USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 270 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= -0.3 K(o=0.31,f=-16!) USER MOD Set 1.2: A 464 LYS NZ :NH3+ -165:sc= 0.609! (180deg=-1.01!) USER MOD Set 2.1: A 449 ASN : amide:sc= 0.228 K(o=1.3,f=-12!) USER MOD Set 2.2: A 452 THR OG1 : rot 154:sc= 1.08 USER MOD Set 3.1: A 447 TYR OH : rot -128:sc= 2.29 USER MOD Set 3.2: A 459 LYS NZ :NH3+ -161:sc= 1.23 (180deg=-0.0524) USER MOD Set 4.1: A 436 THR OG1 : rot 160:sc= 0.347 USER MOD Set 4.2: A 450 ASN : amide:sc= 0.366 X(o=0.71,f=1) USER MOD Single : A 433 SER OG : rot -85:sc= 1.25 USER MOD Single : A 439 LYS NZ :NH3+ -106:sc= -0.972 (180deg=-3.22!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.15) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 180:sc= -0.354 USER MOD Single : A 448 TYR OH : rot 180:sc= -0.0242 USER MOD Single : A 455 SER OG : rot 45:sc= 0.0381 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 432 2.864 10.980 -8.836 1.00 15.00 N ATOM 2 CA VAL A 432 2.952 9.551 -9.210 1.00 15.00 C ATOM 3 C VAL A 432 2.777 8.653 -7.989 1.00 15.00 C ATOM 4 O VAL A 432 3.336 8.918 -6.924 1.00 15.00 O ATOM 5 CB VAL A 432 4.294 9.219 -9.905 1.00 15.00 C ATOM 6 CG1 VAL A 432 4.364 9.886 -11.272 1.00 15.00 C ATOM 7 CG2 VAL A 432 5.480 9.643 -9.043 1.00 15.00 C ATOM 0 HA VAL A 432 2.143 9.361 -9.915 1.00 15.00 H new ATOM 0 HB VAL A 432 4.345 8.139 -10.040 1.00 15.00 H new ATOM 0 HG11 VAL A 432 5.314 9.642 -11.747 1.00 15.00 H new ATOM 0 HG12 VAL A 432 3.544 9.527 -11.894 1.00 15.00 H new ATOM 0 HG13 VAL A 432 4.284 10.967 -11.154 1.00 15.00 H new ATOM 0 HG21 VAL A 432 6.409 9.397 -9.557 1.00 15.00 H new ATOM 0 HG22 VAL A 432 5.436 10.718 -8.867 1.00 15.00 H new ATOM 0 HG23 VAL A 432 5.443 9.117 -8.089 1.00 15.00 H new ATOM 17 N SER A 433 1.983 7.603 -8.144 1.00 15.00 N ATOM 18 CA SER A 433 1.766 6.638 -7.076 1.00 15.00 C ATOM 19 C SER A 433 2.956 5.694 -6.939 1.00 15.00 C ATOM 20 O SER A 433 3.361 5.046 -7.903 1.00 15.00 O ATOM 21 CB SER A 433 0.497 5.827 -7.348 1.00 15.00 C ATOM 22 OG SER A 433 -0.664 6.633 -7.236 1.00 15.00 O ATOM 0 H SER A 433 1.476 7.397 -9.005 1.00 15.00 H new ATOM 0 HA SER A 433 1.652 7.190 -6.143 1.00 15.00 H new ATOM 0 HB2 SER A 433 0.547 5.394 -8.347 1.00 15.00 H new ATOM 0 HB3 SER A 433 0.435 4.997 -6.644 1.00 15.00 H new ATOM 0 HG SER A 433 -0.947 6.671 -6.298 1.00 15.00 H new ATOM 28 N GLU A 434 3.513 5.624 -5.738 1.00 15.00 N ATOM 29 CA GLU A 434 4.548 4.646 -5.441 1.00 15.00 C ATOM 30 C GLU A 434 3.969 3.569 -4.527 1.00 15.00 C ATOM 31 O GLU A 434 4.699 2.752 -3.958 1.00 15.00 O ATOM 32 CB GLU A 434 5.756 5.296 -4.762 1.00 15.00 C ATOM 33 CG GLU A 434 7.046 4.528 -4.991 1.00 15.00 C ATOM 34 CD GLU A 434 7.479 4.530 -6.442 1.00 15.00 C ATOM 35 OE1 GLU A 434 7.711 5.626 -6.994 1.00 15.00 O ATOM 36 OE2 GLU A 434 7.615 3.441 -7.030 1.00 15.00 O1- ATOM 0 H GLU A 434 3.266 6.231 -4.956 1.00 15.00 H new ATOM 0 HA GLU A 434 4.886 4.207 -6.380 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.873 6.313 -5.136 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.568 5.370 -3.691 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.836 4.964 -4.380 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.915 3.499 -4.657 1.00 15.00 H new ATOM 43 N TRP A 435 2.645 3.561 -4.415 1.00 15.00 N ATOM 44 CA TRP A 435 1.950 2.612 -3.558 1.00 15.00 C ATOM 45 C TRP A 435 1.624 1.353 -4.345 1.00 15.00 C ATOM 46 O TRP A 435 0.834 1.390 -5.288 1.00 15.00 O ATOM 47 CB TRP A 435 0.645 3.220 -3.017 1.00 15.00 C ATOM 48 CG TRP A 435 0.831 4.406 -2.112 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.775 5.727 -2.459 1.00 15.00 C ATOM 50 CD2 TRP A 435 1.081 4.374 -0.702 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.987 6.515 -1.353 1.00 15.00 N ATOM 52 CE2 TRP A 435 1.177 5.709 -0.262 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.239 3.347 0.232 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.423 6.040 1.068 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.481 3.676 1.552 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.570 5.013 1.960 1.00 15.00 C ATOM 0 H TRP A 435 2.030 4.206 -4.911 1.00 15.00 H new ATOM 0 HA TRP A 435 2.601 2.368 -2.719 1.00 15.00 H new ATOM 0 HB2 TRP A 435 0.022 3.518 -3.860 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.099 2.449 -2.474 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.591 