USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 261 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 Single : A 433 SER OG : rot 27:sc= 0.13 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0275) USER MOD Single : A 440 THR OG1 : rot -10:sc= 0.631 USER MOD Single : A 444 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.907) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 TYR OH : rot 180:sc= -1.89! USER MOD Single : A 447 TYR OH : rot -142:sc= 0.761 USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 449 ASN : amide:sc= -8.67! C(o=-8.7!,f=-15!) USER MOD Single : A 450 ASN : amide:sc= 1.07 K(o=1.1,f=-0.25) USER MOD Single : A 452 THR OG1 : rot -28:sc= 0.934 USER MOD Single : A 455 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 456 THR OG1 : rot -160:sc= -1.74! USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 LYS NZ :NH3+ -145:sc= 1.6 (180deg=0.366) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 433 -2.341 11.852 -3.271 1.00 15.00 N ATOM 2 CA SER A 433 -2.404 10.851 -2.185 1.00 15.00 C ATOM 3 C SER A 433 -1.168 9.960 -2.221 1.00 15.00 C ATOM 4 O SER A 433 -0.993 9.165 -3.146 1.00 15.00 O ATOM 5 CB SER A 433 -3.668 10.005 -2.335 1.00 15.00 C ATOM 6 OG SER A 433 -4.828 10.824 -2.386 1.00 15.00 O ATOM 0 HA SER A 433 -2.434 11.367 -1.226 1.00 15.00 H new ATOM 0 HB2 SER A 433 -3.602 9.405 -3.243 1.00 15.00 H new ATOM 0 HB3 SER A 433 -3.746 9.310 -1.499 1.00 15.00 H new ATOM 0 HG SER A 433 -4.589 11.709 -2.733 1.00 15.00 H new ATOM 12 N GLU A 434 -0.313 10.100 -1.217 1.00 15.00 N ATOM 13 CA GLU A 434 0.975 9.419 -1.208 1.00 15.00 C ATOM 14 C GLU A 434 0.846 7.990 -0.686 1.00 15.00 C ATOM 15 O GLU A 434 1.035 7.731 0.501 1.00 15.00 O ATOM 16 CB GLU A 434 1.978 10.207 -0.365 1.00 15.00 C ATOM 17 CG GLU A 434 3.383 9.630 -0.364 1.00 15.00 C ATOM 18 CD GLU A 434 4.323 10.427 0.511 1.00 15.00 C ATOM 19 OE1 GLU A 434 4.736 11.527 0.093 1.00 15.00 O ATOM 20 OE2 GLU A 434 4.646 9.963 1.622 1.00 15.00 O1- ATOM 0 H GLU A 434 -0.488 10.680 -0.397 1.00 15.00 H new ATOM 0 HA GLU A 434 1.337 9.365 -2.235 1.00 15.00 H new ATOM 0 HB2 GLU A 434 2.019 11.232 -0.734 1.00 15.00 H new ATOM 0 HB3 GLU A 434 1.616 10.252 0.662 1.00 15.00 H new ATOM 0 HG2 GLU A 434 3.351 8.598 -0.015 1.00 15.00 H new ATOM 0 HG3 GLU A 434 3.767 9.610 -1.384 1.00 15.00 H new ATOM 27 N TRP A 435 0.477 7.078 -1.573 1.00 15.00 N ATOM 28 CA TRP A 435 0.342 5.665 -1.228 1.00 15.00 C ATOM 29 C TRP A 435 0.785 4.820 -2.423 1.00 15.00 C ATOM 30 O TRP A 435 0.205 4.923 -3.504 1.00 15.00 O ATOM 31 CB TRP A 435 -1.116 5.330 -0.834 1.00 15.00 C ATOM 32 CG TRP A 435 -1.642 6.181 0.289 1.00 15.00 C ATOM 33 CD1 TRP A 435 -2.398 7.313 0.172 1.00 15.00 C ATOM 34 CD2 TRP A 435 -1.420 5.993 1.692 1.00 15.00 C ATOM 35 NE1 TRP A 435 -2.653 7.842 1.415 1.00 15.00 N ATOM 36 CE2 TRP A 435 -2.059 7.051 2.365 1.00 15.00 C ATOM 37 CE3 TRP A 435 -0.740 5.033 2.445 1.00 15.00 C ATOM 38 CZ2 TRP A 435 -2.032 7.177 3.756 1.00 15.00 C ATOM 39 CZ3 TRP A 435 -0.708 5.163 3.822 1.00 15.00 C ATOM 40 CH2 TRP A 435 -1.347 6.226 4.464 1.00 15.00 C ATOM 0 H TRP A 435 0.263 7.291 -2.547 1.00 15.00 H new ATOM 0 HA TRP A 435 0.974 5.442 -0.368 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -1.758 5.455 -1.706 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -1.174 4.281 -0.543 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -2.745 7.731 -0.761 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -3.196 8.686 1.601 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -0.247 4.203 1.960 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -2.533 7.994 4.254 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -0.179 4.429 4.411 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -1.300 6.299 5.540 1.00 15.00 H new ATOM 51 N THR A 436 1.819 4.004 -2.241 1.00 15.00 N ATOM 52 CA THR A 436 2.348 3.211 -3.340 1.00 15.00 C ATOM 53 C THR A 436 1.661 1.857 -3.431 1.00 15.00 C ATOM 54 O THR A 436 1.972 0.930 -2.674 1.00 15.00 O ATOM 55 CB THR A 436 3.873 2.990 -3.222 1.00 15.00 C ATOM 56 OG1 THR A 436 4.561 4.247 -3.329 