USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=12 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 449 ASN : amide:sc= -0.448! C(o=-0.18!,f=-13!) USER MOD Set 1.2: A 452 THR OG1 : rot -61:sc= 0.267 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 158:sc= 0.847 (180deg=0.41) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.04) USER MOD Single : A 445 THR OG1 : rot 170:sc= -0.341 USER MOD Single : A 446 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 447 TYR OH : rot -102:sc= -0.596! USER MOD Single : A 448 TYR OH : rot 165:sc= -0.0193 USER MOD Single : A 450 ASN : amide:sc= 0.381 K(o=0.38,f=-0.28) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot -126:sc= 0.219 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=-0.26) USER MOD Single : A 464 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.188) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 434 3.178 5.837 -5.543 1.00 15.00 N ATOM 29 CA GLU A 434 4.223 4.885 -5.204 1.00 15.00 C ATOM 30 C GLU A 434 3.710 3.804 -4.256 1.00 15.00 C ATOM 31 O GLU A 434 4.498 3.067 -3.665 1.00 15.00 O ATOM 32 CB GLU A 434 5.411 5.616 -4.583 1.00 15.00 C ATOM 33 CG GLU A 434 6.589 5.757 -5.539 1.00 15.00 C ATOM 34 CD GLU A 434 6.279 6.681 -6.706 1.00 15.00 C ATOM 35 OE1 GLU A 434 6.362 7.913 -6.525 1.00 15.00 O1- ATOM 36 OE2 GLU A 434 5.943 6.183 -7.803 1.00 15.00 O ATOM 0 HA GLU A 434 4.543 4.393 -6.123 1.00 15.00 H new ATOM 0 HB2 GLU A 434 5.092 6.607 -4.259 1.00 15.00 H new ATOM 0 HB3 GLU A 434 5.736 5.079 -3.692 1.00 15.00 H new ATOM 0 HG2 GLU A 434 7.452 6.140 -4.994 1.00 15.00 H new ATOM 0 HG3 GLU A 434 6.864 4.774 -5.920 1.00 15.00 H new ATOM 43 N TRP A 435 2.393 3.688 -4.146 1.00 15.00 N ATOM 44 CA TRP A 435 1.784 2.679 -3.294 1.00 15.00 C ATOM 45 C TRP A 435 1.555 1.396 -4.080 1.00 15.00 C ATOM 46 O TRP A 435 0.733 1.354 -4.994 1.00 15.00 O ATOM 47 CB TRP A 435 0.442 3.157 -2.735 1.00 15.00 C ATOM 48 CG TRP A 435 0.515 4.403 -1.909 1.00 15.00 C ATOM 49 CD1 TRP A 435 0.310 5.683 -2.337 1.00 15.00 C ATOM 50 CD2 TRP A 435 0.797 4.487 -0.507 1.00 15.00 C ATOM 51 NE1 TRP A 435 0.444 6.557 -1.287 1.00 15.00 N ATOM 52 CE2 TRP A 435 0.744 5.850 -0.153 1.00 15.00 C ATOM 53 CE3 TRP A 435 1.082 3.544 0.484 1.00 15.00 C ATOM 54 CZ2 TRP A 435 0.974 6.288 1.151 1.00 15.00 C ATOM 55 CZ3 TRP A 435 1.311 3.981 1.773 1.00 15.00 C ATOM 56 CH2 TRP A 435 1.253 5.342 2.099 1.00 15.00 C ATOM 0 H TRP A 435 1.726 4.282 -4.638 1.00 15.00 H new ATOM 0 HA TRP A 435 2.468 2.496 -2.466 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -0.242 3.328 -3.566 1.00 15.00 H new ATOM 0 HB3 TRP A 435 0.012 2.360 -2.128 1.00 15.00 H new ATOM 0 HD1 TRP A 435 0.077 5.966 -3.353 1.00 15.00 H new ATOM 0 HE1 TRP A 435 0.337 7.570 -1.342 1.00 15.00 H new ATOM 0 HE3 TRP A 435 1.122 2.491 0.245 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 0.933 7.337 1.404 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 1.539 3.260 2.544 1.00 15.00 H new ATOM 0 HH2 TRP A 435 1.432 5.650 3.118 1.00 15.00 H new ATOM 67 N THR A 436 2.298 0.361 -3.739 1.00 15.00 N ATOM 68 CA THR A 436 2.103 -0.942 -4.334 1.00 15.00 C ATOM 69 C THR A 436 1.153 -1.761 -3.467 1.00 15.00 C ATOM 70 O THR A 436 1.383 -1.923 -2.265 1.00 15.00 O ATOM 71 CB THR A 436 3.444 -1.688 -4.497 1.00 15.00 C ATOM 72 OG1 THR A 436 4.375 -0.858 -5.206 1.00 15.00 O ATOM 73 CG2 THR A 436 3.257 -2.999 -5.248 1.00 15.00 C ATOM 0 H THR A 436 3.047 0.401 -3.048 1.00 15.00 H new ATOM 0 HA THR A 436 1.671 -0.807 -5.326 1.00 15.00 H new ATOM 0 HB THR A 436 3.830 -1.914 -3.503 1.00 15.00 H new ATOM 0 HG1 THR A 436 5.226 -1.333 -5.307 1.00 15.00 H new ATOM 0 HG21 THR A 436 4.219 -3.502 -5.347 1.00 15.00 H new ATOM 0 HG22 THR A 436 2.568 -3.639 -4.697 1.00 15.00 H new ATOM 0 HG23 THR A 436 2.850 -2.796 -6.238 1.00 15.00 H new ATOM 81 N GLU A 437 0.082 -2.261 -4.069 1.00 15.00 N ATOM 82 CA GLU A 437 -0.912 -3.021 -3.333 1.00 15.00 C ATOM 83 C GLU