATOM 394 CB ASP A 453 -5.709 -9.553 3.118 1.00 15.00 C ATOM 395 CG ASP A 453 -4.749 -10.260 4.055 1.00 15.00 C ATOM 396 OD1 ASP A 453 -4.316 -9.652 5.056 1.00 15.00 O ATOM 397 OD2 ASP A 453 -4.455 -11.448 3.812 1.00 15.00 O ATOM 0 H ASP A 453 -6.374 -6.723 1.828 1.00 15.00 H new ATOM 0 HA ASP A 453 -4.914 -7.592 3.309 1.00 15.00 H new ATOM 0 HB2 ASP A 453 -6.619 -9.309 3.666 1.00 15.00 H new ATOM 0 HB3 ASP A 453 -5.992 -10.240 2.321 1.00 15.00 H new ATOM 402 N GLU A 454 -3.566 -7.585 0.793 1.00 15.00 N ATOM 403 CA GLU A 454 -2.342 -7.677 0.006 1.00 15.00 C ATOM 404 C GLU A 454 -1.642 -6.328 -0.074 1.00 15.00 C ATOM 405 O GLU A 454 -2.281 -5.276 -0.008 1.00 15.00 O ATOM 406 CB GLU A 454 -2.601 -8.264 -1.392 1.00 15.00 C ATOM 407 CG GLU A 454 -3.781 -7.676 -2.148 1.00 15.00 C ATOM 408 CD GLU A 454 -3.482 -6.334 -2.776 1.00 15.00 C ATOM 409 OE1 GLU A 454 -2.490 -6.232 -3.522 1.00 15.00 O ATOM 410 OE2 GLU A 454 -4.251 -5.385 -2.540 1.00 15.00 O ATOM 0 H GLU A 454 -4.152 -6.778 0.580 1.00 15.00 H new ATOM 0 HA GLU A 454 -1.675 -8.369 0.520 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -1.703 -8.128 -1.995 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -2.757 -9.338 -1.291 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -4.088 -8.373 -2.927 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -4.624 -7.570 -1.465 1.00 15.00 H new ATOM 417 N SER A 455 -0.327 -6.372 -0.188 1.00 15.00 N ATOM 418 CA SER A 455 0.478 -5.169 -0.210 1.00 15.00 C ATOM 419 C SER A 455 1.273 -5.077 -1.506 1.00 15.00 C ATOM 420 O SER A 455 1.895 -6.047 -1.939 1.00 15.00 O ATOM 421 CB SER A 455 1.428 -5.160 0.988 1.00 15.00 C ATOM 422 OG SER A 455 2.180 -3.962 1.034 1.00 15.00 O ATOM 0 H SER A 455 0.208 -7.237 -0.267 1.00 15.00 H new ATOM 0 HA SER A 455 -0.185 -4.306 -0.151 1.00 15.00 H new ATOM 0 HB2 SER A 455 0.857 -5.270 1.910 1.00 15.00 H new ATOM 0 HB3 SER A 455 2.102 -6.014 0.927 1.00 15.00 H new ATOM 0 HG SER A 455 1.713 -3.263 0.530 1.00 15.00 H new ATOM 428 N THR A 456 1.257 -3.902 -2.107 1.00 15.00 N ATOM 429 CA THR A 456 2.021 -3.654 -3.309 1.00 15.00 C ATOM 430 C THR A 456 3.017 -2.523 -3.070 1.00 15.00 C ATOM 431 O THR A 456 2.782 -1.633 -2.248 1.00 15.00 O ATOM 432 CB THR A 456 1.101 -3.313 -4.506 1.00 15.00 C ATOM 433 OG1 THR A 456 1.877 -3.125 -5.699 1.00 15.00 O ATOM 434 CG2 THR A 456 0.279 -2.062 -4.233 1.00 15.00 C ATOM 0 H THR A 456 0.718 -3.101 -1.777 1.00 15.00 H new ATOM 0 HA THR A 456 2.564 -4.566 -3.557 1.00 15.00 H new ATOM 0 HB THR A 456 0.420 -4.152 -4.645 1.00 15.00 H new ATOM 0 HG1 THR A 456 1.281 -2.912 -6.447 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.357 -1.849 -5.093 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.343 -2.220 -3.352 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.947 -1.219 -4.058 1.00 15.00 H new ATOM 442 N TRP A 457 4.140 -2.579 -3.768 1.00 15.00 N ATOM 443 CA TRP A 457 5.152 -1.539 -3.669 1.00 15.00 C ATOM 444 C TRP A 457 4.918 -0.492 -4.746 1.00 