1.00 15.00 O ATOM 57 CG2 THR A 436 4.375 2.027 -4.300 1.00 15.00 C ATOM 0 H THR A 436 2.302 3.877 -1.351 1.00 15.00 H new ATOM 0 HA THR A 436 2.147 3.784 -4.245 1.00 15.00 H new ATOM 0 HB THR A 436 4.078 2.547 -2.247 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.527 4.099 -3.252 1.00 15.00 H new ATOM 0 HG21 THR A 436 5.451 1.890 -4.193 1.00 15.00 H new ATOM 0 HG22 THR A 436 3.874 1.065 -4.190 1.00 15.00 H new ATOM 0 HG23 THR A 436 4.158 2.439 -5.286 1.00 15.00 H new ATOM 65 N GLU A 437 0.722 1.765 -4.362 1.00 15.00 N ATOM 66 CA GLU A 437 0.103 0.501 -4.708 1.00 15.00 C ATOM 67 C GLU A 437 0.913 -0.144 -5.817 1.00 15.00 C ATOM 68 O GLU A 437 0.745 0.178 -6.995 1.00 15.00 O ATOM 69 CB GLU A 437 -1.348 0.701 -5.172 1.00 15.00 C ATOM 70 CG GLU A 437 -2.020 -0.578 -5.654 1.00 15.00 C ATOM 71 CD GLU A 437 -3.371 -0.331 -6.299 1.00 15.00 C ATOM 72 OE1 GLU A 437 -3.410 -0.052 -7.518 1.00 15.00 O1- ATOM 73 OE2 GLU A 437 -4.396 -0.422 -5.594 1.00 15.00 O ATOM 0 H GLU A 437 0.372 2.562 -4.894 1.00 15.00 H new ATOM 0 HA GLU A 437 0.085 -0.140 -3.826 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -1.929 1.118 -4.349 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -1.364 1.435 -5.978 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -1.367 -1.077 -6.370 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.145 -1.256 -4.810 1.00 15.00 H new ATOM 80 N ARG A 438 1.843 -0.993 -5.436 1.00 15.00 N ATOM 81 CA ARG A 438 2.677 -1.658 -6.409 1.00 15.00 C ATOM 82 C ARG A 438 2.327 -3.127 -6.446 1.00 15.00 C ATOM 83 O ARG A 438 2.523 -3.857 -5.472 1.00 15.00 O ATOM 84 CB ARG A 438 4.155 -1.458 -6.088 1.00 15.00 C ATOM 85 CG ARG A 438 5.065 -1.714 -7.277 1.00 15.00 C ATOM 86 CD ARG A 438 6.507 -1.388 -6.945 1.00 15.00 C ATOM 87 NE ARG A 438 7.348 -1.330 -8.137 1.00 15.00 N ATOM 88 CZ ARG A 438 8.609 -0.907 -8.132 1.00 15.00 C ATOM 89 NH1 ARG A 438 9.209 -0.621 -6.984 1.00 15.00 N1+ ATOM 90 NH2 ARG A 438 9.273 -0.795 -9.273 1.00 15.00 N ATOM 0 H ARG A 438 2.039 -1.237 -4.465 1.00 15.00 H new ATOM 0 HA ARG A 438 2.495 -1.223 -7.392 1.00 15.00 H new ATOM 0 HB2 ARG A 438 4.309 -0.439 -5.734 1.00 15.00 H new ATOM 0 HB3 ARG A 438 4.437 -2.125 -5.273 1.00 15.00 H new ATOM 0 HG2 ARG A 438 4.986 -2.758 -7.580 1.00 15.00 H new ATOM 0 HG3 ARG A 438 4.739 -1.111 -8.124 1.00 15.00 H new ATOM 0 HD2 ARG A 438 6.551 -0.431 -6.425 1.00 15.00 H new ATOM 0 HD3 ARG A 438 6.900 -2.141 -6.262 1.00 15.00 H new ATOM 0 HE ARG A 438 6.945 -1.631 -9.025 1.00 15.00 H new ATOM 0 HH11 ARG A 438 8.703 -0.725 -6.104 1.00 15.00 H new ATOM 0 HH12 ARG A 438 10.176 -0.297 -6.981 1.00 15.00 H new ATOM 0 HH21 ARG A 438 8.817 -1.033 -10.154 1.00 15.00 H new ATOM 0 HH22 ARG A 438 10.240 -0.471 -9.271 1.00 15.00 H new ATOM 104 N LYS A 439 1.772 -3.550 -7.561 1.00 15.00 N ATOM 105 CA LYS A 439 1.297 -4.906 -7.698 1.00 15.00 C ATOM 106 C LYS A 439 2.370 -5.814 -8.278 1.00 15.00 C ATOM 107 O LYS A 439 2.725 -5.715 -9.450 1.00 15.00 O ATOM 108 CB LYS A 439 0.008 -4.942 -8.528 1.00 15.00 C ATOM 109 CG LYS A 439 0.063 -4.113 -9.804 1.00 15.00 C ATOM 110 CD LYS A 439 -1.317 -3.964 -10.424 1.00 15.00 C ATOM 111 CE LYS A 439 -1.888 -5.303 -10.862 1.00 15.00 C ATOM 112 NZ LYS A 439 -1.176 -5.853 -12.045 1.00 15.00 N1+ ATOM 0 H LYS A 439 1.639 -2.969 -8.389 1.00 15.00 H new ATOM 0 HA LYS A 439 1.064 -5.289 -6.704 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -0.213 -5.977 -8.790 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -0.817 -4.585 -7.912 1.00 15.00 H new ATOM 0 HG2 LYS A 439 0.473 -3.128 -9.583 1.00 15.00 H new ATOM 0 HG3 LYS A 439 0.736 -4.586 -10.519 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -1.991 -3.500 -9.704 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -1.259 -3.295 -11.283 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -1.822 -6.012 -10.037 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -2.946 -5.186 -11.098 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -1.650 -6.723 -12.362 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -1.188 -5.153 -12.814 