A 437 -0.565 -4.500 -3.338 1.00 15.00 C ATOM 84 O GLU A 437 -0.632 -5.170 -4.370 1.00 15.00 O ATOM 85 CB GLU A 437 -2.301 -2.815 -3.934 1.00 15.00 C ATOM 86 CG GLU A 437 -3.398 -3.561 -3.195 1.00 15.00 C ATOM 87 CD GLU A 437 -4.691 -3.621 -3.979 1.00 15.00 C ATOM 88 OE1 GLU A 437 -5.500 -2.673 -3.883 1.00 15.00 O ATOM 89 OE2 GLU A 437 -4.904 -4.625 -4.690 1.00 15.00 O1- ATOM 0 H GLU A 437 -0.118 -2.153 -5.063 1.00 15.00 H new ATOM 0 HA GLU A 437 -0.916 -2.662 -2.304 1.00 15.00 H new ATOM 0 HB2 GLU A 437 -2.534 -1.750 -3.934 1.00 15.00 H new ATOM 0 HB3 GLU A 437 -2.290 -3.139 -4.975 1.00 15.00 H new ATOM 0 HG2 GLU A 437 -3.061 -4.575 -2.979 1.00 15.00 H new ATOM 0 HG3 GLU A 437 -3.581 -3.075 -2.237 1.00 15.00 H new ATOM 96 N ARG A 438 -0.183 -4.994 -2.177 1.00 15.00 N ATOM 97 CA ARG A 438 0.175 -6.392 -2.024 1.00 15.00 C ATOM 98 C ARG A 438 -0.825 -7.096 -1.120 1.00 15.00 C ATOM 99 O ARG A 438 -0.955 -6.772 0.061 1.00 15.00 O ATOM 100 CB ARG A 438 1.591 -6.523 -1.453 1.00 15.00 C ATOM 101 CG ARG A 438 2.009 -7.956 -1.134 1.00 15.00 C ATOM 102 CD ARG A 438 2.074 -8.828 -2.375 1.00 15.00 C ATOM 103 NE ARG A 438 2.567 -10.176 -2.070 1.00 15.00 N ATOM 104 CZ ARG A 438 2.788 -11.112 -2.998 1.00 15.00 C ATOM 105 NH1 ARG A 438 2.510 -10.867 -4.270 1.00 15.00 N1+ ATOM 106 NH2 ARG A 438 3.277 -12.299 -2.650 1.00 15.00 N ATOM 0 H ARG A 438 -0.112 -4.445 -1.320 1.00 15.00 H new ATOM 0 HA ARG A 438 0.152 -6.865 -3.006 1.00 15.00 H new ATOM 0 HB2 ARG A 438 2.299 -6.101 -2.167 1.00 15.00 H new ATOM 0 HB3 ARG A 438 1.660 -5.926 -0.544 1.00 15.00 H new ATOM 0 HG2 ARG A 438 2.984 -7.948 -0.647 1.00 15.00 H new ATOM 0 HG3 ARG A 438 1.303 -8.389 -0.425 1.00 15.00 H new ATOM 0 HD2 ARG A 438 1.083 -8.897 -2.823 1.00 15.00 H new ATOM 0 HD3 ARG A 438 2.726 -8.361 -3.113 1.00 15.00 H new ATOM 0 HE ARG A 438 2.751 -10.412 -1.095 1.00 15.00 H new ATOM 0 HH11 ARG A 438 2.126 -9.962 -4.543 1.00 15.00 H new ATOM 0 HH12 ARG A 438 2.680 -11.583 -4.976 1.00 15.00 H new ATOM 0 HH21 ARG A 438 3.485 -12.498 -1.671 1.00 15.00 H new ATOM 0 HH22 ARG A 438 3.444 -13.010 -3.362 1.00 15.00 H new ATOM 120 N LYS A 439 -1.551 -8.039 -1.691 1.00 15.00 N ATOM 121 CA LYS A 439 -2.446 -8.872 -0.912 1.00 15.00 C ATOM 122 C LYS A 439 -1.702 -10.116 -0.454 1.00 15.00 C ATOM 123 O LYS A 439 -1.263 -10.926 -1.272 1.00 15.00 O ATOM 124 CB LYS A 439 -3.683 -9.266 -1.722 1.00 15.00 C ATOM 125 CG LYS A 439 -4.584 -8.095 -2.086 1.00 15.00 C ATOM 126 CD LYS A 439 -5.910 -8.578 -2.649 1.00 15.00 C ATOM 127 CE LYS A 439 -6.891 -7.434 -2.858 1.00 15.00 C ATOM 128 NZ LYS A 439 -6.542 -6.591 -4.032 1.00 15.00 N1+ ATOM 0 H LYS A 439 -1.538 -8.247 -2.690 1.00 15.00 H new ATOM 0 HA LYS A 439 -2.784 -8.304 -0.045 1.00 15.00 H new ATOM 0 HB2 LYS A 439 -3.362 -9.762 -2.638 1.00 15.00 H new ATOM 0 HB3 LYS A 439 -4.262 -9.993 -1.152 1.00 15.00 H new ATOM 0 HG2 LYS A 439 -4.762 -7.482 -1.203 1.00 15.00 H new ATOM 0 HG3 LYS A 439 -4.084 -7.461 -2.818 1.00 15.00 H new ATOM 0 HD2 LYS A 439 -5.738 -9.086 -3.598 1.00 15.00 H new ATOM 0 HD3 LYS A 439 -6.347 -9.311 -1.970 1.00 15.00 H new ATOM 0 HE2 LYS A 439 -7.894 -7.840 -2.992 1.00 15.00 H new ATOM 0 HE3 LYS A 439 -6.915 -6.812 -1.963 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 -7.389 -6.083 -4.359 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 -5.810 -5.904 -3.761 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 -6.183 -7.195 -4.799 1.00 15.00 H new ATOM 142 N THR A 440 -1.543 -10.257 0.847 1.00 15.00 N ATOM 143 CA THR A 440 -0.799 -11.371 1.396 1.00 15.00 C ATOM 144 C THR A 440 -1.730 -12.549 1.653 1.00 15.00 C ATOM 145 O THR A 440 -2.915 -12.360 1.959 1.00 15.00 O ATOM 146 CB THR A 440 -0.054 -10.970 2.692 1.00 15.00 C ATOM 147 OG1 THR A 440 0.807 -12.029 3.125 1.00 15.00 O ATOM 148 CG2 THR A 440 -1.029 -10.625 3.809 1.00 15.00 C ATOM 0 H THR A 440 -1.919 -9.613 1.543 1.00 15.00 H new ATOM 0 HA THR A 440 -0.048 -11.669 0.664 1.00 