6.097 -3.457 1.00 15.00 H new ATOM 0 HE1 TRP A 435 1.001 7.535 -1.346 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.173 2.313 -0.073 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 1.495 7.070 1.384 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.604 2.889 2.281 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.758 5.238 2.999 1.00 15.00 H new ATOM 67 N THR A 436 2.259 0.251 -3.987 1.00 15.00 N ATOM 68 CA THR A 436 2.008 -1.017 -4.650 1.00 15.00 C ATOM 69 C THR A 436 1.030 -1.870 -3.850 1.00 15.00 C ATOM 70 O THR A 436 1.015 -1.821 -2.617 1.00 15.00 O ATOM 71 CB THR A 436 3.321 -1.792 -4.881 1.00 15.00 C ATOM 72 OG1 THR A 436 4.145 -1.714 -3.711 1.00 15.00 O ATOM 73 CG2 THR A 436 4.072 -1.233 -6.081 1.00 15.00 C ATOM 0 H THR A 436 2.953 0.208 -3.240 1.00 15.00 H new ATOM 0 HA THR A 436 1.562 -0.796 -5.620 1.00 15.00 H new ATOM 0 HB THR A 436 3.076 -2.835 -5.082 1.00 15.00 H new ATOM 0 HG1 THR A 436 4.803 -2.440 -3.725 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.995 -1.794 -6.226 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.450 -1.320 -6.972 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.309 -0.184 -5.905 1.00 15.00 H new ATOM 81 N GLU A 437 0.219 -2.644 -4.559 1.00 15.00 N ATOM 82 CA GLU A 437 -0.813 -3.463 -3.938 1.00 15.00 C ATOM 83 C GLU A 437 -0.255 -4.832 -3.589 1.00 15.00 C ATOM 84 O GLU A 437 0.199 -5.563 -4.467 1.00 15.00 O ATOM 85 CB GLU A 437 -1.995 -3.617 -4.896 1.00 15.00 C ATOM 86 CG GLU A 437 -3.215 -4.282 -4.294 1.00 15.00 C ATOM 87 CD GLU A 437 -4.004 -3.323 -3.437 1.00 15.00 C ATOM 88 OE1 GLU A 437 -3.632 -3.137 -2.269 1.00 15.00 O1- ATOM 89 OE2 GLU A 437 -4.985 -2.730 -3.948 1.00 15.00 O ATOM 0 H GLU A 437 0.257 -2.722 -5.575 1.00 15.00 H new ATOM 0 HA GLU A 437 -1.150 -2.975 -3.024 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.279 -2.630 -5.262 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.671 -4.197 -5.760 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.851 -4.666 -5.091 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.905 -5.137 -3.693 1.00 15.00 H new ATOM 96 N ARG A 438 -0.288 -5.177 -2.319 1.00 15.00 N ATOM 97 CA ARG A 438 0.238 -6.462 -1.884 1.00 15.00 C ATOM 98 C ARG A 438 -0.800 -7.230 -1.078 1.00 15.00 C ATOM 99 O ARG A 438 -1.086 -6.891 0.072 1.00 15.00 O ATOM 100 CB ARG A 438 1.518 -6.277 -1.062 1.00 15.00 C ATOM 101 CG ARG A 438 2.271 -7.574 -0.806 1.00 15.00 C ATOM 102 CD ARG A 438 3.546 -7.332 -0.013 1.00 15.00 C ATOM 103 NE ARG A 438 4.379 -8.533 0.078 1.00 15.00 N ATOM 104 CZ ARG A 438 5.575 -8.565 0.668 1.00 15.00 C ATOM 105 NH1 ARG A 438 6.022 -7.504 1.328 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 6.300 -9.676 0.638 1.00 15.00 N ATOM 0 H ARG A 438 -0.669 -4.595 -1.573 1.00 15.00 H new ATOM 0 HA ARG A 438 0.480 -7.042 -2.775 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.176 -5.581 -1.582 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.263 -5.820 -0.106 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.629 -8.267 -0.262 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.517 -8.047 -1.757 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.117 -6.531 -0.483 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.289 -6.994 0.991 1.00 15.00 H new ATOM 0 HE ARG A 438 4.024 -9.396 -0.334 1.00 15.00 H new ATOM 0 HH11 ARG A 438 5.451 -6.661 1.385 1.00 15.00 H new ATOM 0 HH12 ARG A 438 6.937 -7.532 1.778 1.00 15.00 H new ATOM 0 HH21 ARG A 438 5.943 -10.505 0.164 1.00 15.00 H new ATOM 0 HH22 ARG A 438 7.215 -9.701 1.089 1.00 15.00 H new ATOM 120 N LYS A 439 -1.385 -8.246 -1.699 1.00 15.00 N ATOM 121 CA LYS A 439 -2.343 -9.103 -1.022 1.00 15.00 C ATOM 122 C LYS A 439 -1.642 -10.362 -0.530 1.00 15.00 C ATOM 123 O LYS A 439 -1.267 -11.228 -1.320 1.00 15.00 O ATOM 124 CB LYS A 439 -3.503 -9.473 -1.951 1.00 15.00 C ATOM 125 CG LYS A 439 -4.202 -8.268 -2.561 1.00 15.00 C ATOM 126 CD LYS A 439 -5.462 -8.646 -3.338 1.00 15.00 C ATOM 127 CE LYS A 439 -5.154 -9.384 -4.636 1.00 15.00 C ATOM 128 NZ LYS A 439 -4.763 -10.803 -4.413 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.211 -8.495 -2.673 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.754 -8.560 -0.171 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.127 -10.109 -2.753 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.231 -10.061 -1.393 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.465 -7.567 -1.769 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.511 -7.751 -3.227 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -6.096 -9.272 -2.711 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -6.029 -7.743 -3.564 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -6.030 -9.351 -5.284 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -4.349 -8.868 -5.160 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -3.739 -10.908 -4.561 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.003 -11.080 -3.440 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.274 -11.413 -5.083 1.00 15.00 H new ATOM 142 N THR A 440 -1.442 -10.442 0.772 1.00 15.00 N ATOM 143 CA THR A 440 -0.718 -11.551 1.366 1.00 15.00 C ATOM 144 C THR A 440 -1.676 -12.669 1.764 1.00 15.00 C ATOM 145 O THR A 440 -2.842 -12.417 2.083 1.00 15.00 O ATOM 146 CB THR A 440 0.112 -11.091 2.589 1.00 15.00 C ATOM 147 OG1 THR A 440 0.912 -12.171 3.082 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.781 -10.566 3.706 1.00 15.00 C ATOM 0 H THR A 440 -1.773 -9.748 1.442 1.00 15.00 H new ATOM 0 HA THR A 440 -0.027 -11.935 0.615 1.00 15.00 H new ATOM 0 HB THR A 440 0.759 -10.279 2.259 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.433 -11.866 3.854 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.164 -10.252 4.548 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.357 -9.716 3.342 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.461 -11.354 4.029 1.00 15.00 H new ATOM 156 N ALA A 441 -1.177 -13.905 1.731 1.00 15.00 N ATOM 157 CA ALA A 441 -1.970 -15.092 2.065 1.00 15.00 C ATOM 158 C ALA A 441 -2.488 -15.067 3.502 1.00 15.00 C ATOM 159 O ALA A 441 -3.240 -15.950 3.916 1.00 15.00 O ATOM 160 CB ALA A 441 -1.148 -16.348 1.834 1.00 15.00 C ATOM 0 H ALA A 441 -0.213 -14.113 1.472 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.840 -15.091 1.408 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.745 -17.225 2.085 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.849 -16.400 0.787 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.259 -16.322 2.464 1.00 15.00 H new ATOM 166 N ASP A 442 -2.083 -14.059 4.257 1.00 15.00 N ATOM 167 CA ASP A 442 -2.578 -13.859 5.612 1.00 15.00 C ATOM 168 C ASP A 442 -3.967 -13.206 5.565 1.00 15.00 C ATOM 169 O ASP A 442 -4.572 -12.901 6.595 1.00 15.00 O ATOM 170 CB ASP A 442 -1.581 -12.995 6.394 1.00 15.00 C ATOM 171 CG ASP A 442 -1.895 -12.894 7.874 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.360 -13.891 8.466 1.00 15.00 O ATOM 173 OD2 ASP A 442 -1.645 -11.822 8.463 1.00 15.00 O1- ATOM 0 H ASP A 442 -1.406 -13.360 3.952 1.00 15.00 H new ATOM 0 HA ASP A 442 -2.674 -14.818 6.120 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.580 -13.409 6.271 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.567 -11.993 5.965 1.00 15.00 H new ATOM 178 N GLY A 443 -4.465 -12.999 4.349 1.00 15.00 N ATOM 179 CA GLY A 443 -5.804 -12.481 4.158 1.00 15.00 C ATOM 180 C GLY A 443 -5.863 -10.980 4.309 1.00 15.00 C ATOM 181 O GLY A 443 -6.882 -10.427 4.724 1.00 15.00 O ATOM 0 H GLY A 443 -3.956 -13.184 3.485 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.161 -12.759 3.166 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.477 -12.944 4.880 1.00 15.00 H new ATOM 185 N LYS A 444 -4.771 -10.314 3.971 1.00 15.00 N ATOM 186 CA LYS A 444 -4.671 -8.876 4.165 1.00 15.00 C ATOM 187 C LYS A 444 -4.099 -8.195 2.934 1.00 15.00 C ATOM 188 O LYS A 444 -3.119 -8.656 2.346 1.00 15.00 O ATOM 189 CB LYS A 444 -3.800 -8.570 5.380 1.00 15.00 C ATOM 190 CG LYS A 444 -4.340 -9.158 6.673 1.00 15.00 C ATOM 191 CD LYS A 444 -3.319 -9.099 7.791 1.00 15.00 C ATOM 192 CE LYS A 444 -3.853 -9.747 9.056 1.00 15.00 C ATOM 193 NZ LYS A 444 -2.771 -10.008 10.038 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.942 -10.745 3.561 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.675 -8.488 4.334 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -2.796 -8.957 5.205 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.710 -7.489 5.491 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.237 -8.615 6.972 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.635 -10.194 6.505 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.404 -9.603 7.479 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -3.057 -8.061 7.994 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.605 -9.100 9.507 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -4.349 -10.684 8.803 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -3.185 -10.356 10.926 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -2.120 -10.723 9.656 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -2.249 -9.128 10.221 1.00 15.00 H new ATOM 207 N THR A 445 -4.712 -7.088 2.575 1.00 15.00 N ATOM 208 CA THR A 445 -4.278 -6.286 1.446 1.00 15.00 C ATOM 209 C THR A 445 -3.749 -4.947 1.949 1.00 15.00 C ATOM 210 O THR A 445 -4.527 -4.070 2.335 1.00 15.00 O ATOM 211 CB THR A 445 -5.446 -6.043 0.469 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.119 -7.286 0.205 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.951 -5.438 -0.837 1.00 15.00 C ATOM 0 H THR A 445 -5.529 -6.715 3.058 1.00 15.00 H new ATOM 0 HA THR A 445 -3.489 -6.823 0.919 1.00 15.00 H new ATOM 0 HB THR A 445 -6.139 -5.339 0.929 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.862 -7.130 -0.415 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.796 -5.277 -1.507 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.462 -4.485 -0.634 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.240 -6.118 -1.306 1.00 15.00 H new ATOM 221 N TYR A 446 -2.434 -4.801 1.985 1.00 15.00 N ATOM 222 CA TYR A 446 -1.834 -3.604 2.548 1.00 15.00 C ATOM 223 C TYR A 446 -0.994 -2.881 1.503 1.00 15.00 C ATOM 224 O TYR A 446 -0.424 -3.506 0.601 1.00 15.00 O ATOM 225 CB TYR A 446 -0.999 -3.951 3.792 1.00 15.00 C ATOM 226 CG TYR A 446 0.384 -4.498 3.507 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.569 -5.820 3.127 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.506 -3.688 3.633 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.834 -6.321 2.881 1.00 15.00 C ATOM 230 CE2 TYR A 446 2.771 -4.179 3.388 1.00 15.00 C ATOM 231 CZ TYR A 446 2.930 -5.495 3.010 1.00 15.00 C ATOM 232 OH TYR A 446 4.191 -5.988 2.769 1.00 15.00 O ATOM 0 H TYR A 446 -1.768 -5.490 1.635 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.632 -2.930 2.858 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.899 -3.055 4.404 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -1.547 -4.683 4.385 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.289 -6.468 3.022 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.385 -2.656 3.928 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.963 -7.353 2.590 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.633 -3.536 3.492 1.00 15.00 H new ATOM 0 HH TYR A 446 4.852 -5.277 2.903 1.00 15.00 H new ATOM 242 N TYR A 447 -0.913 -1.569 1.643 1.00 15.00 N ATOM 243 CA TYR A 447 -0.232 -0.734 0.672 1.00 15.00 C ATOM 244 C TYR A 447 1.148 -0.341 1.160 1.00 15.00 C ATOM 245 O TYR A 447 1.309 0.206 2.255 1.00 15.00 O ATOM 246 CB TYR A 447 -1.059 0.514 0.381 1.00 15.00 C ATOM 247 CG TYR A 447 -2.340 0.208 -0.349 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.485 -0.169 0.340 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.400 0.279 -1.733 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.651 -0.469 -0.332 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.563 -0.012 -2.408 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.684 -0.386 -1.706 1.00 15.00 C ATOM 253 OH TYR A 447 -5.833 -0.702 -2.386 1.00 15.00 O ATOM 0 H TYR A 447 -1.315 -1.056 2.428 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.116 -1.310 -0.246 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.292 1.017 1.320 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.464 1.208 -0.213 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.462 -0.228 1.418 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.520 0.567 -2.289 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.533 -0.767 0.216 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.595 0.053 -3.486 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.628 -1.352 -3.090 1.00 15.00 H new ATOM 263 N TYR A 448 2.140 -0.623 0.338 1.00 15.00 N ATOM 264 CA TYR A 448 3.503 -0.236 0.635 1.00 15.00 C ATOM 265 C TYR A 448 3.994 0.770 -0.394 1.00 15.00 C ATOM 266 O TYR A 448 3.982 0.499 -1.596 1.00 15.00 O ATOM 267 CB TYR A 448 4.422 -1.460 0.656 1.00 15.00 C ATOM 268 CG TYR A 448 5.869 -1.118 0.933 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.249 -0.559 2.145 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.851 -1.342 -0.023 