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -0.192 -6.069 -11.788 1.00 15.00 H new ATOM 126 N THR A 440 2.907 -6.675 -7.431 1.00 15.00 N ATOM 127 CA THR A 440 3.893 -7.656 -7.865 1.00 15.00 C ATOM 128 C THR A 440 3.215 -8.947 -8.314 1.00 15.00 C ATOM 129 O THR A 440 2.212 -9.379 -7.728 1.00 15.00 O ATOM 130 CB THR A 440 4.908 -7.978 -6.748 1.00 15.00 C ATOM 131 OG1 THR A 440 4.228 -8.410 -5.562 1.00 15.00 O ATOM 132 CG2 THR A 440 5.765 -6.765 -6.428 1.00 15.00 C ATOM 0 H THR A 440 2.678 -6.717 -6.438 1.00 15.00 H new ATOM 0 HA THR A 440 4.429 -7.215 -8.706 1.00 15.00 H new ATOM 0 HB THR A 440 5.554 -8.780 -7.105 1.00 15.00 H new ATOM 0 HG1 THR A 440 3.266 -8.255 -5.662 1.00 15.00 H new ATOM 0 HG21 THR A 440 6.472 -7.017 -5.638 1.00 15.00 H new ATOM 0 HG22 THR A 440 6.312 -6.460 -7.320 1.00 15.00 H new ATOM 0 HG23 THR A 440 5.127 -5.946 -6.096 1.00 15.00 H new ATOM 140 N ALA A 441 3.790 -9.573 -9.338 1.00 15.00 N ATOM 141 CA ALA A 441 3.220 -10.773 -9.941 1.00 15.00 C ATOM 142 C ALA A 441 3.446 -11.994 -9.059 1.00 15.00 C ATOM 143 O ALA A 441 3.188 -13.128 -9.465 1.00 15.00 O ATOM 144 CB ALA A 441 3.813 -10.999 -11.323 1.00 15.00 C ATOM 0 H ALA A 441 4.660 -9.264 -9.771 1.00 15.00 H new ATOM 0 HA ALA A 441 2.144 -10.625 -10.038 1.00 15.00 H new ATOM 0 HB1 ALA A 441 3.380 -11.897 -11.762 1.00 15.00 H new ATOM 0 HB2 ALA A 441 3.592 -10.141 -11.958 1.00 15.00 H new ATOM 0 HB3 ALA A 441 4.893 -11.120 -11.240 1.00 15.00 H new ATOM 150 N ASP A 442 3.919 -11.750 -7.844 1.00 15.00 N ATOM 151 CA ASP A 442 4.095 -12.803 -6.855 1.00 15.00 C ATOM 152 C ASP A 442 2.745 -13.150 -6.229 1.00 15.00 C ATOM 153 O ASP A 442 2.641 -14.013 -5.358 1.00 15.00 O ATOM 154 CB ASP A 442 5.087 -12.342 -5.781 1.00 15.00 C ATOM 155 CG ASP A 442 5.518 -13.459 -4.852 1.00 15.00 C ATOM 156 OD1 ASP A 442 6.272 -14.350 -5.295 1.00 15.00 O1- ATOM 157 OD2 ASP A 442 5.120 -13.446 -3.671 1.00 15.00 O ATOM 0 H ASP A 442 4.190 -10.822 -7.518 1.00 15.00 H new ATOM 0 HA ASP A 442 4.495 -13.695 -7.337 1.00 15.00 H new ATOM 0 HB2 ASP A 442 5.968 -11.920 -6.265 1.00 15.00 H new ATOM 0 HB3 ASP A 442 4.633 -11.544 -5.194 1.00 15.00 H new ATOM 162 N GLY A 443 1.706 -12.461 -6.691 1.00 15.00 N ATOM 163 CA GLY A 443 0.362 -12.713 -6.211 1.00 15.00 C ATOM 164 C GLY A 443 0.021 -11.855 -5.015 1.00 15.00 C ATOM 165 O GLY A 443 -0.826 -12.219 -4.197 1.00 15.00 O ATOM 0 H GLY A 443 1.774 -11.727 -7.396 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -0.352 -12.520 -7.012 1.00 15.00 H new ATOM 0 HA3 GLY A 443 0.263 -13.765 -5.943 1.00 15.00 H new ATOM 169 N LYS A 444 0.671 -10.705 -4.914 1.00 15.00 N ATOM 170 CA LYS A 444 0.499 -9.837 -3.761 1.00 15.00 C ATOM 171 C LYS A 444 0.697 -8.375 -4.142 1.00 15.00 C ATOM 172 O LYS A 444 1.651 -8.024 -4.843 1.00 15.00 O ATOM 173 CB LYS A 444 1.478 -10.237 -2.650 1.00 15.00 C ATOM 174 CG LYS A 444 2.889 -10.515 -3.146 1.00 15.00 C ATOM 175 CD LYS A 444 3.856 -10.748 -1.996 1.00 15.00 C ATOM 176 CE LYS A 444 3.409 -11.884 -1.084 1.00 15.00 C ATOM 177 NZ LYS A 444 3.340 -13.192 -1.792 1.00 15.00 N1+ ATOM 0 H LYS A 444 1.321 -10.352 -5.616 1.00 15.00 H new ATOM 0 HA LYS A 444 -0.521 -9.954 -3.394 1.00 15.00 H new ATOM 0 HB2 LYS A 444 1.514 -9.441 -1.907 1.00 15.00 H new ATOM 0 HB3 LYS A 444 1.098 -11.126 -2.146 1.00 15.00 H new ATOM 0 HG2 LYS A 444 2.880 -11.390 -3.796 1.00 15.00 H new ATOM 0 HG3 LYS A 444 3.235 -9.674 -3.747 1.00 15.00 H new ATOM 0 HD2 LYS A 444 4.845 -10.974 -2.396 1.00 15.00 H new ATOM 0 HD3 LYS A 444 3.950 -9.832 -1.412 1.00 15.00 H new ATOM 0 HE2 LYS A 444 4.100 -11.965 -0.245 1.00 15.00 H new ATOM 0 HE3 LYS A 444 2.429 -11.648 -0.668 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 3.198 -13.955 -1.099 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 2.546 -13.182 -2.463 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 4.228 -13.354 -2.309 1.00 15.00 H new ATOM 191 N THR A 445 -0.208 -7.534 -3.680 1.00 15.00 N ATOM 192 CA THR A 445 -0.100 -6.107 -3.899 1.00 15.00 C ATOM 193 C THR A 445 0.329 -5.425 -2.616 1.00 15.00 C ATOM 194 O THR A 445 -0.374 -5.495 -1.607 1.00 15.00 O ATOM 