15.00 H new ATOM 0 HB THR A 440 0.542 -10.086 2.464 1.00 15.00 H new ATOM 0 HG1 THR A 440 1.272 -11.759 3.944 1.00 15.00 H new ATOM 0 HG21 THR A 440 -0.473 -10.348 4.705 1.00 15.00 H new ATOM 0 HG22 THR A 440 -1.657 -9.790 3.499 1.00 15.00 H new ATOM 0 HG23 THR A 440 -1.656 -11.490 4.025 1.00 15.00 H new ATOM 156 N ALA A 441 -1.184 -13.759 1.538 1.00 15.00 N ATOM 157 CA ALA A 441 -1.960 -14.992 1.654 1.00 15.00 C ATOM 158 C ALA A 441 -2.544 -15.178 3.054 1.00 15.00 C ATOM 159 O ALA A 441 -3.268 -16.138 3.313 1.00 15.00 O ATOM 160 CB ALA A 441 -1.097 -16.185 1.279 1.00 15.00 C ATOM 0 H ALA A 441 -0.191 -13.912 1.362 1.00 15.00 H new ATOM 0 HA ALA A 441 -2.800 -14.918 0.963 1.00 15.00 H new ATOM 0 HB1 ALA A 441 -1.683 -17.100 1.368 1.00 15.00 H new ATOM 0 HB2 ALA A 441 -0.750 -16.075 0.252 1.00 15.00 H new ATOM 0 HB3 ALA A 441 -0.238 -16.237 1.948 1.00 15.00 H new ATOM 166 N ASP A 442 -2.213 -14.261 3.954 1.00 15.00 N ATOM 167 CA ASP A 442 -2.797 -14.249 5.287 1.00 15.00 C ATOM 168 C ASP A 442 -4.228 -13.717 5.224 1.00 15.00 C ATOM 169 O ASP A 442 -5.016 -13.873 6.157 1.00 15.00 O ATOM 170 CB ASP A 442 -1.950 -13.381 6.223 1.00 15.00 C ATOM 171 CG ASP A 442 -2.442 -13.406 7.654 1.00 15.00 C ATOM 172 OD1 ASP A 442 -2.054 -14.326 8.403 1.00 15.00 O ATOM 173 OD2 ASP A 442 -3.205 -12.499 8.041 1.00 15.00 O1- ATOM 0 H ASP A 442 -1.540 -13.514 3.783 1.00 15.00 H new ATOM 0 HA ASP A 442 -2.817 -15.267 5.676 1.00 15.00 H new ATOM 0 HB2 ASP A 442 -0.916 -13.725 6.193 1.00 15.00 H new ATOM 0 HB3 ASP A 442 -1.954 -12.353 5.860 1.00 15.00 H new ATOM 178 N GLY A 443 -4.559 -13.084 4.105 1.00 15.00 N ATOM 179 CA GLY A 443 -5.876 -12.508 3.939 1.00 15.00 C ATOM 180 C GLY A 443 -5.895 -11.034 4.280 1.00 15.00 C ATOM 181 O GLY A 443 -6.899 -10.514 4.764 1.00 15.00 O ATOM 0 H GLY A 443 -3.935 -12.960 3.308 1.00 15.00 H new ATOM 0 HA2 GLY A 443 -6.206 -12.647 2.909 1.00 15.00 H new ATOM 0 HA3 GLY A 443 -6.586 -13.037 4.575 1.00 15.00 H new ATOM 185 N LYS A 444 -4.780 -10.359 4.031 1.00 15.00 N ATOM 186 CA LYS A 444 -4.660 -8.942 4.347 1.00 15.00 C ATOM 187 C LYS A 444 -4.056 -8.182 3.175 1.00 15.00 C ATOM 188 O LYS A 444 -3.119 -8.655 2.531 1.00 15.00 O ATOM 189 CB LYS A 444 -3.804 -8.724 5.600 1.00 15.00 C ATOM 190 CG LYS A 444 -4.390 -9.324 6.870 1.00 15.00 C ATOM 191 CD LYS A 444 -3.793 -8.681 8.113 1.00 15.00 C ATOM 192 CE LYS A 444 -4.339 -9.301 9.391 1.00 15.00 C ATOM 193 NZ LYS A 444 -3.654 -10.575 9.735 1.00 15.00 N1+ ATOM 0 H LYS A 444 -3.946 -10.770 3.611 1.00 15.00 H new ATOM 0 HA LYS A 444 -5.663 -8.562 4.542 1.00 15.00 H new ATOM 0 HB2 LYS A 444 -2.817 -9.154 5.431 1.00 15.00 H new ATOM 0 HB3 LYS A 444 -3.664 -7.653 5.749 1.00 15.00 H new ATOM 0 HG2 LYS A 444 -5.472 -9.190 6.873 1.00 15.00 H new ATOM 0 HG3 LYS A 444 -4.202 -10.398 6.888 1.00 15.00 H new ATOM 0 HD2 LYS A 444 -2.709 -8.788 8.092 1.00 15.00 H new ATOM 0 HD3 LYS A 444 -4.008 -7.612 8.108 1.00 15.00 H new ATOM 0 HE2 LYS A 444 -4.223 -8.595 10.213 1.00 15.00 H new ATOM 0 HE3 LYS A 444 -5.407 -9.484 9.276 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 -3.999 -10.917 10.655 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 -3.856 -11.286 9.003 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 -2.628 -10.414 9.788 1.00 15.00 H new ATOM 207 N THR A 445 -4.579 -6.997 2.918 1.00 15.00 N ATOM 208 CA THR A 445 -4.089 -6.157 1.841 1.00 15.00 C ATOM 209 C THR A 445 -3.326 -4.969 2.412 1.00 15.00 C ATOM 210 O THR A 445 -3.906 -4.146 3.119 1.00 15.00 O ATOM 211 CB THR A 445 -5.256 -5.638 0.979 1.00 15.00 C ATOM 212 OG1 THR A 445 -6.108 -6.728 0.599 1.00 15.00 O ATOM 213 CG2 THR A 445 -4.744 -4.930 -0.266 1.00 15.00 C ATOM 0 H THR A 445 -5.351 -6.592 3.447 1.00 15.00 H new ATOM 0 HA THR A 445 -3.426 -6.758 1.218 1.00 15.00 H new ATOM 0 HB THR A 445 -5.823 -4.922 1.574 1.00 15.00 H new ATOM 0 HG1 THR A 445 -6.927 -6.376 0.192 1.00 15.00 H new ATOM 0 HG21 THR A 445 -5.589 -4.574 -0.856 1.00 15.00 H new ATOM 0 HG22 THR A 445 -4.123 -4.083 0.026 1.00 15.00 H new ATOM 0 HG23 THR A 445 -4.152 -5.625 -0.862 1.00 15.00 H new ATOM 221 N TYR A 446 -2.034 -4.880 2.124 1.00 15.00 N ATOM 222 CA TYR A 446 -1.239 -3.773 2.629 1.00 15.00 C ATOM 223 C TYR A 446 -0.619 -2.982 1.486 1.00 15.00 C ATOM 224 O TYR A 446 -0.139 -3.549 0.499 1.00 15.00 O ATOM 225 CB TYR A 446 -0.159 -4.259 3.612 1.00 15.00 C ATOM 226 CG TYR A 446 0.905 -5.169 3.028 1.00 15.00 C ATOM 227 CD1 TYR A 446 0.739 -6.549 3.013 1.00 15.00 C ATOM 228 CD2 TYR A 446 2.088 -4.647 2.514 1.00 15.00 C ATOM 229 CE1 TYR A 446 1.716 -7.381 2.499 1.00 15.00 C ATOM 230 CE2 TYR A 446 3.070 -5.473 2.000 1.00 15.00 C ATOM 231 CZ TYR A 446 2.879 -6.839 1.995 1.00 15.00 C ATOM 232 OH TYR A 446 3.856 -7.668 1.484 1.00 15.00 O ATOM 0 H TYR A 446 -1.522 -5.551 1.552 1.00 15.00 H new ATOM 0 HA TYR A 446 -1.908 -3.109 3.176 1.00 15.00 H new ATOM 0 HB2 TYR A 446 0.333 -3.387 4.043 1.00 15.00 H new ATOM 0 HB3 TYR A 446 -0.650 -4.785 4.431 1.00 15.00 H new ATOM 0 HD1 TYR A 446 -0.169 -6.979 3.410 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.242 -3.578 2.517 1.00 15.00 H new ATOM 0 HE1 TYR A 446 1.569 -8.451 2.492 1.00 15.00 H new ATOM 0 HE2 TYR A 446 3.982 -5.051 1.604 1.00 15.00 H new ATOM 0 HH TYR A 446 4.611 -7.128 1.169 1.00 15.00 H new ATOM 242 N TYR A 447 -0.635 -1.670 1.635 1.00 15.00 N ATOM 243 CA TYR A 447 -0.080 -0.765 0.648 1.00 15.00 C ATOM 244 C TYR A 447 1.316 -0.332 1.052 1.00 15.00 C ATOM 245 O TYR A 447 1.502 0.336 2.073 1.00 15.00 O ATOM 246 CB TYR A 447 -0.980 0.462 0.487 1.00 15.00 C ATOM 247 CG TYR A 447 -2.281 0.162 -0.217 1.00 15.00 C ATOM 248 CD1 TYR A 447 -3.381 -0.317 0.484 1.00 15.00 C ATOM 249 CD2 TYR A 447 -2.407 0.354 -1.586 1.00 15.00 C ATOM 250 CE1 TYR A 447 -4.569 -0.598 -0.162 1.00 15.00 C ATOM 251 CE2 TYR A 447 -3.591 0.074 -2.240 1.00 15.00 C ATOM 252 CZ TYR A 447 -4.669 -0.401 -1.522 1.00 15.00 C ATOM 253 OH TYR A 447 -5.850 -0.682 -2.166 1.00 15.00 O ATOM 0 H TYR A 447 -1.035 -1.201 2.448 1.00 15.00 H new ATOM 0 HA TYR A 447 -0.023 -1.290 -0.306 1.00 15.00 H new ATOM 0 HB2 TYR A 447 -1.195 0.877 1.472 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.441 1.228 -0.071 1.00 15.00 H new ATOM 0 HD1 TYR A 447 -3.306 -0.472 1.550 1.00 15.00 H new ATOM 0 HD2 TYR A 447 -1.565 0.729 -2.149 1.00 15.00 H new ATOM 0 HE1 TYR A 447 -5.415 -0.970 0.396 1.00 15.00 H new ATOM 0 HE2 TYR A 447 -3.672 0.226 -3.306 1.00 15.00 H new ATOM 0 HH TYR A 447 -5.775 -1.545 -2.624 1.00 15.00 H new ATOM 263 N TYR A 448 2.296 -0.736 0.265 1.00 15.00 N ATOM 264 CA TYR A 448 3.675 -0.366 0.518 1.00 15.00 C ATOM 265 C TYR A 448 4.091 0.761 -0.416 1.00 15.00 C ATOM 266 O TYR A 448 4.118 0.594 -1.635 1.00 15.00 O ATOM 267 CB TYR A 448 4.597 -1.576 0.335 1.00 15.00 C ATOM 268 CG TYR A 448 6.052 -1.283 0.631 1.00 15.00 C ATOM 269 CD1 TYR A 448 6.517 -1.234 1.938 1.00 15.00 C ATOM 270 CD2 TYR A 448 6.958 -1.051 -0.397 1.00 15.00 C ATOM 271 CE1 TYR A 448 7.843 -0.959 2.213 1.00 15.00 C ATOM 272 CE2 TYR A 448 8.284 -0.773 -0.130 1.00 15.00 C ATOM 273 CZ TYR A 448 8.722 -0.730 1.175 1.00 15.00 C ATOM 274 OH TYR A 448 10.041 -0.453 1.446 1.00 15.00 O ATOM 0 H TYR A 448 2.161 -1.323 -0.558 1.00 15.00 H new ATOM 0 HA TYR A 448 3.761 -0.021 1.548 1.00 15.00 H new ATOM 0 HB2 TYR A 448 4.258 -2.382 0.986 1.00 15.00 H new ATOM 0 HB3 TYR A 448 4.509 -1.937 -0.690 1.00 15.00 H new ATOM 0 HD1 TYR A 448 5.831 -1.414 2.753 1.00 15.00 H new ATOM 0 HD2 TYR A 448 6.619 -1.089 -1.422 1.00 15.00 H new ATOM 0 HE1 TYR A 448 8.189 -0.924 3.235 1.00 15.00 H new ATOM 0 HE2 TYR A 448 8.974 -0.590 -0.940 1.00 15.00 H new ATOM 0 HH TYR A 448 10.571 -0.550 0.627 1.00 15.00 H new ATOM 284 N ASN A 449 4.406 1.906 0.158 1.00 15.00 N ATOM 285 CA ASN A 449 4.829 3.058 -0.618 1.00 15.00 C ATOM 286 C ASN A 449 6.339 3.037 -0.788 1.00 15.00 C ATOM 287 O ASN A 449 7.077 3.114 0.190 1.00 15.00 O ATOM 288 