USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 256 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 447 TYR OH : rot -124:sc= 2.29 USER MOD Set 1.2: A 459 LYS NZ :NH3+ -140:sc= 2.02 (180deg=0.204) USER MOD Set 2.1: A 449 ASN : amide:sc= -0.272 K(o=-0.17,f=-7.8!) USER MOD Set 2.2: A 452 THR OG1 : rot -63:sc= 0.107 USER MOD Set 3.1: A 439 LYS NZ :NH3+ -110:sc= 1.04 (180deg=0.317) USER MOD Set 3.2: A 445 THR OG1 : rot -134:sc= -0.517 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.14) USER MOD Single : A 446 TYR OH : rot 180:sc= -0.726! USER MOD Single : A 448 TYR OH : rot 180:sc= 0 USER MOD Single : A 450 ASN : amide:sc= -0.0323 X(o=-0.032,f=-0.31) USER MOD Single : A 455 SER OG : rot 39:sc= 0.258 USER MOD Single : A 456 THR OG1 : rot 114:sc= 0.5 USER MOD Single : A 461 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.21) USER MOD Single : A 464 LYS NZ :NH3+ 168:sc= -0.0155 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.598 5.918 -5.621 1.00 15.00 N ATOM 29 CA GLU A 434 4.553 4.824 -5.469 1.00 15.00 C ATOM 30 C GLU A 434 3.933 3.682 -4.662 1.00 15.00 C ATOM 31 O GLU A 434 4.642 2.874 -4.064 1.00 15.00 O ATOM 32 CB GLU A 434 5.823 5.315 -4.765 1.00 15.00 C ATOM 33 CG GLU A 434 7.073 4.575 -5.207 1.00 15.00 C ATOM 34 CD GLU A 434 7.337 4.726 -6.691 1.00 15.00 C ATOM 35 OE1 GLU A 434 7.895 5.767 -7.097 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 6.978 3.812 -7.460 1.00 15.00 O ATOM 0 HA GLU A 434 4.813 4.460 -6.463 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.951 6.380 -4.960 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.702 5.200 -3.688 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.931 4.949 -4.648 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.971 3.517 -4.964 1.00 15.00 H new ATOM 43 N TRP A 435 2.610 3.601 -4.683 1.00 15.00 N ATOM 44 CA TRP A 435 1.894 2.610 -3.887 1.00 15.00 C ATOM 45 C TRP A 435 1.692 1.316 -4.665 1.00 15.00 C ATOM 46 O TRP A 435 1.121 1.313 -5.754 1.00 15.00 O ATOM 47 CB TRP A 435 0.526 3.146 -3.455 1.00 15.00 C ATOM 48 CG TRP A 435 0.596 4.348 -2.567 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.428 5.648 -2.940 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.845 4.363 -1.157 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.557 6.470 -1.852 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.815 5.707 -0.744 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.093 3.370 -0.206 1.00 15.00 C ATOM 54 CZ2 TRP A 435 1.020 6.083 0.582 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.296 3.743 1.109 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.260 5.089 1.493 1.00 15.00 C ATOM 0 H TRP A 435 2.010 4.208 -5.241 1.00 15.00 H new ATOM 0 HA TRP A 435 2.503 2.405 -3.006 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.052 3.397 -4.345 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -0.015 2.355 -2.936 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.223 5.981 -3.947 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.474 7.487 -1.865 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.125 2.329 -0.493 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.991 7.121 0.880 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.486 2.984 1.853 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.425 5.349 2.528 1.00 15.00 H new ATOM 67 N THR A 436 2.172 0.226 -4.098 1.00 15.00 N ATOM 68 CA THR A 436 1.904 -1.097 -4.632 1.00 15.00 C ATOM 69 C THR A 436 1.218 -1.939 -3.562 1.00 15.00 C ATOM 70 O THR A 436 1.724 -2.060 -2.447 1.00 15.00 O ATOM 71 CB THR A 436 3.205 -1.792 -5.079 1.00 15.00 C ATOM 72 OG1 THR A 436 3.977 -0.901 -5.896 1.00 15.00 O ATOM 73 CG2 THR A 436 2.902 -3.061 -5.865 1.00 15.00 C ATOM 0 H THR A 436 2.754 0.231 -3.261 1.00 15.00 H new ATOM 0 HA THR A 436 1.257 -0.994 -5.503 1.00 15.00 H new ATOM 0 HB THR A 436 3.771 -2.060 -4.187 1.00 15.00 H new ATOM 0 HG1 THR A 436 4.803 -1.347 -6.176 1.00 15.00 H new ATOM 0 HG21 THR A 436 3.837 -3.533 -6.169 1.00 15.00 H new ATOM 0 HG22 THR A 436 2.335 -3.750 -5.239 1.00 15.00 H new ATOM 0 HG23 THR A 436 2.318 -2.810 -6.750 1.00 15.00 H new ATOM 81 N GLU A 437 0.066 -2.503 -3.886 1.00 15.00 N