195 CB THR A 445 -1.438 -5.503 -4.366 1.00 15.00 C ATOM 196 OG1 THR A 445 -2.068 -6.379 -5.315 1.00 15.00 O ATOM 197 CG2 THR A 445 -1.221 -4.141 -5.011 1.00 15.00 C ATOM 0 H THR A 445 -1.030 -7.818 -3.148 1.00 15.00 H new ATOM 0 HA THR A 445 0.642 -5.946 -4.681 1.00 15.00 H new ATOM 0 HB THR A 445 -2.079 -5.383 -3.492 1.00 15.00 H new ATOM 0 HG1 THR A 445 -2.919 -5.989 -5.606 1.00 15.00 H new ATOM 0 HG21 THR A 445 -2.180 -3.734 -5.333 1.00 15.00 H new ATOM 0 HG22 THR A 445 -0.764 -3.465 -4.288 1.00 15.00 H new ATOM 0 HG23 THR A 445 -0.564 -4.248 -5.874 1.00 15.00 H new ATOM 205 N TYR A 446 1.488 -4.786 -2.635 1.00 15.00 N ATOM 206 CA TYR A 446 1.970 -4.130 -1.442 1.00 15.00 C ATOM 207 C TYR A 446 1.818 -2.637 -1.553 1.00 15.00 C ATOM 208 O TYR A 446 2.259 -2.017 -2.520 1.00 15.00 O ATOM 209 CB TYR A 446 3.420 -4.499 -1.125 1.00 15.00 C ATOM 210 CG TYR A 446 4.502 -3.887 -1.994 1.00 15.00 C ATOM 211 CD1 TYR A 446 4.731 -4.325 -3.294 1.00 15.00 C ATOM 212 CD2 TYR A 446 5.332 -2.893 -1.485 1.00 15.00 C ATOM 213 CE1 TYR A 446 5.754 -3.787 -4.057 1.00 15.00 C ATOM 214 CE2 TYR A 446 6.348 -2.348 -2.244 1.00 15.00 C ATOM 215 CZ TYR A 446 6.556 -2.798 -3.528 1.00 15.00 C ATOM 216 OH TYR A 446 7.582 -2.272 -4.282 1.00 15.00 O ATOM 0 H TYR A 446 2.098 -4.711 -3.449 1.00 15.00 H new ATOM 0 HA TYR A 446 1.356 -4.485 -0.614 1.00 15.00 H new ATOM 0 HB2 TYR A 446 3.620 -4.219 -0.091 1.00 15.00 H new ATOM 0 HB3 TYR A 446 3.513 -5.583 -1.186 1.00 15.00 H new ATOM 0 HD1 TYR A 446 4.102 -5.096 -3.715 1.00 15.00 H new ATOM 0 HD2 TYR A 446 5.178 -2.541 -0.476 1.00 15.00 H new ATOM 0 HE1 TYR A 446 5.923 -4.141 -5.063 1.00 15.00 H new ATOM 0 HE2 TYR A 446 6.977 -1.572 -1.832 1.00 15.00 H new ATOM 0 HH TYR A 446 8.050 -1.585 -3.763 1.00 15.00 H new ATOM 226 N TYR A 447 1.173 -2.070 -0.561 1.00 15.00 N ATOM 227 CA TYR A 447 1.072 -0.642 -0.469 1.00 15.00 C ATOM 228 C TYR A 447 2.125 -0.140 0.503 1.00 15.00 C ATOM 229 O TYR A 447 1.887 -0.064 1.702 1.00 15.00 O ATOM 230 CB TYR A 447 -0.322 -0.207 -0.001 1.00 15.00 C ATOM 231 CG TYR A 447 -1.468 -0.622 -0.906 1.00 15.00 C ATOM 232 CD1 TYR A 447 -1.785 -1.964 -1.114 1.00 15.00 C ATOM 233 CD2 TYR A 447 -2.249 0.336 -1.538 1.00 15.00 C ATOM 234 CE1 TYR A 447 -2.838 -2.330 -1.924 1.00 15.00 C ATOM 235 CE2 TYR A 447 -3.307 -0.025 -2.348 1.00 15.00 C ATOM 236 CZ TYR A 447 -3.597 -1.360 -2.537 1.00 15.00 C ATOM 237 OH TYR A 447 -4.650 -1.722 -3.342 1.00 15.00 O ATOM 0 H TYR A 447 0.712 -2.581 0.192 1.00 15.00 H new ATOM 0 HA TYR A 447 1.235 -0.214 -1.458 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -0.498 -0.618 0.993 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.332 0.879 0.097 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -1.195 -2.730 -0.632 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -2.025 1.383 -1.393 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -3.067 -3.374 -2.077 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.904 0.734 -2.831 1.00 15.00 H new ATOM 0 HH TYR A 447 -4.696 -1.117 -4.112 1.00 15.00 H new ATOM 247 N TYR A 448 3.304 0.162 -0.008 1.00 15.00 N ATOM 248 CA TYR A 448 4.344 0.756 0.821 1.00 15.00 C ATOM 249 C TYR A 448 4.219 2.268 0.798 1.00 15.00 C ATOM 250 O TYR A 448 4.233 2.904 -0.257 1.00 15.00 O ATOM 251 CB TYR A 448 5.737 0.316 0.352 1.00 15.00 C ATOM 252 CG TYR A 448 6.884 1.120 0.945 1.00 15.00 C ATOM 253 CD1 TYR A 448 6.958 1.391 2.311 1.00 15.00 C ATOM 254 CD2 TYR A 448 7.893 1.608 0.125 1.00 15.00 C ATOM 255 CE1 TYR A 448 8.010 2.126 2.837 1.00 15.00 C ATOM 256 CE2 TYR A 448 8.943 2.338 0.644 1.00 15.00 C ATOM 257 CZ TYR A 448 8.998 2.596 1.996 1.00 15.00 C ATOM 258 OH TYR A 448 10.045 3.321 2.510 1.00 15.00 O ATOM 0 H TYR A 448 3.567 0.009 -0.982 1.00 15.00 H new ATOM 0 HA TYR A 448 4.216 0.408 1.846 1.00 15.00 H new ATOM 0 HB2 TYR A 448 5.877 -0.735 0.606 1.00 15.00 H new ATOM 0 HB3 TYR A 448 5.781 0.390 -0.735 1.00 15.00 H new ATOM 0 HD1 TYR A 448 6.185 1.023 2.969 1.00 15.00 H new ATOM 0 HD2 TYR A 448 7.855 1.413 -0.937 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.056 2.329 3.897 