CB ASN A 449 4.403 4.355 0.070 1.00 15.00 C ATOM 289 CG ASN A 449 4.679 5.577 -0.780 1.00 15.00 C ATOM 290 OD1 ASN A 449 5.775 6.115 -0.769 1.00 15.00 O ATOM 291 ND2 ASN A 449 3.680 6.032 -1.519 1.00 15.00 N ATOM 0 H ASN A 449 4.377 2.065 1.165 1.00 15.00 H new ATOM 0 HA ASN A 449 4.353 3.012 -1.598 1.00 15.00 H new ATOM 0 HB2 ASN A 449 3.338 4.309 0.300 1.00 15.00 H new ATOM 0 HB3 ASN A 449 4.930 4.450 1.019 1.00 15.00 H new ATOM 0 HD21 ASN A 449 3.813 6.857 -2.104 1.00 15.00 H new ATOM 0 HD22 ASN A 449 2.777 5.558 -1.504 1.00 15.00 H new ATOM 298 N ASN A 450 6.791 2.935 -2.031 1.00 15.00 N ATOM 299 CA ASN A 450 8.218 2.823 -2.329 1.00 15.00 C ATOM 300 C ASN A 450 8.903 4.190 -2.231 1.00 15.00 C ATOM 301 O ASN A 450 10.130 4.287 -2.250 1.00 15.00 O ATOM 302 CB ASN A 450 8.408 2.237 -3.735 1.00 15.00 C ATOM 303 CG ASN A 450 9.736 1.510 -3.931 1.00 15.00 C ATOM 304 OD1 ASN A 450 9.819 0.573 -4.720 1.00 15.00 O ATOM 305 ND2 ASN A 450 10.780 1.929 -3.235 1.00 15.00 N ATOM 0 H ASN A 450 6.189 2.927 -2.854 1.00 15.00 H new ATOM 0 HA ASN A 450 8.676 2.159 -1.596 1.00 15.00 H new ATOM 0 HB2 ASN A 450 7.592 1.544 -3.942 1.00 15.00 H new ATOM 0 HB3 ASN A 450 8.335 3.042 -4.466 1.00 15.00 H new ATOM 0 HD21 ASN A 450 11.684 1.471 -3.347 1.00 15.00 H new ATOM 0 HD22 ASN A 450 10.681 2.710 -2.587 1.00 15.00 H new ATOM 312 N ARG A 451 8.106 5.241 -2.120 1.00 15.00 N ATOM 313 CA ARG A 451 8.629 6.598 -2.085 1.00 15.00 C ATOM 314 C ARG A 451 9.008 7.003 -0.659 1.00 15.00 C ATOM 315 O ARG A 451 9.891 7.832 -0.455 1.00 15.00 O ATOM 316 CB ARG A 451 7.596 7.570 -2.667 1.00 15.00 C ATOM 317 CG ARG A 451 8.008 9.027 -2.624 1.00 15.00 C ATOM 318 CD ARG A 451 6.832 9.938 -2.929 1.00 15.00 C ATOM 319 NE ARG A 451 6.188 9.610 -4.201 1.00 15.00 N ATOM 320 CZ ARG A 451 4.921 9.898 -4.491 1.00 15.00 C ATOM 321 NH1 ARG A 451 4.141 10.464 -3.581 1.00 15.00 N1+ ATOM 322 NH2 ARG A 451 4.434 9.587 -5.684 1.00 15.00 N ATOM 0 H ARG A 451 7.090 5.180 -2.052 1.00 15.00 H new ATOM 0 HA ARG A 451 9.533 6.637 -2.693 1.00 15.00 H new ATOM 0 HB2 ARG A 451 7.398 7.292 -3.702 1.00 15.00 H new ATOM 0 HB3 ARG A 451 6.660 7.454 -2.121 1.00 15.00 H new ATOM 0 HG2 ARG A 451 8.410 9.265 -1.639 1.00 15.00 H new ATOM 0 HG3 ARG A 451 8.806 9.204 -3.346 1.00 15.00 H new ATOM 0 HD2 ARG A 451 6.100 9.864 -2.125 1.00 15.00 H new ATOM 0 HD3 ARG A 451 7.174 10.973 -2.954 1.00 15.00 H new ATOM 0 HE ARG A 451 6.744 9.131 -4.909 1.00 15.00 H new ATOM 0 HH11 ARG A 451 4.511 10.680 -2.655 1.00 15.00 H new ATOM 0 HH12 ARG A 451 3.171 10.683 -3.806 1.00 15.00 H new ATOM 0 HH21 ARG A 451 5.029 9.129 -6.374 1.00 15.00 H new ATOM 0 HH22 ARG A 451 3.464 9.805 -5.912 1.00 15.00 H new ATOM 336 N THR A 452 8.319 6.431 0.321 1.00 15.00 N ATOM 337 CA THR A 452 8.605 6.724 1.719 1.00 15.00 C ATOM 338 C THR A 452 8.995 5.461 2.487 1.00 15.00 C ATOM 339 O THR A 452 9.411 5.537 3.644 1.00 15.00 O ATOM 340 CB THR A 452 7.396 7.386 2.405 1.00 15.00 C ATOM 341 OG1 THR A 452 6.224 6.576 2.235 1.00 15.00 O ATOM 342 CG2 THR A 452 7.144 8.776 1.840 1.00 15.00 C ATOM 0 H THR A 452 7.561 5.764 0.174 1.00 15.00 H new ATOM 0 HA THR A 452 9.447 7.416 1.733 1.00 15.00 H new ATOM 0 HB THR A 452 7.620 7.478 3.468 1.00 15.00 H new ATOM 0 HG1 THR A 452 6.022 6.489 1.280 1.00 15.00 H new ATOM 0 HG21 THR A 452 6.285 9.222 2.341 1.00 15.00 H new ATOM 0 HG22 THR A 452 8.023 9.400 2.002 1.00 15.00 H new ATOM 0 HG23 THR A 452 6.943 8.703 0.771 1.00 15.00 H new ATOM 350 N LEU A 453 8.855 4.307 1.824 1.00 15.00 N ATOM 351 CA LEU A 453 9.172 2.997 2.413 1.00 15.00 C ATOM 352 C LEU A 453 8.170 2.648 3.518 1.00 15.00 C ATOM 353 O LEU A 453 8.451 1.840 4.404 1.00 15.00 O ATOM 354 CB LEU A 453 10.610 2.980 2.953 1.00 15.00 C ATOM 355 CG LEU A 453 11.692 3.319 1.921 1.00 15.00 C ATOM 356 CD1 LEU A 453 13.071 3.280 2.561 1.00 15.00 C ATOM 357 CD2 LEU A 453 11.626 2.367 0.735 1.00 15.00 C ATOM 0 H LEU A 453 8.518 4.253 0.863 1.00 15.00 H