15.00 C ATOM 445 O TRP A 457 5.618 0.518 -4.820 1.00 15.00 O ATOM 446 CB TRP A 457 6.552 -2.141 -3.798 1.00 15.00 C ATOM 447 CG TRP A 457 6.846 -3.167 -2.745 1.00 15.00 C ATOM 448 CD1 TRP A 457 6.538 -4.496 -2.787 1.00 15.00 C ATOM 449 CD2 TRP A 457 7.503 -2.945 -1.491 1.00 15.00 C ATOM 450 NE1 TRP A 457 6.958 -5.112 -1.635 1.00 15.00 N ATOM 451 CE2 TRP A 457 7.556 -4.184 -0.825 1.00 15.00 C ATOM 452 CE3 TRP A 457 8.052 -1.820 -0.869 1.00 15.00 C ATOM 453 CZ2 TRP A 457 8.136 -4.326 0.435 1.00 15.00 C ATOM 454 CZ3 TRP A 457 8.626 -1.964 0.379 1.00 15.00 C ATOM 455 CH2 TRP A 457 8.666 -3.209 1.019 1.00 15.00 C ATOM 0 H TRP A 457 4.374 -3.336 -4.411 1.00 15.00 H new ATOM 0 HA TRP A 457 5.077 -1.062 -2.692 1.00 15.00 H new ATOM 0 HB2 TRP A 457 6.656 -2.598 -4.782 1.00 15.00 H new ATOM 0 HB3 TRP A 457 7.292 -1.343 -3.737 1.00 15.00 H new ATOM 0 HD1 TRP A 457 6.037 -4.990 -3.606 1.00 15.00 H new ATOM 0 HE1 TRP A 457 6.843 -6.102 -1.417 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.028 -0.856 -1.355 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 8.166 -5.284 0.932 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 9.051 -1.101 0.870 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.125 -3.288 1.994 1.00 15.00 H new ATOM 466 N GLU A 458 3.923 -0.755 -5.579 1.00 15.00 N ATOM 467 CA GLU A 458 3.534 0.155 -6.642 1.00 15.00 C ATOM 468 C GLU A 458 2.417 1.067 -6.145 1.00 15.00 C ATOM 469 O GLU A 458 1.526 0.618 -5.424 1.00 15.00 O ATOM 470 CB GLU A 458 3.062 -0.649 -7.858 1.00 15.00 C ATOM 471 CG GLU A 458 2.734 0.198 -9.075 1.00 15.00 C ATOM 472 CD GLU A 458 2.232 -0.636 -10.236 1.00 15.00 C ATOM 473 OE1 GLU A 458 3.065 -1.139 -11.020 1.00 15.00 O ATOM 474 OE2 GLU A 458 1.003 -0.787 -10.377 1.00 15.00 O ATOM 0 H GLU A 458 3.363 -1.606 -5.536 1.00 15.00 H new ATOM 0 HA GLU A 458 4.388 0.767 -6.934 1.00 15.00 H new ATOM 0 HB2 GLU A 458 3.836 -1.367 -8.127 1.00 15.00 H new ATOM 0 HB3 GLU A 458 2.178 -1.223 -7.579 1.00 15.00 H new ATOM 0 HG2 GLU A 458 1.979 0.937 -8.808 1.00 15.00 H new ATOM 0 HG3 GLU A 458 3.623 0.748 -9.383 1.00 15.00 H new ATOM 481 N LYS A 459 2.469 2.336 -6.534 1.00 15.00 N ATOM 482 CA LYS A 459 1.463 3.313 -6.130 1.00 15.00 C ATOM 483 C LYS A 459 0.051 2.852 -6.510 1.00 15.00 C ATOM 484 O LYS A 459 -0.223 2.550 -7.674 1.00 15.00 O ATOM 485 CB LYS A 459 1.764 4.670 -6.773 1.00 15.00 C ATOM 486 CG LYS A 459 0.661 5.696 -6.579 1.00 15.00 C ATOM 487 CD LYS A 459 0.989 7.016 -7.253 1.00 15.00 C ATOM 488 CE LYS A 459 1.914 7.874 -6.409 1.00 15.00 C ATOM 489 NZ LYS A 459 2.119 9.216 -7.014 1.00 15.00 N ATOM 0 H LYS A 459 3.203 2.715 -7.133 1.00 15.00 H new ATOM 0 HA LYS A 459 1.503 3.410 -5.045 1.00 15.00 H new ATOM 0 HB2 LYS A 459 2.691 5.063 -6.355 1.00 15.00 H new ATOM 0 HB3 LYS A 459 1.931 4.527 -7.841 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -0.273 5.305 -6.982 1.00 15.00 H new ATOM 0 HG3 LYS A 459 0.503 5.862 -5.513 1.00 15.00 H new ATOM 0 HD2 LYS A 459 1.455 6.823 -8.219 1.00 15.00 H new ATOM 0 HD3 LYS A 459 0.066 7.562 -7.448 1.00 15.00 H new ATOM 0 HE2 LYS A 459 1.496 7.985 -5.409 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.876 7.373 -6.299 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 2.424 9.885 -6.279 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 2.849 9.156 -7.752 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 1.227 9.547 -7.435 1.00 15.00 H new ATOM 503 N PRO A 460 -0.857 2.800 -5.518 1.00 15.00 N ATOM 504 CA PRO A 460 -2.248 2.376 -5.720 1.00 15.00 C ATOM 505 C PRO A 460 -3.005 3.314 -6.655 1.00 15.00 C ATOM 506 O PRO A 460 -2.746 4.518 -6.691 1.00 15.00 O ATOM 507 CB PRO A 460 -2.855 2.419 -4.315 1.00 15.00 C ATOM 508 CG PRO A 460 -1.695 2.453 -3.381 1.00 15.00 C ATOM 509 CD PRO A 460 -0.596 3.155 -4.116 1.00 15.00 C ATOM 0 HA PRO A 460 -2.306 1.393 -6.187 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.487 3.298 -4.187 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -3.481 1.546 -4.131 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.949 2.981 -2.462 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -1.393 1.445 -3.097 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -0.630 4.233 -3.960 1.00 15.00 H new ATOM 0 HD3 PRO A 460 0.388 2.817 -3.790 1.00 15.00 H new ATOM 517 N GLN A 461 -3.974 2.762 -7.373 1.00 15.00 N ATOM 518 CA GLN A 461 -4.701 3.506 -8.396 1.00 15.00 C ATOM 519 C GLN A 461 -5.586 4.608 -7.806 1.00 15.00 C ATOM 520 O GLN A 461 -6.113 5.439 -8.543 1.00 15.00 O ATOM 521 CB GLN A 461 -5.544 2.554 -9.247 1.00 15.00 C ATOM 522 CG GLN A 461 -4.719 1.628 -10.132 1.00 15.00 C ATOM 523 CD GLN A 461 -3.826 2.393 -11.090 1.00 15.00 C ATOM 524 OE1 GLN A 461 -4.242 2.755 -12.191 1.00 15.00 O ATOM 525 NE2 GLN A 461 -2.585 2.625 -10.691 1.00 15.00 N ATOM 0 H GLN A 461 -4.277 1.794 -7.265 1.00 15.00 H new ATOM 0 HA GLN A 461 -3.955 3.994 -9.023 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.170 1.951 -8.589 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.215 3.140 -9.875 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -4.106 0.981 -9.505 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -5.387 0.981 -10.700 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -2.278 2.309 -9.771 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -1.936 3.120 -11.303 1.00 15.00 H new ATOM 534 N GLU A 462 -5.770 4.609 -6.492 1.00 15.00 N ATOM 535 CA GLU A 462 -6.549 5.662 -5.842 1.00 15.00 C ATOM 536 C GLU A 462 -5.625 6.712 -5.235 1.00 15.00 C ATOM 537 O GLU A 462 -6.076 7.721 -4.696 1.00 15.00 O ATOM 538 CB GLU A 462 -7.466 5.071 -4.766 1.00 15.00 C ATOM 539 CG GLU A 462 -6.721 4.419 -3.614 1.00 15.00 C ATOM 540 CD GLU A 462 -7.646 3.644 -2.702 1.00 15.00 C ATOM 541 OE1 GLU A 462 -8.106 2.563 -3.118 1.00 15.00 O ATOM 542 OE2 GLU A 462 -7.919 4.116 -1.580 1.00 15.00 O ATOM 0 H GLU A 462 -5.396 3.902 -5.859 1.00 15.00 H new ATOM 0 HA GLU A 462 -7.171 6.142 -6.597 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -8.104 