1.00 15.00 H new ATOM 0 HE2 TYR A 448 9.720 2.706 -0.009 1.00 15.00 H new ATOM 0 HH TYR A 448 10.654 3.576 1.785 1.00 15.00 H new ATOM 268 N ASN A 449 4.077 2.823 1.983 1.00 15.00 N ATOM 269 CA ASN A 449 3.786 4.229 2.145 1.00 15.00 C ATOM 270 C ASN A 449 4.869 4.951 2.937 1.00 15.00 C ATOM 271 O ASN A 449 5.351 4.450 3.953 1.00 15.00 O ATOM 272 CB ASN A 449 2.443 4.374 2.845 1.00 15.00 C ATOM 273 CG ASN A 449 2.306 5.699 3.552 1.00 15.00 C ATOM 274 OD1 ASN A 449 2.589 5.807 4.742 1.00 15.00 O ATOM 275 ND2 ASN A 449 1.886 6.721 2.827 1.00 15.00 N ATOM 0 H ASN A 449 4.160 2.310 2.861 1.00 15.00 H new ATOM 0 HA ASN A 449 3.752 4.689 1.157 1.00 15.00 H new ATOM 0 HB2 ASN A 449 1.642 4.270 2.114 1.00 15.00 H new ATOM 0 HB3 ASN A 449 2.323 3.566 3.566 1.00 15.00 H new ATOM 0 HD21 ASN A 449 1.787 7.642 3.254 1.00 15.00 H new ATOM 0 HD22 ASN A 449 1.661 6.589 1.841 1.00 15.00 H new ATOM 282 N ASN A 450 5.187 6.162 2.491 1.00 15.00 N ATOM 283 CA ASN A 450 6.227 6.979 3.103 1.00 15.00 C ATOM 284 C ASN A 450 5.643 7.896 4.182 1.00 15.00 C ATOM 285 O ASN A 450 6.373 8.480 4.983 1.00 15.00 O ATOM 286 CB ASN A 450 6.944 7.786 2.006 1.00 15.00 C ATOM 287 CG ASN A 450 7.773 8.943 2.530 1.00 15.00 C ATOM 288 OD1 ASN A 450 8.940 8.779 2.894 1.00 15.00 O ATOM 289 ND2 ASN A 450 7.184 10.127 2.550 1.00 15.00 N ATOM 0 H ASN A 450 4.730 6.604 1.694 1.00 15.00 H new ATOM 0 HA ASN A 450 6.952 6.331 3.596 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.592 7.115 1.441 1.00 15.00 H new ATOM 0 HB3 ASN A 450 6.200 8.172 1.309 1.00 15.00 H new ATOM 0 HD21 ASN A 450 7.697 10.946 2.875 1.00 15.00 H new ATOM 0 HD22 ASN A 450 6.217 10.221 2.240 1.00 15.00 H new ATOM 296 N ARG A 451 4.317 8.008 4.212 1.00 15.00 N ATOM 297 CA ARG A 451 3.649 8.822 5.229 1.00 15.00 C ATOM 298 C ARG A 451 3.954 8.327 6.634 1.00 15.00 C ATOM 299 O ARG A 451 4.267 9.115 7.521 1.00 15.00 O ATOM 300 CB ARG A 451 2.138 8.903 5.004 1.00 15.00 C ATOM 301 CG ARG A 451 1.748 10.072 4.115 1.00 15.00 C ATOM 302 CD ARG A 451 2.294 11.371 4.687 1.00 15.00 C ATOM 303 NE ARG A 451 2.063 12.518 3.815 1.00 15.00 N ATOM 304 CZ ARG A 451 2.787 13.635 3.862 1.00 15.00 C ATOM 305 NH1 ARG A 451 3.772 13.756 4.746 1.00 15.00 N1+ ATOM 306 NH2 ARG A 451 2.520 14.634 3.035 1.00 15.00 N ATOM 0 H ARG A 451 3.688 7.551 3.552 1.00 15.00 H new ATOM 0 HA ARG A 451 4.051 9.830 5.129 1.00 15.00 H new ATOM 0 HB2 ARG A 451 1.790 7.974 4.552 1.00 15.00 H new ATOM 0 HB3 ARG A 451 1.634 8.998 5.966 1.00 15.00 H new ATOM 0 HG2 ARG A 451 2.136 9.918 3.108 1.00 15.00 H new ATOM 0 HG3 ARG A 451 0.663 10.130 4.033 1.00 15.00 H new ATOM 0 HD2 ARG A 451 1.831 11.558 5.656 1.00 15.00 H new ATOM 0 HD3 ARG A 451 3.365 11.264 4.861 1.00 15.00 H new ATOM 0 HE ARG A 451 1.307 12.461 3.133 1.00 15.00 H new ATOM 0 HH11 ARG A 451 3.975 12.992 5.391 1.00 15.00 H new ATOM 0 HH12 ARG A 451 4.325 14.613 4.780 1.00 15.00 H new ATOM 0 HH21 ARG A 451 1.759 14.549 2.361 1.00 15.00 H new ATOM 0 HH22 ARG A 451 3.075 15.489 3.072 1.00 15.00 H new ATOM 320 N THR A 452 3.824 7.032 6.844 1.00 15.00 N ATOM 321 CA THR A 452 4.149 6.441 8.128 1.00 15.00 C ATOM 322 C THR A 452 5.254 5.385 8.004 1.00 15.00 C ATOM 323 O THR A 452 5.647 4.778 9.002 1.00 15.00 O ATOM 324 CB THR A 452 2.886 5.854 8.800 1.00 15.00 C ATOM 325 OG1 THR A 452 3.226 5.200 10.031 1.00 15.00 O ATOM 326 CG2 THR A 452 2.174 4.883 7.873 1.00 15.00 C ATOM 0 H THR A 452 3.496 6.368 6.142 1.00 15.00 H new ATOM 0 HA THR A 452 4.534 7.236 8.767 1.00 15.00 H new ATOM 0 HB THR A 452 2.209 6.681 9.016 1.00 15.00 H new ATOM 0 HG1 THR A 452 4.148 4.871 9.983 1.00 15.00 H new ATOM 0 HG21 THR A 452 1.290 4.486 8.372 1.00 15.00 H new ATOM 0 HG22 THR A 452 1.875 5.402 6.963 1.00 15.00 H new ATOM 0 HG23 THR A 452 2.846 4.063 7.619 1.00 15.00 H new ATOM 334 N LEU A 453 5.742 5.171 6.775 1.00 15.00 N ATOM 335 CA LEU A 453 6.733 4.120 6.494 1.00 15.00 C ATOM 336 C LEU A 453 6.146 2.741 6.727 1.00 15.00 C ATOM 337 O LEU A 453 6.846 1.810 7.123 1.00 15.00 O ATOM 338 CB LEU A 453 8.013 4.302 7.321 1.00 15.00 C ATOM 339 CG LEU A 453 9.110 5.149 6.670 1.00 