new ATOM 0 HA LEU A 453 9.095 2.240 1.632 1.00 15.00 H new ATOM 0 HB2 LEU A 453 10.681 3.689 3.778 1.00 15.00 H new ATOM 0 HB3 LEU A 453 10.817 1.991 3.363 1.00 15.00 H new ATOM 0 HG LEU A 453 11.509 4.330 1.556 1.00 15.00 H new ATOM 0 HD11 LEU A 453 13.826 3.523 1.813 1.00 15.00 H new ATOM 0 HD12 LEU A 453 13.116 4.007 3.372 1.00 15.00 H new ATOM 0 HD13 LEU A 453 13.260 2.282 2.957 1.00 15.00 H new ATOM 0 HD21 LEU A 453 12.403 2.627 0.016 1.00 15.00 H new ATOM 0 HD22 LEU A 453 11.779 1.344 1.080 1.00 15.00 H new ATOM 0 HD23 LEU A 453 10.649 2.447 0.258 1.00 15.00 H new ATOM 369 N GLU A 454 6.973 3.213 3.406 1.00 15.00 N ATOM 370 CA GLU A 454 5.943 3.065 4.429 1.00 15.00 C ATOM 371 C GLU A 454 4.986 1.923 4.086 1.00 15.00 C ATOM 372 O GLU A 454 4.546 1.795 2.946 1.00 15.00 O ATOM 373 CB GLU A 454 5.163 4.377 4.568 1.00 15.00 C ATOM 374 CG GLU A 454 4.036 4.320 5.589 1.00 15.00 C ATOM 375 CD GLU A 454 4.535 4.099 7.001 1.00 15.00 C ATOM 376 OE1 GLU A 454 4.975 2.974 7.315 1.00 15.00 O ATOM 377 OE2 GLU A 454 4.480 5.049 7.809 1.00 15.00 O1- ATOM 0 H GLU A 454 6.690 3.783 2.609 1.00 15.00 H new ATOM 0 HA GLU A 454 6.429 2.826 5.375 1.00 15.00 H new ATOM 0 HB2 GLU A 454 5.855 5.171 4.849 1.00 15.00 H new ATOM 0 HB3 GLU A 454 4.747 4.645 3.597 1.00 15.00 H new ATOM 0 HG2 GLU A 454 3.469 5.250 5.550 1.00 15.00 H new ATOM 0 HG3 GLU A 454 3.349 3.517 5.321 1.00 15.00 H new ATOM 384 N SER A 455 4.649 1.118 5.083 1.00 15.00 N ATOM 385 CA SER A 455 3.704 0.025 4.902 1.00 15.00 C ATOM 386 C SER A 455 2.409 0.347 5.646 1.00 15.00 C ATOM 387 O SER A 455 2.418 0.565 6.861 1.00 15.00 O ATOM 388 CB SER A 455 4.305 -1.288 5.416 1.00 15.00 C ATOM 389 OG SER A 455 3.481 -2.397 5.100 1.00 15.00 O ATOM 0 H SER A 455 5.018 1.202 6.030 1.00 15.00 H new ATOM 0 HA SER A 455 3.487 -0.092 3.840 1.00 15.00 H new ATOM 0 HB2 SER A 455 5.293 -1.432 4.980 1.00 15.00 H new ATOM 0 HB3 SER A 455 4.439 -1.229 6.496 1.00 15.00 H new ATOM 0 HG SER A 455 3.893 -3.218 5.440 1.00 15.00 H new ATOM 395 N THR A 456 1.302 0.384 4.919 1.00 15.00 N ATOM 396 CA THR A 456 0.025 0.767 5.502 1.00 15.00 C ATOM 397 C THR A 456 -1.024 -0.326 5.326 1.00 15.00 C ATOM 398 O THR A 456 -1.042 -1.022 4.318 1.00 15.00 O ATOM 399 CB THR A 456 -0.502 2.070 4.868 1.00 15.00 C ATOM 400 OG1 THR A 456 -0.550 1.936 3.443 1.00 15.00 O ATOM 401 CG2 THR A 456 0.378 3.254 5.229 1.00 15.00 C ATOM 0 H THR A 456 1.262 0.154 3.926 1.00 15.00 H new ATOM 0 HA THR A 456 0.200 0.922 6.567 1.00 15.00 H new ATOM 0 HB THR A 456 -1.504 2.249 5.259 1.00 15.00 H new ATOM 0 HG1 THR A 456 -0.052 2.671 3.028 1.00 15.00 H new ATOM 0 HG21 THR A 456 -0.020 4.157 4.767 1.00 15.00 H new ATOM 0 HG22 THR A 456 0.395 3.378 6.312 1.00 15.00 H new ATOM 0 HG23 THR A 456 1.391 3.078 4.868 1.00 15.00 H new ATOM 409 N TRP A 457 -1.893 -0.468 6.315 1.00 15.00 N ATOM 410 CA TRP A 457 -3.020 -1.392 6.226 1.00 15.00 C ATOM 411 C TRP A 457 -4.273 -0.639 5.787 1.00 15.00 C ATOM 412 O TRP A 457 -5.387 -1.166 5.844 1.00 15.00 O ATOM 413 CB TRP A 457 -3.267 -2.065 7.579 1.00 15.00 C ATOM 414 CG TRP A 457 -2.138 -2.939 8.038 1.00 15.00 C ATOM 415 CD1 TRP A 457 -1.292 -2.704 9.085 1.00 15.00 C ATOM 416 CD2 TRP A 457 -1.732 -4.189 7.467 1.00 15.00 C ATOM 417 NE1 TRP A 457 -0.391 -3.735 9.201 1.00 15.00 N ATOM 418 CE2 TRP A 457 -0.638 -4.656 8.220 1.00 15.00 C ATOM 419 CE3 TRP A 457 -2.187 -4.961 6.394 1.00 15.00 C ATOM 420 CZ2 TRP A 457 0.003 -5.858 7.935 1.00 15.00 C ATOM 421 CZ3 TRP A 457 -1.549 -6.154 6.113 1.00 15.00 C ATOM 422 CH2 TRP A 457 -0.462 -6.593 6.881 1.00 15.00 C ATOM 0 H TRP A 457 -1.841 0.047 7.194 1.00 15.00 H new ATOM 0 HA TRP A 457 -2.784 -2.161 5.490 1.00 15.00 H new ATOM 0 HB2 TRP A 457 -3.446 -1.295 8.330 1.00 15.00 H new ATOM 0 HB3 TRP A 457 -4.175 -2.665 7.515 1.00 15.00 H new ATOM 0 HD1 TRP A 457 -1.326 -1.836 9.727 1.00 15.00 H new ATOM 0 HE1 TRP A 457 0.344 -3.803 9.905 1.00 15.00 H new ATOM 0 HE3 TRP A 457 -3.023 -4.631 5.795 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 0.840 -6.198 8.527 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 -1.894 -6.759 5.287 1.00 15.00 H new ATOM 0 HH2 TRP A 457 0.017 -7.529 6.635 1.00 15.00 H new ATOM 433 N GLU A 458 -4.073 0.588 5.329 1.00 15.00 N ATOM 434 CA GLU A 458 -5.171 1.462 4.940 1.00 15.00 C ATOM 435 C GLU A 458 -5.035 1.870 3.481 1.00 15.00 C ATOM 436 O GLU A 458 -3.929 2.110 3.001 1.00 15.00 O ATOM 437 CB GLU A 458 -5.175 2.706 5.828 1.00 15.00 C ATOM 438 CG GLU A 458 -5.396 2.398 7.298 1.00 15.00 C ATOM 439 CD GLU A 458 -5.202 3.610 8.179 1.00 15.00 C ATOM 440 OE1 GLU A 458 -6.145 4.414 8.311 1.00 15.00 O1- ATOM 441 OE2 GLU A 458 -4.102 3.760 8.755 1.00 15.00 O ATOM 0 H GLU A 458 -3.149 1.005 5.217 1.00 15.00 H new ATOM 0 HA GLU A 458 -6.110 0.923 5.064 1.00 15.00 H new ATOM 0 HB2 GLU A 458 -4.225 3.228 5.713 1.00 15.00 H new ATOM 0 HB3 GLU A 458 -5.956 3.385 5.486 1.00 15.00 H new ATOM 0 HG2 GLU A 458 -6.405 2.010 7.437 1.00 15.00 H new ATOM 0 HG3 GLU A 458 -4.707 1.613 7.609 1.00 15.00 H new ATOM 448 N LYS A 459 -6.160 1.960 2.785 1.00 15.00 N ATOM 449 CA LYS A 459 -6.162 2.372 1.388 1.00 15.00 C ATOM 450 C LYS A 459 -6.028 3.890 1.266 1.00 15.00 C ATOM 451 O LYS A 459 -6.893 4.640 1.728 1.00 15.00 O ATOM 452 CB LYS A 459 -7.440 1.905 0.684 1.00 15.00 C ATOM 453 CG LYS A 459 -7.553 2.396 -0.754 1.00 15.00 C ATOM 454 CD LYS A 459 -8.794 1.855 -1.448 1.00 15.00 C ATOM 455 CE LYS A 459 -8.703 0.355 -1.659 1.00 15.00 C ATOM 456 NZ LYS A 459 -9.863 -0.177 -2.418 1.00 15.00 N1+ ATOM 0 H LYS A 459 -7.084 1.753 3.165 1.00 15.00 H new ATOM 0 HA LYS A 459 -5.304 1.905 0.905 1.00 15.00 H new ATOM 0 HB2 LYS A 459 -7.473 0.816 0.692 1.00 15.00 H new ATOM 0 HB3 LYS A 459 -8.305 2.254 1.248 1.00 15.00 H new ATOM 0 HG2 LYS A 459 -7.579 3.486 -0.763 1.00 15.00 H new ATOM 0 HG3 LYS A 459 -6.666 2.093 -1.311 1.00 15.00 H new ATOM 0 HD2 LYS A 459 -9.676 2.087 -0.851 1.00 15.00 H new ATOM 0 HD3 LYS A 459 -8.920 2.352 -2.410 1.00 15.00 H new ATOM 0 HE2 LYS A 459 -7.783 0.120 -2.194 1.00 15.00 H new ATOM 0 HE3 LYS A 459 -8.645 -0.143 -0.691 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 -9.758 -1.205 -2.538 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 -10.740 0.023 -1.896 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 -9.905 0.278 -3.352 1.00 15.00 H new ATOM 470 N PRO A 460 -4.933 4.354 0.647 1.00 15.00 N ATOM 471 CA PRO A 460 -4.685 5.779 0.415 1.00 15.00 C ATOM 472 C PRO A 460 -5.665 6.362 -0.592 1.00 15.00 C ATOM 473 O PRO A 460 -6.133 5.662 -1.494 1.00 15.00 O ATOM 474 CB PRO A 460 -3.258 5.816 -0.153 1.00 15.00 C ATOM 475 CG PRO A 460 -2.683 4.470 0.129 1.00 15.00 C ATOM 476 CD PRO A 460 -3.840 3.522 0.122 1.00 15.00 C ATOM 0 HA PRO A 460 -4.805 6.368 1.324 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -3.267 6.023 -1.223 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -2.668 6.602 0.319 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -1.947 4.194 -0.626 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.173 4.457 1.092 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -4.056 3.152 -0.880 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -3.655 2.651 0.750 1.00 15.00 H new ATOM 484 N GLN A 461 -5.937 7.655 -0.465 1.00 15.00 N ATOM 485 CA GLN A 461 -6.911 8.325 -1.323 1.00 15.00 C ATOM 486 C GLN A 461 -6.461 8.322 -2.786 1.00 15.00 C ATOM 487 O GLN A 461 -7.255 8.569 -3.690 1.00 15.00 O ATOM 488 CB GLN A 461 -7.129 9.766 -0.861 1.00 15.00 C ATOM 489 CG GLN A 461 -8.304 10.446 -1.540 1.00 15.00 C ATOM 490 CD GLN A 461 -8.141 11.949 -1.639 1.00 15.00 C ATOM 491 OE1 GLN A 461 -7.500 12.578 -0.800 1.00 15.00 O ATOM 492 NE2 GLN A 461 -8.701 12.530 -2.686 1.00 15.00 N ATOM 0 H GLN A 461 -5.496 8.263 0.225 1.00 15.00 H new ATOM 0 HA GLN A 461 -7.848 7.773 -1.247 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -7.288 9.774 0.217 