ATOM 82 CA GLU A 437 -0.686 -3.276 -2.913 1.00 15.00 C ATOM 83 C GLU A 437 -0.270 -4.734 -2.954 1.00 15.00 C ATOM 84 O GLU A 437 -0.280 -5.382 -4.003 1.00 15.00 O ATOM 85 CB GLU A 437 -2.189 -3.147 -3.158 1.00 15.00 C ATOM 86 CG GLU A 437 -2.604 -3.505 -4.567 1.00 15.00 C ATOM 87 CD GLU A 437 -4.088 -3.319 -4.807 1.00 15.00 C ATOM 88 OE1 GLU A 437 -4.561 -2.166 -4.789 1.00 15.00 O ATOM 89 OE2 GLU A 437 -4.787 -4.333 -5.022 1.00 15.00 O1- ATOM 0 H GLU A 437 -0.366 -2.441 -4.808 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.465 -2.878 -1.923 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.720 -3.791 -2.457 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.497 -2.123 -2.946 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -2.046 -2.889 -5.273 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -2.335 -4.542 -4.768 1.00 15.00 H new ATOM 96 N ARG A 438 0.105 -5.236 -1.802 1.00 15.00 N ATOM 97 CA ARG A 438 0.516 -6.619 -1.663 1.00 15.00 C ATOM 98 C ARG A 438 -0.481 -7.373 -0.795 1.00 15.00 C ATOM 99 O ARG A 438 -0.634 -7.082 0.393 1.00 15.00 O ATOM 100 CB ARG A 438 1.921 -6.709 -1.063 1.00 15.00 C ATOM 101 CG ARG A 438 2.400 -8.137 -0.852 1.00 15.00 C ATOM 102 CD ARG A 438 3.782 -8.177 -0.223 1.00 15.00 C ATOM 103 NE ARG A 438 4.173 -9.535 0.150 1.00 15.00 N ATOM 104 CZ ARG A 438 4.918 -9.833 1.212 1.00 15.00 C ATOM 105 NH1 ARG A 438 5.364 -8.873 2.014 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 5.208 -11.097 1.473 1.00 15.00 N ATOM 0 H ARG A 438 0.135 -4.701 -0.934 1.00 15.00 H new ATOM 0 HA ARG A 438 0.540 -7.076 -2.652 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.621 -6.192 -1.719 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.934 -6.185 -0.107 1.00 15.00 H new ATOM 0 HG2 ARG A 438 1.694 -8.667 -0.213 1.00 15.00 H new ATOM 0 HG3 ARG A 438 2.420 -8.660 -1.808 1.00 15.00 H new ATOM 0 HD2 ARG A 438 4.511 -7.769 -0.923 1.00 15.00 H new ATOM 0 HD3 ARG A 438 3.797 -7.539 0.661 1.00 15.00 H new ATOM 0 HE ARG A 438 3.855 -10.303 -0.441 1.00 15.00 H new ATOM 0 HH11 ARG A 438 5.136 -7.898 1.818 1.00 15.00 H new ATOM 0 HH12 ARG A 438 5.934 -9.110 2.826 1.00 15.00 H new ATOM 0 HH21 ARG A 438 4.861 -11.836 0.862 1.00 15.00 H new ATOM 0 HH22 ARG A 438 5.778 -11.332 2.285 1.00 15.00 H new ATOM 120 N LYS A 439 -1.178 -8.316 -1.403 1.00 15.00 N ATOM 121 CA LYS A 439 -2.139 -9.131 -0.685 1.00 15.00 C ATOM 122 C LYS A 439 -1.466 -10.407 -0.204 1.00 15.00 C ATOM 123 O LYS A 439 -1.100 -11.266 -1.002 1.00 15.00 O ATOM 124 CB LYS A 439 -3.338 -9.458 -1.581 1.00 15.00 C ATOM 125 CG LYS A 439 -3.859 -8.248 -2.337 1.00 15.00 C ATOM 126 CD LYS A 439 -5.152 -8.543 -3.074 1.00 15.00 C ATOM 127 CE LYS A 439 -5.524 -7.395 -4.001 1.00 15.00 C ATOM 128 NZ LYS A 439 -5.649 -6.100 -3.277 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.095 -8.536 -2.396 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.504 -8.576 0.179 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.052 -10.230 -2.295 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.140 -9.871 -0.969 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.021 -7.428 -1.638 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -3.105 -7.915 -3.050 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.045 -9.461 -3.651 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -5.955 -8.710 -2.356 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -4.768 -7.301 -4.780 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.467 -7.623 -4.498 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -6.648 -5.814 -3.247 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.291 -6.209 -2.307 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -5.095 -5.371 -3.771 1.00 15.00 H new ATOM 142 N THR A 440 -1.287 -10.508 1.101 1.00 15.00 N ATOM 143 CA THR A 440 -0.591 -11.640 1.684 1.00 15.00 C ATOM 144 C THR A 440 -1.572 -12.760 2.017 1.00 15.00 C ATOM 145 O THR A 440 -2.747 -12.507 2.320 1.00 15.00 O ATOM 146 CB THR A 440 0.203 -11.226 2.947 1.00 15.00 C ATOM 147 OG1 THR A 440 0.931 -12.347 3.462 1.00 15.00 O ATOM 148 CG2 THR A 440 -0.715 -10.673 4.030 1.00 15.00 C ATOM 0 H THR A 440 -1.615 -9.819 1.778 1.00 15.00 