15.00 C ATOM 340 CD1 LEU A 453 9.828 4.339 5.603 1.00 15.00 C ATOM 341 CD2 LEU A 453 8.529 6.403 6.046 1.00 15.00 C ATOM 0 H LEU A 453 5.466 5.713 5.956 1.00 15.00 H new ATOM 0 HA LEU A 453 7.003 4.211 5.442 1.00 15.00 H new ATOM 0 HB2 LEU A 453 7.746 4.758 8.274 1.00 15.00 H new ATOM 0 HB3 LEU A 453 8.424 3.317 7.542 1.00 15.00 H new ATOM 0 HG LEU A 453 9.817 5.441 7.446 1.00 15.00 H new ATOM 0 HD11 LEU A 453 10.607 4.949 5.145 1.00 15.00 H new ATOM 0 HD12 LEU A 453 10.279 3.457 6.058 1.00 15.00 H new ATOM 0 HD13 LEU A 453 9.114 4.029 4.840 1.00 15.00 H new ATOM 0 HD21 LEU A 453 9.329 6.987 5.591 1.00 15.00 H new ATOM 0 HD22 LEU A 453 7.802 6.126 5.283 1.00 15.00 H new ATOM 0 HD23 LEU A 453 8.038 6.999 6.816 1.00 15.00 H new ATOM 353 N GLU A 454 4.873 2.598 6.413 1.00 15.00 N ATOM 354 CA GLU A 454 4.194 1.333 6.612 1.00 15.00 C ATOM 355 C GLU A 454 4.035 0.590 5.305 1.00 15.00 C ATOM 356 O GLU A 454 3.637 1.163 4.288 1.00 15.00 O ATOM 357 CB GLU A 454 2.814 1.517 7.241 1.00 15.00 C ATOM 358 CG GLU A 454 2.839 1.644 8.752 1.00 15.00 C ATOM 359 CD GLU A 454 1.519 1.240 9.374 1.00 15.00 C ATOM 360 OE1 GLU A 454 1.127 0.062 9.236 1.00 15.00 O ATOM 361 OE2 GLU A 454 0.863 2.097 10.002 1.00 15.00 O1- ATOM 0 H GLU A 454 4.291 3.338 6.021 1.00 15.00 H new ATOM 0 HA GLU A 454 4.817 0.754 7.293 1.00 15.00 H new ATOM 0 HB2 GLU A 454 2.349 2.408 6.819 1.00 15.00 H new ATOM 0 HB3 GLU A 454 2.185 0.670 6.968 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.637 1.020 9.156 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.070 2.673 9.026 1.00 15.00 H new ATOM 368 N SER A 455 4.346 -0.686 5.344 1.00 15.00 N ATOM 369 CA SER A 455 4.010 -1.571 4.264 1.00 15.00 C ATOM 370 C SER A 455 2.668 -2.226 4.566 1.00 15.00 C ATOM 371 O SER A 455 2.564 -3.110 5.415 1.00 15.00 O ATOM 372 CB SER A 455 5.121 -2.603 4.068 1.00 15.00 C ATOM 373 OG SER A 455 5.646 -3.023 5.316 1.00 15.00 O ATOM 0 H SER A 455 4.835 -1.132 6.120 1.00 15.00 H new ATOM 0 HA SER A 455 3.919 -1.016 3.330 1.00 15.00 H new ATOM 0 HB2 SER A 455 4.732 -3.464 3.524 1.00 15.00 H new ATOM 0 HB3 SER A 455 5.917 -2.175 3.459 1.00 15.00 H new ATOM 0 HG SER A 455 6.354 -3.684 5.167 1.00 15.00 H new ATOM 379 N THR A 456 1.633 -1.728 3.918 1.00 15.00 N ATOM 380 CA THR A 456 0.286 -2.214 4.130 1.00 15.00 C ATOM 381 C THR A 456 -0.093 -3.185 3.022 1.00 15.00 C ATOM 382 O THR A 456 -0.034 -2.850 1.840 1.00 15.00 O ATOM 383 CB THR A 456 -0.724 -1.045 4.195 1.00 15.00 C ATOM 384 OG1 THR A 456 -0.561 -0.183 3.064 1.00 15.00 O ATOM 385 CG2 THR A 456 -0.542 -0.237 5.473 1.00 15.00 C ATOM 0 H THR A 456 1.703 -0.977 3.232 1.00 15.00 H new ATOM 0 HA THR A 456 0.254 -2.735 5.087 1.00 15.00 H new ATOM 0 HB THR A 456 -1.727 -1.471 4.187 1.00 15.00 H new ATOM 0 HG1 THR A 456 -0.957 0.692 3.260 1.00 15.00 H new ATOM 0 HG21 THR A 456 -1.265 0.579 5.494 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.699 -0.883 6.337 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.468 0.172 5.504 1.00 15.00 H new ATOM 393 N TRP A 457 -0.436 -4.400 3.409 1.00 15.00 N ATOM 394 CA TRP A 457 -0.714 -5.456 2.452 1.00 15.00 C ATOM 395 C TRP A 457 -2.203 -5.742 2.431 1.00 15.00 C ATOM 396 O TRP A 457 -2.692 -6.588 1.681 1.00 15.00 O ATOM 397 CB TRP A 457 0.150 -6.682 2.781 1.00 15.00 C ATOM 398 CG TRP A 457 1.603 -6.323 2.670 1.00 15.00 C ATOM 399 CD1 TRP A 457 2.294 -5.496 3.506 1.00 15.00 C ATOM 400 CD2 TRP A 457 2.531 -6.732 1.658 1.00 15.00 C ATOM 401 NE1 TRP A 457 3.573 -5.323 3.054 1.00 15.00 N ATOM 402 CE2 TRP A 457 3.749 -6.075 1.931 1.00 15.00 C ATOM 403 CE3 TRP A 457 2.459 -7.575 0.546 1.00 15.00 C ATOM 404 CZ2 TRP A 457 4.874 -6.221 1.133 1.00 15.00 C ATOM 405 CZ3 TRP A 457 3.587 -7.734 -0.241 1.00 15.00 C ATOM 406 CH2 TRP A 457 4.779 -7.053 0.052 1.00 15.00 C ATOM 0 H TRP A 457 -0.529 -4.681 4.385 1.00 15.00 H new ATOM 0 HA TRP A 457 -0.446 -5.150 1.441 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -0.071 -7.035 3.788 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -0.086 -7.498 2.098 1.00 15.00 H new ATOM 0 HD1 TRP A 457 1.889 -5.042 4.398 1.00 