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.567 -0.233 2.400 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.171 -1.017 0.224 1.00 15.00 C ATOM 273 CZ TYR A 448 8.522 -0.465 1.436 1.00 15.00 C ATOM 274 OH TYR A 448 9.835 -0.133 1.685 1.00 15.00 O ATOM 0 H TYR A 448 2.025 -1.121 -0.545 1.00 15.00 H new ATOM 0 HA TYR A 448 3.524 0.225 1.622 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.069 -2.157 1.416 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.354 -1.973 -0.304 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.501 -0.376 2.902 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.579 -1.777 -0.974 1.00 15.00 H new ATOM 0 HE1 TYR A 448 7.846 0.201 3.349 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.924 -1.195 -0.530 1.00 15.00 H new ATOM 0 HH TYR A 448 10.384 -0.361 0.905 1.00 15.00 H new ATOM 284 N ASN A 449 4.399 1.935 0.082 1.00 15.00 N ATOM 285 CA ASN A 449 4.969 2.952 -0.782 1.00 15.00 C ATOM 286 C ASN A 449 6.474 2.757 -0.858 1.00 15.00 C ATOM 287 O ASN A 449 7.169 2.871 0.151 1.00 15.00 O ATOM 288 CB ASN A 449 4.665 4.352 -0.256 1.00 15.00 C ATOM 289 CG ASN A 449 5.021 5.435 -1.259 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.184 5.781 -1.427 1.00 15.00 O ATOM 291 ND2 ASN A 449 4.021 5.993 -1.920 1.00 15.00 N ATOM 0 H ASN A 449 4.343 2.200 1.065 1.00 15.00 H new ATOM 0 HA ASN A 449 4.525 2.854 -1.773 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.606 4.423 -0.009 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.219 4.519 0.668 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.207 6.736 -2.594 1.00 15.00 H new ATOM 0 HD22 ASN A 449 3.064 5.681 -1.756 1.00 15.00 H new ATOM 298 N ASN A 450 6.969 2.474 -2.052 1.00 15.00 N ATOM 299 CA ASN A 450 8.380 2.135 -2.245 1.00 15.00 C ATOM 300 C ASN A 450 9.255 3.385 -2.299 1.00 15.00 C ATOM 301 O ASN A 450 10.472 3.293 -2.449 1.00 15.00 O ATOM 302 CB ASN A 450 8.557 1.322 -3.534 1.00 15.00 C ATOM 303 CG ASN A 450 7.803 0.002 -3.513 1.00 15.00 C ATOM 304 OD1 ASN A 450 8.341 -1.030 -3.109 1.00 15.00 O ATOM 305 ND2 ASN A 450 6.553 0.023 -3.957 1.00 15.00 N ATOM 0 H ASN A 450 6.416 2.471 -2.909 1.00 15.00 H new ATOM 0 HA ASN A 450 8.696 1.537 -1.390 1.00 15.00 H new ATOM 0 HB2 ASN A 450 8.215 1.916 -4.381 1.00 15.00 H new ATOM 0 HB3 ASN A 450 9.618 1.126 -3.690 1.00 15.00 H new ATOM 0 HD21 ASN A 450 6.003 -0.836 -3.972 1.00 15.00 H new ATOM 0 HD22 ASN A 450 6.142 0.898 -4.283 1.00 15.00 H new ATOM 312 N ARG A 451 8.638 4.553 -2.171 1.00 15.00 N ATOM 313 CA ARG A 451 9.369 5.811 -2.254 1.00 15.00 C ATOM 314 C ARG A 451 9.465 6.486 -0.885 1.00 15.00 C ATOM 315 O ARG A 451 10.399 7.243 -0.619 1.00 15.00 O ATOM 316 CB ARG A 451 8.703 6.735 -3.284 1.00 15.00 C ATOM 317 CG ARG A 451 9.342 8.108 -3.411 1.00 15.00 C ATOM 318 CD ARG A 451 8.609 8.961 -4.430 1.00 15.00 C ATOM 319 NE ARG A 451 8.417 8.250 -5.694 1.00 15.00 N ATOM 320 CZ ARG A 451 8.785 8.719 -6.882 1.00 15.00 C ATOM 321 NH1 ARG A 451 9.364 9.911 -6.988 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 8.576 7.984 -7.967 1.00 15.00 N ATOM 0 H ARG A 451 7.636 4.655 -2.010 1.00 15.00 H new ATOM 0 HA ARG A 451 10.387 5.601 -2.582 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.726 6.247 -4.258 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.654 6.861 -3.015 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.334 8.607 -2.442 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.386 8.001 -3.706 1.00 15.00 H new ATOM 0 HD2 ARG A 451 7.640 9.256 -4.028 1.00 15.00 H new ATOM 0 HD3 ARG A 451 9.172 9.877 -4.610 1.00 15.00 H new ATOM 0 HE ARG A 451 7.971 7.333 -5.661 1.00 15.00 H new ATOM 0 HH11 ARG A 451 9.529 10.474 -6.153 1.00 15.00 H new ATOM 0 HH12 ARG A 451 9.643 10.263 -7.904 1.00 15.00 H new ATOM 0 HH21 ARG A 451 8.136 7.067 -7.885 1.00 15.00 H new ATOM 0 HH22 ARG A 451 8.855 8.336 -8.883 1.00 15.00 H new ATOM 336 N THR A 452 8.489 6.229 -0.027 1.00 15.00 N ATOM 337 CA THR A 452 8.507 6.766 1.325 1.00 15.00 C ATOM 338 C THR A 452 8.682 5.651 2.351 1.00 15.00 C ATOM 339 O THR A 452 8.771 5.907 3.552 1.00 15.00 O ATOM 340 CB THR A 452 7.217 7.556 1.630 1.00 15.00 C ATOM 341 OG1 THR A 452 6.067 6.720 1.452 1.00 15.00 O ATOM 342 CG2 THR A 452 7.097 8.772 0.724 1.00 15.00 C ATOM 0 H THR A 452 7.676 5.653 -0.243 1.00 15.00 H new ATOM 0 HA THR A 452 9.356 7.446 1.393 1.00 15.00 H new ATOM 0 HB THR A 452 7.268 7.890 2.666 1.00 