H new ATOM 0 HA THR A 440 0.122 -12.006 0.945 1.00 15.00 H new ATOM 0 HB THR A 440 0.898 -10.439 2.655 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.431 -12.074 4.259 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.123 -10.393 4.901 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.239 -9.796 3.650 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.441 -11.434 4.315 1.00 15.00 H new ATOM 156 N ALA A 441 -1.075 -13.998 1.962 1.00 15.00 N ATOM 157 CA ALA A 441 -1.894 -15.196 2.150 1.00 15.00 C ATOM 158 C ALA A 441 -2.511 -15.256 3.546 1.00 15.00 C ATOM 159 O ALA A 441 -3.365 -16.103 3.821 1.00 15.00 O ATOM 160 CB ALA A 441 -1.060 -16.440 1.887 1.00 15.00 C ATOM 0 H ALA A 441 -0.090 -14.197 1.785 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.716 -15.151 1.435 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.676 -17.328 2.029 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.686 -16.418 0.863 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.219 -16.467 2.580 1.00 15.00 H new ATOM 166 N ASP A 442 -2.075 -14.360 4.423 1.00 15.00 N ATOM 167 CA ASP A 442 -2.673 -14.222 5.747 1.00 15.00 C ATOM 168 C ASP A 442 -4.118 -13.739 5.629 1.00 15.00 C ATOM 169 O ASP A 442 -4.938 -13.944 6.524 1.00 15.00 O ATOM 170 CB ASP A 442 -1.857 -13.242 6.594 1.00 15.00 C ATOM 171 CG ASP A 442 -2.522 -12.906 7.914 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.345 -13.668 8.887 1.00 15.00 O1- ATOM 173 OD2 ASP A 442 -3.221 -11.874 7.985 1.00 15.00 O ATOM 0 H ASP A 442 -1.306 -13.715 4.241 1.00 15.00 H new ATOM 0 HA ASP A 442 -2.670 -15.197 6.235 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.873 -13.669 6.787 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.700 -12.324 6.028 1.00 15.00 H new ATOM 178 N GLY A 443 -4.421 -13.099 4.508 1.00 15.00 N ATOM 179 CA GLY A 443 -5.750 -12.575 4.291 1.00 15.00 C ATOM 180 C GLY A 443 -5.814 -11.081 4.514 1.00 15.00 C ATOM 181 O GLY A 443 -6.807 -10.566 5.027 1.00 15.00 O ATOM 0 H GLY A 443 -3.766 -12.934 3.744 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.068 -12.804 3.274 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.450 -13.072 4.963 1.00 15.00 H new ATOM 185 N LYS A 444 -4.744 -10.385 4.142 1.00 15.00 N ATOM 186 CA LYS A 444 -4.696 -8.934 4.264 1.00 15.00 C ATOM 187 C LYS A 444 -3.966 -8.322 3.079 1.00 15.00 C ATOM 188 O LYS A 444 -2.956 -8.850 2.615 1.00 15.00 O ATOM 189 CB LYS A 444 -4.004 -8.495 5.563 1.00 15.00 C ATOM 190 CG LYS A 444 -4.799 -8.789 6.827 1.00 15.00 C ATOM 191 CD LYS A 444 -4.325 -7.937 7.998 1.00 15.00 C ATOM 192 CE LYS A 444 -2.950 -8.353 8.500 1.00 15.00 C ATOM 193 NZ LYS A 444 -3.002 -9.618 9.274 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.899 -10.804 3.754 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.727 -8.581 4.284 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -3.037 -8.993 5.632 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.808 -7.424 5.512 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.857 -8.601 6.644 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.702 -9.844 7.081 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -4.296 -6.891 7.694 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -5.044 -8.013 8.813 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -2.275 -8.474 7.652 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -2.537 -7.562 9.126 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -2.116 -9.736 9.806 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -3.803 -9.587 9.937 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -3.123 -10.419 8.622 1.00 15.00 H new ATOM 207 N THR A 445 -4.468 -7.193 2.620 1.00 15.00 N ATOM 208 CA THR A 445 -3.865 -6.475 1.513 1.00 15.00 C ATOM 209 C THR A 445 -3.377 -5.107 1.982 1.00 15.00 C ATOM 210 O THR A 445 -4.172 -4.240 2.343 1.00 15.00 O ATOM 211 CB THR A 445 -4.861 -6.328 0.331 1.00 15.00 C ATOM 212 OG1 THR A 445 -4.313 -5.489 -0.698 1.00 15.00 O ATOM 213 CG2 THR A 445 -6.204 -5.769 0.790 1.00 15.00 C ATOM 0 H THR A 445 -5.303 -6.748 3.002 1.00 15.00 H new ATOM 0 HA THR A 445 -3.011 -7.050 1.155 1.00 15.00 H new ATOM 0 HB THR A 445 -5.027 -7.327 -0.073 