15.00 H new ATOM 0 HE1 TRP A 457 4.280 -4.728 3.487 1.00 15.00 H new ATOM 0 HE3 TRP A 457 1.542 -8.092 0.305 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 5.791 -5.697 1.357 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 3.549 -8.394 -1.095 1.00 15.00 H new ATOM 0 HH2 TRP A 457 5.638 -7.189 -0.589 1.00 15.00 H new ATOM 417 N GLU A 458 -2.911 -5.000 3.265 1.00 15.00 N ATOM 418 CA GLU A 458 -4.342 -4.857 3.149 1.00 15.00 C ATOM 419 C GLU A 458 -4.613 -3.421 2.718 1.00 15.00 C ATOM 420 O GLU A 458 -3.996 -2.492 3.242 1.00 15.00 O ATOM 421 CB GLU A 458 -5.039 -5.160 4.478 1.00 15.00 C ATOM 422 CG GLU A 458 -6.323 -5.963 4.319 1.00 15.00 C ATOM 423 CD GLU A 458 -7.259 -5.385 3.274 1.00 15.00 C ATOM 424 OE1 GLU A 458 -7.065 -5.673 2.073 1.00 15.00 O ATOM 425 OE2 GLU A 458 -8.190 -4.644 3.643 1.00 15.00 O1- ATOM 0 H GLU A 458 -2.503 -4.480 4.042 1.00 15.00 H new ATOM 0 HA GLU A 458 -4.735 -5.565 2.419 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -4.353 -5.710 5.122 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -5.267 -4.221 4.983 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.072 -6.988 4.047 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -6.840 -6.005 5.278 1.00 15.00 H new ATOM 432 N LYS A 459 -5.524 -3.246 1.773 1.00 15.00 N ATOM 433 CA LYS A 459 -5.760 -1.945 1.156 1.00 15.00 C ATOM 434 C LYS A 459 -6.187 -0.905 2.190 1.00 15.00 C ATOM 435 O LYS A 459 -7.170 -1.099 2.907 1.00 15.00 O ATOM 436 CB LYS A 459 -6.821 -2.077 0.063 1.00 15.00 C ATOM 437 CG LYS A 459 -6.453 -3.099 -0.998 1.00 15.00 C ATOM 438 CD LYS A 459 -7.564 -3.279 -2.016 1.00 15.00 C ATOM 439 CE LYS A 459 -7.203 -4.339 -3.040 1.00 15.00 C ATOM 440 NZ LYS A 459 -8.316 -4.598 -3.987 1.00 15.00 N1+ ATOM 0 H LYS A 459 -6.117 -3.993 1.413 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.825 -1.603 0.713 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.771 -2.359 0.518 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -6.970 -1.107 -0.411 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -5.542 -2.783 -1.506 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.237 -4.056 -0.522 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -8.486 -3.561 -1.507 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -7.755 -2.332 -2.521 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -6.321 -4.021 -3.596 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -6.940 -5.264 -2.527 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.028 -5.328 -4.670 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -9.151 -4.926 -3.460 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -8.550 -3.722 -4.496 1.00 15.00 H new ATOM 454 N PRO A 460 -5.431 0.209 2.275 1.00 15.00 N ATOM 455 CA PRO A 460 -5.697 1.306 3.217 1.00 15.00 C ATOM 456 C PRO A 460 -7.167 1.709 3.261 1.00 15.00 C ATOM 457 O PRO A 460 -7.820 1.835 2.224 1.00 15.00 O ATOM 458 CB PRO A 460 -4.852 2.447 2.650 1.00 15.00 C ATOM 459 CG PRO A 460 -3.695 1.769 2.012 1.00 15.00 C ATOM 460 CD PRO A 460 -4.235 0.480 1.451 1.00 15.00 C ATOM 0 HA PRO A 460 -5.456 1.030 4.244 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -5.415 3.037 1.927 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -4.529 3.130 3.435 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -3.264 2.388 1.225 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.904 1.579 2.737 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.490 0.579 0.396 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.505 -0.326 1.528 1.00 15.00 H new ATOM 468 N GLN A 461 -7.679 1.932 4.462 1.00 15.00 N ATOM 469 CA GLN A 461 -9.081 2.266 4.637 1.00 15.00 C ATOM 470 C GLN A 461 -9.252 3.774 4.811 1.00 15.00 C ATOM 471 O GLN A 461 -10.359 4.301 4.721 1.00 15.00 O ATOM 472 CB GLN A 461 -9.662 1.510 5.836 1.00 15.00 C ATOM 473 CG GLN A 461 -11.182 1.557 5.916 1.00 15.00 C ATOM 474 CD GLN A 461 -11.728 0.726 7.062 1.00 15.00 C ATOM 475 OE1 GLN A 461 -11.996 -0.466 6.909 1.00 15.00 O ATOM 476 NE2 GLN A 461 -11.915 1.350 8.211 1.00 15.00 N ATOM 0 H GLN A 461 -7.143 1.887 5.329 1.00 15.00 