5.862 -4.372 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -8.121 4.332 -5.227 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.958 3.749 -4.010 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -6.204 5.186 -3.038 1.00 15.00 H new ATOM 549 N LEU A 463 -4.327 6.466 -5.340 1.00 15.00 N ATOM 550 CA LEU A 463 -3.327 7.357 -4.773 1.00 15.00 C ATOM 551 C LEU A 463 -2.409 7.885 -5.875 1.00 15.00 C ATOM 552 O LEU A 463 -1.409 8.547 -5.599 1.00 15.00 O ATOM 553 CB LEU A 463 -2.510 6.604 -3.715 1.00 15.00 C ATOM 554 CG LEU A 463 -1.562 7.463 -2.874 1.00 15.00 C ATOM 555 CD1 LEU A 463 -2.347 8.454 -2.028 1.00 15.00 C ATOM 556 CD2 LEU A 463 -0.685 6.585 -1.994 1.00 15.00 C ATOM 0 H LEU A 463 -3.941 5.651 -5.816 1.00 15.00 H new ATOM 0 HA LEU A 463 -3.825 8.204 -4.302 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -3.201 6.094 -3.044 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -1.925 5.833 -4.215 1.00 15.00 H new ATOM 0 HG LEU A 463 -0.917 8.025 -3.550 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.656 9.055 -1.437 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -2.931 9.106 -2.678 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.018 7.912 -1.361 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -0.018 7.213 -1.404 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -1.314 5.995 -1.327 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -0.094 5.917 -2.620 1.00 15.00 H new ATOM 568 N LYS A 464 -2.775 7.607 -7.124 1.00 15.00 N ATOM 569 CA LYS A 464 -1.939 7.960 -8.267 1.00 15.00 C ATOM 570 C LYS A 464 -1.724 9.471 -8.362 1.00 15.00 C ATOM 571 O LYS A 464 -2.704 10.208 -8.616 1.00 15.00 O ATOM 572 CB LYS A 464 -2.522 7.405 -9.574 1.00 15.00 C ATOM 573 CG LYS A 464 -3.952 7.829 -9.861 1.00 15.00 C ATOM 574 CD LYS A 464 -4.368 7.451 -11.275 1.00 15.00 C ATOM 575 CE LYS A 464 -4.423 5.946 -11.472 1.00 15.00 C ATOM 576 NZ LYS A 464 -4.715 5.582 -12.884 1.00 15.00 N ATOM 577 OXT LYS A 464 -0.567 9.914 -8.190 1.00 15.00 O ATOM 0 H LYS A 464 -3.647 7.138 -7.370 1.00 15.00 H new ATOM 0 HA LYS A 464 -0.964 7.498 -8.110 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -1.890 7.724 -10.402 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -2.480 6.316 -9.541 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -4.624 7.358 -9.144 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -4.048 8.907 -9.727 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -5.346 7.880 -11.491 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -3.665 7.884 -11.987 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -3.472 5.506 -11.173 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -5.189 5.523 -10.822 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -4.627 4.552 -13.002 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -5.683 5.877 -13.126 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -4.040 6.061 -13.513 1.00 15.00 H new TER 591 LYS A 464