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -6.224 10.342 -1.054 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -8.427 10.033 -2.541 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -9.216 10.220 -0.988 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -9.225 11.971 -3.360 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -8.609 13.537 -2.820 1.00 15.00 H new ATOM 501 N GLU A 462 -5.182 8.055 -3.011 1.00 15.00 N ATOM 502 CA GLU A 462 -4.632 8.036 -4.361 1.00 15.00 C ATOM 503 C GLU A 462 -5.062 6.767 -5.106 1.00 15.00 C ATOM 504 O GLU A 462 -4.958 6.683 -6.328 1.00 15.00 O ATOM 505 CB GLU A 462 -3.102 8.127 -4.306 1.00 15.00 C ATOM 506 CG GLU A 462 -2.445 8.411 -5.650 1.00 15.00 C ATOM 507 CD GLU A 462 -2.728 9.809 -6.156 1.00 15.00 C ATOM 508 OE1 GLU A 462 -3.743 10.005 -6.855 1.00 15.00 O1- ATOM 509 OE2 GLU A 462 -1.931 10.726 -5.861 1.00 15.00 O ATOM 0 H GLU A 462 -4.505 7.848 -2.277 1.00 15.00 H new ATOM 0 HA GLU A 462 -5.020 8.898 -4.904 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -2.821 8.912 -3.604 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -2.707 7.190 -3.912 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -1.368 8.273 -5.559 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -2.798 7.686 -6.383 1.00 15.00 H new ATOM 516 N LEU A 463 -5.531 5.775 -4.356 1.00 15.00 N ATOM 517 CA LEU A 463 -5.959 4.502 -4.932 1.00 15.00 C ATOM 518 C LEU A 463 -7.426 4.259 -4.621 1.00 15.00 C ATOM 519 O LEU A 463 -7.943 3.159 -4.820 1.00 15.00 O ATOM 520 CB LEU A 463 -5.121 3.337 -4.376 1.00 15.00 C ATOM 521 CG LEU A 463 -3.653 3.277 -4.822 1.00 15.00 C ATOM 522 CD1 LEU A 463 -3.545 3.374 -6.335 1.00 15.00 C ATOM 523 CD2 LEU A 463 -2.829 4.361 -4.146 1.00 15.00 C ATOM 0 H LEU A 463 -5.625 5.828 -3.342 1.00 15.00 H new ATOM 0 HA LEU A 463 -5.815 4.553 -6.011 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -5.145 3.388 -3.287 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -5.603 2.402 -4.662 1.00 15.00 H new ATOM 0 HG LEU A 463 -3.248 2.313 -4.514 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -2.496 3.329 -6.629 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -4.085 2.545 -6.792 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -3.976 4.317 -6.671 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.794 4.294 -4.481 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.232 5.340 -4.406 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -2.870 4.228 -3.065 1.00 15.00 H new ATOM 535 N LYS A 464 -8.096 5.307 -4.168 1.00 15.00 N ATOM 536 CA LYS A 464 -9.469 5.202 -3.710 1.00 15.00 C ATOM 537 C LYS A 464 -10.413 5.008 -4.892 1.00 15.00 C ATOM 538 O LYS A 464 -11.088 3.959 -4.949 1.00 15.00 O ATOM 539 CB LYS A 464 -9.854 6.452 -2.919 1.00 15.00 C ATOM 540 CG LYS A 464 -11.048 6.250 -2.004 1.00 15.00 C ATOM 541 CD LYS A 464 -10.799 5.112 -1.025 1.00 15.00 C ATOM 542 CE LYS A 464 -11.898 5.018 0.019 1.00 15.00 C ATOM 543 NZ LYS A 464 -11.885 6.183 0.941 1.00 15.00 N1+ ATOM 544 OXT LYS A 464 -10.450 5.891 -5.777 1.00 15.00 O ATOM 0 H LYS A 464 -7.705 6.247 -4.108 1.00 15.00 H new ATOM 0 HA LYS A 464 -9.555 4.333 -3.057 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -9.000 6.771 -2.322 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -10.075 7.260 -3.617 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -11.249 7.170 -1.454 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -11.935 6.034 -2.600 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -10.734 4.171 -1.570 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -9.839 5.261 -0.530 1.00 15.00 H new ATOM 0 HE2 LYS A 464 -12.867 4.958 -0.477 1.00 15.00 H new ATOM 0 HE3 LYS A 464 -11.777 4.099 0.593 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 -12.466 5.970 1.777 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -10.908 6.379 1.239 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -12.272 7.016 0.453 1.00 15.00 H new