1.00 15.00 H new ATOM 0 HG1 THR A 445 -4.990 -4.843 -0.989 1.00 15.00 H new ATOM 0 HG21 THR A 445 -6.873 -5.681 -0.066 1.00 15.00 H new ATOM 0 HG22 THR A 445 -6.644 -6.440 1.528 1.00 15.00 H new ATOM 0 HG23 THR A 445 -6.055 -4.786 1.237 1.00 15.00 H new ATOM 221 N TYR A 446 -2.066 -4.920 2.002 1.00 15.00 N ATOM 222 CA TYR A 446 -1.498 -3.667 2.473 1.00 15.00 C ATOM 223 C TYR A 446 -0.830 -2.920 1.329 1.00 15.00 C ATOM 224 O TYR A 446 -0.290 -3.528 0.402 1.00 15.00 O ATOM 225 CB TYR A 446 -0.503 -3.908 3.621 1.00 15.00 C ATOM 226 CG TYR A 446 0.820 -4.527 3.216 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.972 -5.905 3.127 1.00 15.00 C ATOM 228 CD2 TYR A 446 1.923 -3.725 2.947 1.00 15.00 C ATOM 229 CE1 TYR A 446 2.186 -6.466 2.775 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.138 -4.280 2.596 1.00 15.00 C ATOM 231 CZ TYR A 446 3.265 -5.648 2.511 1.00 15.00 C ATOM 232 OH TYR A 446 4.478 -6.202 2.166 1.00 15.00 O ATOM 0 H TYR A 446 -1.381 -5.613 1.700 1.00 15.00 H new ATOM 0 HA TYR A 446 -2.311 -3.051 2.858 1.00 15.00 H new ATOM 0 HB2 TYR A 446 -0.304 -2.956 4.112 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.976 -4.555 4.360 1.00 15.00 H new ATOM 0 HD1 TYR A 446 0.130 -6.548 3.336 1.00 15.00 H new ATOM 0 HD2 TYR A 446 1.828 -2.651 3.014 1.00 15.00 H new ATOM 0 HE1 TYR A 446 2.289 -7.539 2.707 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.985 -3.643 2.389 1.00 15.00 H new ATOM 0 HH TYR A 446 5.132 -5.488 2.012 1.00 15.00 H new ATOM 242 N TYR A 447 -0.866 -1.602 1.408 1.00 15.00 N ATOM 243 CA TYR A 447 -0.272 -0.753 0.393 1.00 15.00 C ATOM 244 C TYR A 447 1.130 -0.339 0.796 1.00 15.00 C ATOM 245 O TYR A 447 1.332 0.299 1.829 1.00 15.00 O ATOM 246 CB TYR A 447 -1.146 0.477 0.150 1.00 15.00 C ATOM 247 CG TYR A 447 -2.389 0.167 -0.648 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.530 -0.334 -0.033 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.411 0.354 -2.021 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.661 -0.632 -0.769 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.535 0.055 -2.762 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.656 -0.437 -2.133 1.00 15.00 C ATOM 253 OH TYR A 447 -5.774 -0.738 -2.876 1.00 15.00 O ATOM 0 H TYR A 447 -1.306 -1.092 2.174 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.207 -1.320 -0.536 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.434 0.907 1.109 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.562 1.233 -0.375 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.533 -0.493 1.035 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.534 0.740 -2.519 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.543 -1.015 -0.278 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.536 0.206 -3.831 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.534 -1.369 -3.586 1.00 15.00 H new ATOM 263 N TYR A 448 2.091 -0.725 -0.020 1.00 15.00 N ATOM 264 CA TYR A 448 3.483 -0.427 0.237 1.00 15.00 C ATOM 265 C TYR A 448 3.984 0.643 -0.726 1.00 15.00 C ATOM 266 O TYR A 448 4.008 0.441 -1.941 1.00 15.00 O ATOM 267 CB TYR A 448 4.320 -1.703 0.103 1.00 15.00 C ATOM 268 CG TYR A 448 5.798 -1.507 0.352 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.288 -1.313 1.637 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.703 -1.530 -0.700 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.640 -1.146 1.866 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.054 -1.363 -0.480 1.00 15.00 C ATOM 273 CZ TYR A 448 8.518 -1.172 0.804 1.00 15.00 C ATOM 274 OH TYR A 448 9.868 -1.012 1.024 1.00 15.00 O ATOM 0 H TYR A 448 1.928 -1.253 -0.877 1.00 15.00 H new ATOM 0 HA TYR A 448 3.582 -0.045 1.253 1.00 15.00 H new ATOM 0 HB2 TYR A 448 3.941 -2.447 0.804 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.183 -2.110 -0.899 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.601 -1.292 2.470 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.343 -1.681 -1.707 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.007 -0.996 2.871 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.745 -1.382 -1.310 1.00 15.00 H new ATOM 0 HH TYR A 448 10.346 -1.057 0.170 1.00 15.00 H new ATOM 