15.00 H new ATOM 0 HG1 THR A 452 5.335 7.046 2.016 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.180 9.312 0.959 1.00 15.00 H new ATOM 0 HG22 THR A 452 7.954 9.428 0.880 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.072 8.449 -0.317 1.00 15.00 H new ATOM 350 N LEU A 453 8.731 4.410 1.855 1.00 15.00 N ATOM 351 CA LEU A 453 8.923 3.226 2.696 1.00 15.00 C ATOM 352 C LEU A 453 7.791 3.080 3.713 1.00 15.00 C ATOM 353 O LEU A 453 7.991 2.574 4.819 1.00 15.00 O ATOM 354 CB LEU A 453 10.282 3.278 3.411 1.00 15.00 C ATOM 355 CG LEU A 453 11.495 2.858 2.566 1.00 15.00 C ATOM 356 CD1 LEU A 453 11.742 3.831 1.421 1.00 15.00 C ATOM 357 CD2 LEU A 453 12.732 2.744 3.443 1.00 15.00 C ATOM 0 H LEU A 453 8.639 4.199 0.861 1.00 15.00 H new ATOM 0 HA LEU A 453 8.908 2.352 2.045 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.445 4.295 3.768 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.234 2.635 4.290 1.00 15.00 H new ATOM 0 HG LEU A 453 11.278 1.883 2.130 1.00 15.00 H new ATOM 0 HD11 LEU A 453 12.607 3.503 0.845 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.865 3.862 0.774 1.00 15.00 H new ATOM 0 HD13 LEU A 453 11.931 4.826 1.824 1.00 15.00 H new ATOM 0 HD21 LEU A 453 13.584 2.446 2.833 1.00 15.00 H new ATOM 0 HD22 LEU A 453 12.938 3.708 3.908 1.00 15.00 H new ATOM 0 HD23 LEU A 453 12.561 1.996 4.218 1.00 15.00 H new ATOM 369 N GLU A 454 6.591 3.472 3.306 1.00 15.00 N ATOM 370 CA GLU A 454 5.429 3.417 4.185 1.00 15.00 C ATOM 371 C GLU A 454 4.615 2.155 3.949 1.00 15.00 C ATOM 372 O GLU A 454 4.090 1.944 2.859 1.00 15.00 O ATOM 373 CB GLU A 454 4.525 4.628 3.973 1.00 15.00 C ATOM 374 CG GLU A 454 5.118 5.937 4.449 1.00 15.00 C ATOM 375 CD GLU A 454 4.164 7.092 4.249 1.00 15.00 C ATOM 376 OE1 GLU A 454 3.266 7.277 5.097 1.00 15.00 O1- ATOM 377 OE2 GLU A 454 4.294 7.808 3.234 1.00 15.00 O ATOM 0 H GLU A 454 6.396 3.832 2.372 1.00 15.00 H new ATOM 0 HA GLU A 454 5.806 3.416 5.208 1.00 15.00 H new ATOM 0 HB2 GLU A 454 4.293 4.712 2.911 1.00 15.00 H new ATOM 0 HB3 GLU A 454 3.582 4.459 4.493 1.00 15.00 H new ATOM 0 HG2 GLU A 454 5.375 5.857 5.505 1.00 15.00 H new ATOM 0 HG3 GLU A 454 6.045 6.134 3.910 1.00 15.00 H new ATOM 384 N SER A 455 4.520 1.316 4.966 1.00 15.00 N ATOM 385 CA SER A 455 3.632 0.168 4.925 1.00 15.00 C ATOM 386 C SER A 455 2.378 0.456 5.747 1.00 15.00 C ATOM 387 O SER A 455 2.439 0.557 6.972 1.00 15.00 O ATOM 388 CB SER A 455 4.357 -1.077 5.445 1.00 15.00 C ATOM 389 OG SER A 455 5.145 -0.768 6.587 1.00 15.00 O ATOM 0 H SER A 455 5.049 1.409 5.833 1.00 15.00 H new ATOM 0 HA SER A 455 3.332 -0.021 3.894 1.00 15.00 H new ATOM 0 HB2 SER A 455 3.628 -1.847 5.699 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.993 -1.486 4.660 1.00 15.00 H new ATOM 0 HG SER A 455 4.624 -0.211 7.203 1.00 15.00 H new ATOM 395 N THR A 456 1.250 0.622 5.072 1.00 15.00 N ATOM 396 CA THR A 456 0.010 0.972 5.743 1.00 15.00 C ATOM 397 C THR A 456 -1.079 -0.047 5.426 1.00 15.00 C ATOM 398 O THR A 456 -1.077 -0.660 4.358 1.00 15.00 O ATOM 399 CB THR A 456 -0.457 2.392 5.352 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.562 2.801 6.166 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.857 2.463 3.885 1.00 15.00 C ATOM 0 H THR A 456 1.169 0.520 4.060 1.00 15.00 H new ATOM 0 HA THR A 456 0.199 0.961 6.816 1.00 15.00 H new ATOM 0 HB THR A 456 0.384 3.066 5.515 1.00 15.00 H new ATOM 0 HG1 THR A 456 -1.844 3.703 5.906 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.180 3.476 3.645 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.003 2.197 3.262 1.00 15.00 H new ATOM 0 HG23 THR A 456 -1.675 1.767 3.697 1.00 15.00 H new ATOM 409 N TRP A 457 -1.994 -0.237 6.364 1.00 15.00 N ATOM 410 CA TRP A 457 -3.056 -1.222 6.209 1.00 15.00 C ATOM 411 C TRP A 457 -4.332 -0.568 5.690 1.00 15.00 C ATOM 412 O TRP A 457 -5.342 -1.236 5.463 1.00 15.00 O ATOM 413 CB TRP A 457 -3.315 -1.920 7.547 1.00 15.00 C ATOM 414 CG TRP A 457 -2.105 -2.628 8.078 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.205 -2.146 8.983 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.650 -3.939 7.720 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.223 -3.075 9.214 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.472 -4.185 8.450 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.125 -4.927 6.856 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.237 -5.377 8.339 