H new ATOM 0 HA GLN A 461 -9.627 1.963 3.744 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -9.342 0.469 5.787 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -9.246 1.928 6.753 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -11.505 2.591 6.035 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -11.604 1.198 4.977 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -11.681 2.339 8.298 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -12.294 0.843 9.011 1.00 15.00 H new ATOM 485 N GLU A 462 -8.146 4.473 5.043 1.00 15.00 N ATOM 486 CA GLU A 462 -8.182 5.925 5.184 1.00 15.00 C ATOM 487 C GLU A 462 -8.048 6.601 3.822 1.00 15.00 C ATOM 488 O GLU A 462 -8.115 7.824 3.711 1.00 15.00 O ATOM 489 CB GLU A 462 -7.096 6.441 6.153 1.00 15.00 C ATOM 490 CG GLU A 462 -5.665 6.002 5.838 1.00 15.00 C ATOM 491 CD GLU A 462 -5.403 4.553 6.208 1.00 15.00 C ATOM 492 OE1 GLU A 462 -5.658 3.665 5.372 1.00 15.00 O1- ATOM 493 OE2 GLU A 462 -4.965 4.300 7.350 1.00 15.00 O ATOM 0 H GLU A 462 -7.218 4.061 5.137 1.00 15.00 H new ATOM 0 HA GLU A 462 -9.150 6.184 5.613 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -7.129 7.530 6.160 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -7.346 6.108 7.160 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -5.472 6.142 4.774 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -4.966 6.642 6.376 1.00 15.00 H new ATOM 500 N LEU A 463 -7.873 5.794 2.785 1.00 15.00 N ATOM 501 CA LEU A 463 -7.783 6.309 1.425 1.00 15.00 C ATOM 502 C LEU A 463 -9.020 5.914 0.615 1.00 15.00 C ATOM 503 O LEU A 463 -9.299 6.486 -0.440 1.00 15.00 O ATOM 504 CB LEU A 463 -6.515 5.785 0.742 1.00 15.00 C ATOM 505 CG LEU A 463 -6.262 6.327 -0.665 1.00 15.00 C ATOM 506 CD1 LEU A 463 -5.986 7.821 -0.621 1.00 15.00 C ATOM 507 CD2 LEU A 463 -5.108 5.588 -1.320 1.00 15.00 C ATOM 0 H LEU A 463 -7.790 4.780 2.859 1.00 15.00 H new ATOM 0 HA LEU A 463 -7.734 7.397 1.472 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.657 6.030 1.368 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -6.572 4.698 0.690 1.00 15.00 H new ATOM 0 HG LEU A 463 -7.158 6.163 -1.263 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -5.808 8.188 -1.632 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -6.845 8.337 -0.193 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -5.106 8.010 -0.006 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -4.942 5.987 -2.321 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -4.206 5.720 -0.723 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -5.347 4.527 -1.387 1.00 15.00 H new ATOM 519 N LYS A 464 -9.755 4.931 1.120 1.00 15.00 N ATOM 520 CA LYS A 464 -10.906 4.381 0.416 1.00 15.00 C ATOM 521 C LYS A 464 -11.831 3.660 1.391 1.00 15.00 C ATOM 522 O LYS A 464 -12.882 4.232 1.741 1.00 15.00 O ATOM 523 CB LYS A 464 -10.461 3.420 -0.695 1.00 15.00 C ATOM 524 CG LYS A 464 -9.187 2.657 -0.363 1.00 15.00 C ATOM 525 CD LYS A 464 -9.169 1.270 -0.980 1.00 15.00 C ATOM 526 CE LYS A 464 -10.204 0.361 -0.334 1.00 15.00 C ATOM 527 NZ LYS A 464 -10.099 0.367 1.151 1.00 15.00 N1+ ATOM 528 OXT LYS A 464 -11.491 2.537 1.816 1.00 15.00 O ATOM 0 H LYS A 464 -9.571 4.495 2.024 1.00 15.00 H new ATOM 0 HA LYS A 464 -11.449 5.208 -0.041 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -11.262 2.707 -0.890 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -10.307 3.986 -1.614 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -8.325 3.222 -0.718 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -9.088 2.572 0.719 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -9.364 1.344 -2.050 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -8.177 0.833 -0.867 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -11.203 0.682 -0.629 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -10.074 -0.656 -0.703 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -10.324 -0.579 1.519 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -9.131 0.626 1.430 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -10.769 1.059 1.544 1.00 15.00 H new TER 542 LYS A 464