284 N ASN A 449 4.353 1.784 -0.174 1.00 15.00 N ATOM 285 CA ASN A 449 4.941 2.862 -0.948 1.00 15.00 C ATOM 286 C ASN A 449 6.448 2.687 -0.967 1.00 15.00 C ATOM 287 O ASN A 449 7.107 2.837 0.064 1.00 15.00 O ATOM 288 CB ASN A 449 4.594 4.220 -0.336 1.00 15.00 C ATOM 289 CG ASN A 449 4.929 5.378 -1.256 1.00 15.00 C ATOM 290 OD1 ASN A 449 6.074 5.814 -1.335 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.924 5.902 -1.940 1.00 15.00 N ATOM 0 H ASN A 449 4.254 1.990 0.820 1.00 15.00 H new ATOM 0 HA ASN A 449 4.543 2.829 -1.962 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.531 4.246 -0.098 1.00 15.00 H new ATOM 0 HB3 ASN A 449 5.134 4.339 0.603 1.00 15.00 H new ATOM 0 HD21 ASN A 449 4.088 6.696 -2.559 1.00 15.00 H new ATOM 0 HD22 ASN A 449 2.986 5.512 -1.848 1.00 15.00 H new ATOM 298 N ASN A 450 6.989 2.363 -2.129 1.00 15.00 N ATOM 299 CA ASN A 450 8.410 2.041 -2.249 1.00 15.00 C ATOM 300 C ASN A 450 9.279 3.295 -2.154 1.00 15.00 C ATOM 301 O ASN A 450 10.492 3.209 -1.970 1.00 15.00 O ATOM 302 CB ASN A 450 8.671 1.300 -3.568 1.00 15.00 C ATOM 303 CG ASN A 450 10.103 0.808 -3.701 1.00 15.00 C ATOM 304 OD1 ASN A 450 10.450 -0.260 -3.201 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.932 1.565 -4.404 1.00 15.00 N ATOM 0 H ASN A 450 6.470 2.315 -3.006 1.00 15.00 H new ATOM 0 HA ASN A 450 8.682 1.392 -1.417 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.993 0.450 -3.641 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.442 1.963 -4.402 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.897 1.268 -4.547 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.605 2.445 -4.803 1.00 15.00 H new ATOM 312 N ARG A 451 8.658 4.461 -2.268 1.00 15.00 N ATOM 313 CA ARG A 451 9.400 5.714 -2.258 1.00 15.00 C ATOM 314 C ARG A 451 9.597 6.234 -0.832 1.00 15.00 C ATOM 315 O ARG A 451 10.579 6.920 -0.546 1.00 15.00 O ATOM 316 CB ARG A 451 8.697 6.762 -3.135 1.00 15.00 C ATOM 317 CG ARG A 451 9.370 8.126 -3.132 1.00 15.00 C ATOM 318 CD ARG A 451 8.565 9.143 -3.922 1.00 15.00 C ATOM 319 NE ARG A 451 9.262 10.421 -4.052 1.00 15.00 N ATOM 320 CZ ARG A 451 8.661 11.608 -3.991 1.00 15.00 C ATOM 321 NH1 ARG A 451 7.364 11.687 -3.716 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 9.357 12.716 -4.201 1.00 15.00 N ATOM 0 H ARG A 451 7.648 4.565 -2.368 1.00 15.00 H new ATOM 0 HA ARG A 451 10.389 5.524 -2.676 1.00 15.00 H new ATOM 0 HB2 ARG A 451 8.653 6.393 -4.160 1.00 15.00 H new ATOM 0 HB3 ARG A 451 7.668 6.875 -2.793 1.00 15.00 H new ATOM 0 HG2 ARG A 451 9.489 8.472 -2.105 1.00 15.00 H new ATOM 0 HG3 ARG A 451 10.370 8.041 -3.558 1.00 15.00 H new ATOM 0 HD2 ARG A 451 8.354 8.744 -4.914 1.00 15.00 H new ATOM 0 HD3 ARG A 451 7.605 9.303 -3.432 1.00 15.00 H new ATOM 0 HE ARG A 451 10.271 10.403 -4.199 1.00 15.00 H new ATOM 0 HH11 ARG A 451 6.825 10.837 -3.551 1.00 15.00 H new ATOM 0 HH12 ARG A 451 6.907 12.598 -3.670 1.00 15.00 H new ATOM 0 HH21 ARG A 451 10.354 12.660 -4.410 1.00 15.00 H new ATOM 0 HH22 ARG A 451 8.896 13.625 -4.154 1.00 15.00 H new ATOM 336 N THR A 452 8.660 5.921 0.055 1.00 15.00 N ATOM 337 CA THR A 452 8.744 6.374 1.440 1.00 15.00 C ATOM 338 C THR A 452 8.915 5.204 2.406 1.00 15.00 C ATOM 339 O THR A 452 9.114 5.410 3.607 1.00 15.00 O ATOM 340 CB THR A 452 7.490 7.177 1.837 1.00 15.00 C ATOM 341 OG1 THR A 452 6.310 6.426 1.522 1.00 15.00 O ATOM 342 CG2 THR A 452 7.449 8.518 1.120 1.00 15.00 C ATOM 0 H THR A 452 7.836 5.358 -0.158 1.00 15.00 H new ATOM 0 HA THR A 452 9.622 7.016 1.508 1.00 15.00 H new ATOM 0 HB THR A 452 7.531 7.362 2.910 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.256 6.292 0.553 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.554 9.063 1.419 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.333 9.099 1.384 1.00 15.00 H new ATOM 0 HG23 THR A 452 7.431 8.354 0.043 1.00 15.00 H new ATOM 350 N LEU A 453 8.826 3.981 1.871 1.00 15.00 N ATOM 351 CA LEU A 453 8.952 2.756 2.668 1.00 15.00 C ATOM 352 C LEU A 453 7.758 2.616 3.612 1.00 15.00 C ATOM 353 O LEU A 453 7.815 1.896 4.610 1.00 15.00 O ATOM 354 CB LEU A 453 10.266 2.756 3.462 1.00 15.00 C ATOM 355 CG LEU A 453 11.541 2.857 2.619 1.00 15.00 C ATOM 356 CD1 LEU A 453 12.765 