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.420 -6.109 6.745 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.249 -6.325 7.482 1.00 15.00 C ATOM 0 H TRP A 457 -2.023 0.279 7.243 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.739 -1.965 5.477 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.648 -1.183 8.277 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.126 -2.638 7.426 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.258 -1.174 9.450 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.565 -2.959 9.851 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.028 -4.770 6.285 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 1.138 -5.547 8.909 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.778 -6.880 6.079 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.281 -7.259 7.371 1.00 15.00 H new ATOM 433 N GLU A 458 -4.271 0.742 5.496 1.00 15.00 N ATOM 434 CA GLU A 458 -5.410 1.509 5.009 1.00 15.00 C ATOM 435 C GLU A 458 -5.185 1.913 3.557 1.00 15.00 C ATOM 436 O GLU A 458 -4.079 2.306 3.186 1.00 15.00 O ATOM 437 CB GLU A 458 -5.596 2.763 5.868 1.00 15.00 C ATOM 438 CG GLU A 458 -5.885 2.475 7.333 1.00 15.00 C ATOM 439 CD GLU A 458 -7.227 1.810 7.547 1.00 15.00 C ATOM 440 OE1 GLU A 458 -8.254 2.524 7.564 1.00 15.00 O ATOM 441 OE2 GLU A 458 -7.268 0.576 7.721 1.00 15.00 O1- ATOM 0 H GLU A 458 -3.436 1.301 5.670 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.306 0.891 5.073 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -4.696 3.374 5.800 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.414 3.354 5.457 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.099 1.835 7.734 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -5.854 3.408 7.895 1.00 15.00 H new ATOM 448 N LYS A 459 -6.233 1.829 2.742 1.00 15.00 N ATOM 449 CA LYS A 459 -6.144 2.238 1.344 1.00 15.00 C ATOM 450 C LYS A 459 -5.982 3.754 1.243 1.00 15.00 C ATOM 451 O LYS A 459 -6.840 4.506 1.709 1.00 15.00 O ATOM 452 CB LYS A 459 -7.392 1.801 0.570 1.00 15.00 C ATOM 453 CG LYS A 459 -7.361 2.189 -0.902 1.00 15.00 C ATOM 454 CD LYS A 459 -8.729 2.049 -1.546 1.00 15.00 C ATOM 455 CE LYS A 459 -9.177 0.602 -1.618 1.00 15.00 C ATOM 456 NZ LYS A 459 -8.398 -0.174 -2.615 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.150 1.483 3.024 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.271 1.754 0.905 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.499 0.719 0.650 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.272 2.244 1.036 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.016 3.218 -1.000 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.644 1.560 -1.430 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.458 2.627 -0.978 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.702 2.471 -2.551 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -9.070 0.141 -0.636 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -10.235 0.563 -1.875 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.921 -1.036 -2.869 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -8.250 0.405 -3.466 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -7.477 -0.435 -2.209 1.00 15.00 H new ATOM 470 N PRO A 460 -4.878 4.212 0.638 1.00 15.00 N ATOM 471 CA PRO A 460 -4.600 5.639 0.462 1.00 15.00 C ATOM 472 C PRO A 460 -5.579 6.300 -0.505 1.00 15.00 C ATOM 473 O PRO A 460 -6.124 5.653 -1.404 1.00 15.00 O ATOM 474 CB PRO A 460 -3.178 5.671 -0.113 1.00 15.00 C ATOM 475 CG PRO A 460 -2.628 4.302 0.105 1.00 15.00 C ATOM 476 CD PRO A 460 -3.808 3.381 0.078 1.00 15.00 C ATOM 0 HA PRO A 460 -4.701 6.188 1.398 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.189 5.925 -1.173 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.569 6.423 0.389 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.910 4.041 -0.672 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.104 4.238 1.058 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.040 3.050 -0.934 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.636 2.485 0.675 1.00 15.00 H new ATOM 484 N GLN A 461 -5.762 7.602 -0.334 1.00 15.00 N ATOM 485 CA GLN A 461 -6.719 8.375 -1.119 1.00 15.00 C ATOM 486 C GLN A 461 -6.361 8.398 -2.612 1.00 15.00 C ATOM 487 O GLN A 461 -7.187 8.764 -3.451 1.00 15.00 O ATOM 488 CB GLN A 461 -6.789 9.805 -0.570 1.00 15.00 C ATOM 489 CG GLN A 461 -7.841 10.686 -1.230 1.00 15.00 C ATOM 490 CD GLN A 461 -9.263 10.238 -0.945 1.00 15.00 C ATOM 491 OE1 GLN A 461 -9.537 9.052 -0.760 1.00 15.00 O ATOM 492 NE2 GLN A 461 -10.182 11.186 -0.916 1.00 15.00 N ATOM 0 H GLN A 461 -5.251 8.155 0.354 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.692 7.893 -1.031 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.991 9.760 0.500 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.813 10.275 -0.691 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.714 11.712 -0.885 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.678 10.690 -2.308 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -9.917 12.158 -1.074 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -11.157 10.946 -0.736 1.00 15.00 H new ATOM 501 N GLU A 462 -5.137 8.011 -2.945 1.00 15.00 N ATOM 502 CA GLU A 462 -4.688 8.046 -4.329 1.00 15.00 C ATOM 503 C GLU A 462 -5.028 6.746 -5.063 1.00 15.00 C ATOM 504 O GLU A 462 -4.890 6.660 -6.283 1.00 15.00 O ATOM 505 CB GLU A 462 -3.186 8.374 -4.410 1.00 15.00 C ATOM 506 CG GLU A 462 -2.301 7.580 -3.458 1.00 15.00 C ATOM 507 CD GLU A 462 -2.144 6.135 -3.865 1.00 15.00 C ATOM 508 OE1 GLU A 462 -1.476 5.878 -4.887 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -2.691 5.263 -3.167 1.00 15.00 O ATOM 0 H GLU A 462 -4.442 7.671 -2.280 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.227 8.846 -4.837 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.846 8.198 -5.430 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -3.050 9.436 -4.207 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.317 8.047 -3.410 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.724 7.625 -2.455 1.00 15.00 H new ATOM 516 N LEU A 463 -5.481 5.745 -4.317 1.00 15.00 N ATOM 517 CA LEU A 463 -5.911 4.479 -4.905 1.00 15.00 C ATOM 518 C LEU A 463 -7.322 4.120 -4.453 1.00 15.00 C ATOM 519 O LEU A 463 -7.794 3.003 -4.678 1.00 15.00 O ATOM 520 CB LEU A 463 -4.940 3.352 -4.537 1.00 15.00 C ATOM 521 CG LEU A 463 -3.644 3.319 -5.348 1.00 15.00 C ATOM 522 CD1 LEU A 463 -2.705 2.247 -4.822 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.948 3.076 -6.816 1.00 15.00 C ATOM 0 H LEU A 463 -5.561 5.785 -3.301 1.00 15.00 H new ATOM 0 HA LEU A 463 -5.914 4.599 -5.988 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.687 3.443 -3.481 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.452 2.398 -4.661 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.152 4.286 -5.245 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -1.790 2.242 -5.414 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -2.462 2.456 -3.780 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.189 1.273 -4.894 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -3.017 3.055 -7.382 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.462 2.121 -6.928 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -4.584 3.877 -7.193 1.00 15.00 H new ATOM 535 N LYS A 464 -8.001 5.077 -3.837 1.00 15.00 N ATOM 536 CA LYS A 464 -9.360 4.860 -3.370 1.00 15.00 C ATOM 537 C LYS A 464 -10.357 5.305 -4.430 1.00 15.00 C ATOM 538 O LYS A 464 -10.817 4.451 -5.212 1.00 15.00 O ATOM 539 CB LYS A 464 -9.625 5.628 -2.076 1.00 15.00 C ATOM 540 CG LYS A 464 -10.943 5.250 -1.418 1.00 15.00 C ATOM 541 CD LYS A 464 -11.506 6.384 -0.578 1.00 15.00 C ATOM 542 CE LYS A 464 -12.299 7.376 -1.426 1.00 15.00 C ATOM 543 NZ LYS A 464 -11.463 8.056 -2.453 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.671 6.515 -4.477 1.00 15.00 O ATOM 0 H LYS A 464 -7.633 6.010 -3.650 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.480 3.794 -3.177 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.810 5.442 -1.377 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.625 6.697 -2.288 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.666 4.974 -2.186 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.796 4.372 -0.789 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -12.150 5.975 0.201 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -10.690 6.905 -0.076 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -13.117 6.852 -1.920 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -12.748 8.126 -0.775 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -11.972 8.884 -2.822 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -10.567 8.363 -2.023 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -11.265 7.396 -3.232 1.00 15.00 H new TER 558 LYS A 464