2.941 3.513 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.654 1.672 1.674 1.00 15.00 C ATOM 0 H LEU A 453 8.665 3.813 0.878 1.00 15.00 H new ATOM 0 HA LEU A 453 8.965 1.903 1.989 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.247 3.590 4.164 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.313 1.842 4.054 1.00 15.00 H new ATOM 0 HG LEU A 453 11.485 3.768 2.023 1.00 15.00 H new ATOM 0 HD11 LEU A 453 13.661 3.012 2.897 1.00 15.00 H new ATOM 0 HD12 LEU A 453 12.691 3.823 4.149 1.00 15.00 H new ATOM 0 HD13 LEU A 453 12.823 2.048 4.136 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.566 1.763 1.084 1.00 15.00 H new ATOM 0 HD22 LEU A 453 11.685 0.748 2.251 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.791 1.654 1.008 1.00 15.00 H new ATOM 369 N GLU A 454 6.660 3.263 3.243 1.00 15.00 N ATOM 370 CA GLU A 454 5.467 3.309 4.079 1.00 15.00 C ATOM 371 C GLU A 454 4.535 2.144 3.763 1.00 15.00 C ATOM 372 O GLU A 454 4.245 1.873 2.604 1.00 15.00 O ATOM 373 CB GLU A 454 4.735 4.634 3.852 1.00 15.00 C ATOM 374 CG GLU A 454 3.433 4.765 4.630 1.00 15.00 C ATOM 375 CD GLU A 454 3.646 4.853 6.125 1.00 15.00 C ATOM 376 OE1 GLU A 454 3.907 3.814 6.762 1.00 15.00 O ATOM 377 OE2 GLU A 454 3.532 5.968 6.676 1.00 15.00 O1- ATOM 0 H GLU A 454 6.571 3.768 2.361 1.00 15.00 H new ATOM 0 HA GLU A 454 5.771 3.230 5.123 1.00 15.00 H new ATOM 0 HB2 GLU A 454 5.396 5.455 4.130 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.523 4.742 2.788 1.00 15.00 H new ATOM 0 HG2 GLU A 454 2.901 5.654 4.291 1.00 15.00 H new ATOM 0 HG3 GLU A 454 2.796 3.909 4.409 1.00 15.00 H new ATOM 384 N SER A 455 4.059 1.472 4.796 1.00 15.00 N ATOM 385 CA SER A 455 3.117 0.380 4.624 1.00 15.00 C ATOM 386 C SER A 455 1.811 0.682 5.356 1.00 15.00 C ATOM 387 O SER A 455 1.783 0.773 6.586 1.00 15.00 O ATOM 388 CB SER A 455 3.732 -0.929 5.129 1.00 15.00 C ATOM 389 OG SER A 455 4.230 -0.786 6.452 1.00 15.00 O ATOM 0 H SER A 455 4.310 1.664 5.766 1.00 15.00 H new ATOM 0 HA SER A 455 2.894 0.271 3.563 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.982 -1.720 5.103 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.540 -1.234 4.464 1.00 15.00 H new ATOM 0 HG SER A 455 3.617 -0.227 6.974 1.00 15.00 H new ATOM 395 N THR A 456 0.739 0.864 4.602 1.00 15.00 N ATOM 396 CA THR A 456 -0.559 1.159 5.187 1.00 15.00 C ATOM 397 C THR A 456 -1.509 -0.021 5.002 1.00 15.00 C ATOM 398 O THR A 456 -1.433 -0.736 4.005 1.00 15.00 O ATOM 399 CB THR A 456 -1.178 2.427 4.560 1.00 15.00 C ATOM 400 OG1 THR A 456 -1.332 2.263 3.145 1.00 15.00 O ATOM 401 CG2 THR A 456 -0.313 3.647 4.838 1.00 15.00 C ATOM 0 H THR A 456 0.742 0.813 3.583 1.00 15.00 H new ATOM 0 HA THR A 456 -0.409 1.336 6.252 1.00 15.00 H new ATOM 0 HB THR A 456 -2.158 2.579 5.013 1.00 15.00 H new ATOM 0 HG1 THR A 456 -2.286 2.245 2.920 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.770 4.528 4.386 1.00 15.00 H new ATOM 0 HG22 THR A 456 -0.227 3.795 5.915 1.00 15.00 H new ATOM 0 HG23 THR A 456 0.679 3.494 4.413 1.00 15.00 H new ATOM 409 N TRP A 457 -2.401 -0.227 5.962 1.00 15.00 N ATOM 410 CA TRP A 457 -3.362 -1.322 5.878 1.00 15.00 C ATOM 411 C TRP A 457 -4.654 -0.830 5.243 1.00 15.00 C ATOM 412 O TRP A 457 -5.591 -1.597 5.015 1.00 15.00 O ATOM 413 CB TRP A 457 -3.636 -1.912 7.264 1.00 15.00 C ATOM 414 CG TRP A 457 -2.425 -2.536 7.891 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.667 -2.019 8.901 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.825 -3.788 7.538 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.636 -2.877 9.203 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.710 -3.968 8.379 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.125 -4.776 6.596 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.105 -5.093 8.303 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.312 -5.891 6.521 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.210 -6.043 7.371 1.00 15.00 C ATOM 0 H TRP A 457 -2.480 0.345 6.803 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.939 -2.109 5.254 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -4.012 -1.126 7.919 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.423 -2.662 7.183 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.850 -1.074 9.391 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.069 -2.725 9.924 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -2.976 -4.670 5.939 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 0.956 -5.212 8.957 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.531 -6.659 5.794 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.404 -6.928 7.289 1.00 15.00 H new ATOM 433 N GLU A 458 -4.687 0.463 4.974 1.00 15.00 N ATOM 434 CA GLU A 458 -5.818 1.097 4.327 1.00 15.00 C ATOM 435 C GLU A 458 -5.344 1.837 3.081 1.00 15.00 C ATOM 436 O GLU A 458 -4.237 2.384 3.061 1.00 15.00 O ATOM 437 CB GLU A 458 -6.522 2.065 5.292 1.00 15.00 C ATOM 438 CG GLU A 458 -5.616 3.128 5.909 1.00 15.00 C ATOM 439 CD GLU A 458 -4.643 2.566 6.927 1.00 15.00 C ATOM 440 OE1 GLU A 458 -5.089 2.171 8.024 1.00 15.00 O1- ATOM 441 OE2 GLU A 458 -3.433 2.506 6.629 1.00 15.00 O ATOM 0 H GLU A 458 -3.926 1.104 5.200 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.535 0.330 4.036 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -7.331 2.563 4.758 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -6.979 1.487 6.095 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -5.056 3.624 5.116 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -6.233 3.889 6.387 1.00 15.00 H new ATOM 448 N LYS A 459 -6.176 1.853 2.049 1.00 15.00 N ATOM 449 CA LYS A 459 -5.827 2.511 0.795 1.00 15.00 C ATOM 450 C LYS A 459 -5.835 4.029 0.954 1.00 15.00 C ATOM 451 O LYS A 459 -6.856 4.623 1.304 1.00 15.00 O ATOM 452 CB LYS A 459 -6.790 2.100 -0.331 1.00 15.00 C ATOM 453 CG LYS A 459 -8.254 2.266 0.035 1.00 15.00 C ATOM 454 CD LYS A 459 -9.192 2.099 -1.158 1.00 15.00 C ATOM 455 CE LYS A 459 -9.176 0.689 -1.737 1.00 15.00 C ATOM 456 NZ LYS A 459 -8.195 0.541 -2.849 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.098 1.418 2.054 1.00 15.00 H new ATOM 0 HA LYS A 459 -4.820 2.192 0.527 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -6.575 2.696 -1.218 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -6.605 1.059 -0.595 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -8.516 1.536 0.801 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -8.404 3.253 0.472 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -10.208 2.348 -0.852 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.911 2.808 -1.936 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -8.935 -0.022 -0.947 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -10.173 0.437 -2.100 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -8.607 -0.049 -3.600 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -7.963 1.479 -3.234 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -7.329 0.090 -2.490 1.00 15.00 H new ATOM 470 N PRO A 460 -4.684 4.671 0.725 1.00 15.00 N ATOM 471 CA PRO A 460 -4.592 6.131 0.652 1.00 15.00 C ATOM 472 C PRO A 460 -5.512 6.687 -0.419 1.00 15.00 C ATOM 473 O PRO A 460 -5.938 5.965 -1.321 1.00 15.00 O ATOM 474 CB PRO A 460 -3.127 6.379 0.281 1.00 15.00 C ATOM 475 CG PRO A 460 -2.411 5.158 0.743 1.00 15.00 C ATOM 476 CD PRO A 460 -3.372 4.027 0.544 1.00 15.00 C ATOM 0 HA PRO A 460 -4.890 6.616 1.582 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.009 6.525 -0.793 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.740 7.274 0.769 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.496 5.000 0.171 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.121 5.246 1.790 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -3.273 3.583 -0.447 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.211 3.228 1.268 1.00 15.00 H new ATOM 484 N GLN A 461 -5.787 7.975 -0.318 1.00 15.00 N ATOM 485 CA GLN A 461 -6.669 8.678 -1.256 1.00 15.00 C ATOM 486 C GLN A 461 -6.275 8.431 -2.719 1.00 15.00 C ATOM 487 O GLN A 461 -7.105 8.546 -3.620 1.00 15.00 O ATOM 488 CB GLN A 461 -6.658 10.182 -0.960 1.00 15.00 C ATOM 489 CG GLN A 461 -7.548 11.010 -1.879 1.00 15.00 C ATOM 490 CD GLN A 461 -9.020 10.685 -1.728 1.00 15.00 C ATOM 491 OE1 GLN A 461 -9.716 11.285 -0.913 1.00 15.00 O ATOM 492 NE2 GLN A 461 -9.507 9.743 -2.520 1.00 15.00 N ATOM 0 H GLN A 461 -5.408 8.572 0.417 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.675 8.282 -1.116 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -6.974 10.340 0.071 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.634 10.548 -1.039 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -7.392 12.068 -1.670 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -7.249 10.842 -2.914 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -8.895 9.268 -3.184 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -10.494 9.492 -2.467 1.00 15.00 H new ATOM 501 N GLU A 462 -5.013 8.094 -2.947 1.00 15.00 N ATOM 502 CA GLU A 462 -4.511 7.860 -4.295 1.00 15.00 C ATOM 503 C GLU A 462 -5.037 6.539 -4.867 1.00 15.00 C ATOM 504 O GLU A 462 -4.978 6.310 -6.074 1.00 15.00 O ATOM 505 CB GLU A 462 -2.981 7.862 -4.284 1.00 15.00 C ATOM 506 CG GLU A 462 -2.387 9.140 -3.711 1.00 15.00 C ATOM 507 CD GLU A 462 -0.874 9.110 -3.643 1.00 15.00 C ATOM 508 OE1 GLU A 462 -0.225 9.316 -4.690 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -0.324 8.889 -2.545 1.00 15.00 O ATOM 0 H GLU A 462 -4.315 7.976 -2.213 1.00 15.00 H new ATOM 0 HA GLU A 462 -4.870 8.664 -4.937 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.627 7.012 -3.701 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.617 7.724 -5.302 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -2.701 9.986 -4.322 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.787 9.303 -2.710 1.00 15.00 H new ATOM 516 N LEU A 463 -5.535 5.669 -3.989 1.00 15.00 N ATOM 517 CA LEU A 463 -6.070 4.367 -4.402 1.00 15.00 C ATOM 518 C LEU A 463 -7.523 4.244 -3.959 1.00 15.00 C ATOM 519 O LEU A 463 -8.124 3.169 -4.050 1.00 15.00 O ATOM 520 CB LEU A 463 -5.284 3.197 -3.779 1.00 15.00 C ATOM 521 CG LEU A 463 -3.756 3.210 -3.924 1.00 15.00 C ATOM 522 CD1 LEU A 463 -3.329 3.555 -5.344 1.00 15.00 C ATOM 523 CD2 LEU A 463 -3.138 4.155 -2.907 1.00 15.00 C ATOM 0 H LEU A 463 -5.580 5.841 -2.985 1.00 15.00 H new ATOM 0 HA LEU A 463 -5.983 4.314 -5.487 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.520 3.162 -2.715 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.655 2.271 -4.218 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.387 2.205 -3.722 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.241 3.554 -5.407 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.733 2.815 -6.035 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.707 4.543 -5.608 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -2.054 4.154 -3.021 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.519 5.163 -3.069 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -3.397 3.826 -1.901 1.00 15.00 H new ATOM 535 N LYS A 464 -8.075 5.345 -3.475 1.00 15.00 N ATOM 536 CA LYS A 464 -9.410 5.348 -2.902 1.00 15.00 C ATOM 537 C LYS A 464 -10.435 5.679 -3.982 1.00 15.00 C ATOM 538 O LYS A 464 -11.235 4.790 -4.333 1.00 15.00 O ATOM 539 CB LYS A 464 -9.477 6.356 -1.744 1.00 15.00 C ATOM 540 CG LYS A 464 -10.591 6.095 -0.736 1.00 15.00 C ATOM 541 CD LYS A 464 -11.960 6.488 -1.267 1.00 15.00 C ATOM 542 CE LYS A 464 -13.057 6.192 -0.257 1.00 15.00 C ATOM 543 NZ LYS A 464 -12.866 6.935 1.018 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.414 6.816 -4.494 1.00 15.00 O ATOM 0 H LYS A 464 -7.614 6.255 -3.468 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.641 4.359 -2.506 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -8.522 6.350 -1.219 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -9.607 7.356 -2.158 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -10.597 5.038 -0.472 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -10.386 6.651 0.179 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -11.965 7.550 -1.510 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -12.161 5.948 -2.192 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -14.024 6.454 -0.687 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -13.079 5.122 -0.051 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -13.730 6.865 1.593 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -12.067 6.525 1.542 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -12.668 7.935 0.811 1.00 15.00 H new