USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 hydrogens (19 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 NoAdj-H: B 336 M3L H2 : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD NoAdj-H: B 336 M3L H : B 336 M3L N : B 335 VAL C :(H bumps) USER MOD Single : A 5 SER OG : rot -110:sc= -0.239 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 10 SER OG : rot -37:sc= 1.24 USER MOD Single : A 13 SER OG : rot -140:sc= 0.383 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.345 K(o=-0.35,f=-3.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 47 TYR OH : rot 77:sc= 2.08 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00543 USER MOD Single : A 61 CYS SG : rot 104:sc= -11.5! USER MOD Single : A 64 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : B 332 THR OG1 : rot 42:sc= 0.0139 USER MOD Single : B 337 LYS NZ :NH3+ -139:sc= 0.743 (180deg=-1.74!) USER MOD Single : B 339 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-1.1) USER MOD Single : B 341 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 5 -1.197 6.794 22.483 1.00 0.00 N ATOM 2 CA SER A 5 -0.709 6.053 21.289 1.00 0.00 C ATOM 3 C SER A 5 0.738 5.593 21.473 1.00 0.00 C ATOM 4 O SER A 5 1.087 4.469 21.100 1.00 0.00 O ATOM 5 CB SER A 5 -0.822 6.933 20.040 1.00 0.00 C ATOM 6 OG SER A 5 -0.865 6.144 18.863 1.00 0.00 O ATOM 0 HA SER A 5 -1.333 5.168 21.165 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.721 7.546 20.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.027 7.615 19.994 1.00 0.00 H new ATOM 0 HG SER A 5 -0.031 6.259 18.361 1.00 0.00 H new ATOM 11 N ARG A 6 1.570 6.469 22.051 1.00 0.00 N ATOM 12 CA ARG A 6 2.989 6.164 22.291 1.00 0.00 C ATOM 13 C ARG A 6 3.234 5.680 23.728 1.00 0.00 C ATOM 14 O ARG A 6 4.305 5.143 24.028 1.00 0.00 O ATOM 15 CB ARG A 6 3.884 7.383 21.971 1.00 0.00 C ATOM 16 CG ARG A 6 3.410 8.716 22.556 1.00 0.00 C ATOM 17 CD ARG A 6 4.456 9.807 22.376 1.00 0.00 C ATOM 18 NE ARG A 6 3.852 11.091 22.008 1.00 0.00 N ATOM 19 CZ ARG A 6 4.284 12.289 22.431 1.00 0.00 C ATOM 20 NH1 ARG A 6 5.335 12.396 23.243 1.00 0.00 N1+ ATOM 21 NH2 ARG A 6 3.658 13.387 22.032 1.00 0.00 N ATOM 0 H ARG A 6 1.285 7.398 22.362 1.00 0.00 H new ATOM 0 HA ARG A 6 3.259 5.352 21.616 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.890 7.181 22.339 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.956 7.486 20.888 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.481 9.017 22.072 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.191 8.592 23.617 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.021 9.924 23.301 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.165 9.506 21.605 1.00 0.00 H new ATOM 0 HE ARG A 6 3.045 11.072 21.385 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.827 11.558 23.554 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.648 13.316 23.553 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.854 13.318 21.408 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.980 14.301 22.349 1.00 0.00 H new ATOM 35 N LEU A 7 2.241 5.878 24.604 1.00 0.00 N ATOM 36 CA LEU A 7 2.340 5.465 26.010 1.00 0.00 C ATOM 37 C LEU A 7 1.512 4.201 26.296 1.00 0.00 C ATOM 38 O LEU A 7 1.583 3.644 27.397 1.00 0.00 O ATOM 39 CB LEU A 7 1.912 6.614 26.947 1.00 0.00 C ATOM 40 CG LEU A 7 0.560 7.280 26.636 1.00 0.00 C ATOM 41 CD1 LEU A 7 -0.280 7.397 27.898 1.00 0.00 C ATOM 42 CD2 LEU A 7 0.774 8.648 26.007 1.00 0.00 C ATOM 0 H LEU A 7 1.356 6.324 24.362 1.00 0.00 H new ATOM 0 HA LEU A 7 3.385 5.224 26.204 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.877 6.229 27.966 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.685 7.382 26.922 1.00 0.00 H new ATOM 0 HG LEU A 7 0.022 6.654 25.924 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.232 7.870 27.659 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.461 6.403 28.308 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.251 8.001 28.634 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.192 9.105 25.793 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.331 9.282 26.696 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.336 8.538 25.080 1.00 0.00 H new ATOM 54 N SER A 8 0.737 3.755 25.297 1.00 0.00 N ATOM 55 CA SER A 8 -0.110 2.566 25.432 1.00 0.00 C ATOM 56 C SER A 8 0.605 1.303 24.939 1.00 0.00 C ATOM 57 O SER A 8 0.544 0.259 25.595 1.00 0.00 O ATOM 58 CB SER A 8 -1.424 2.759 24.668 1.00 0.00 C ATOM 59 OG SER A 8 -1.187 3.196 23.340 1.00 0.00 O ATOM 0 H SER A 8 0.681 4.204 24.383 1.00 0.00 H new ATOM 0 HA SER A 8 -0.327 2.435 26.492 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.979 1.821 24.651 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.046 3.488 25.188 1.00 0.00 H new ATOM 0 HG SER A 8 -2.042 3.309 22.875 1.00 0.00 H new ATOM 65 N ARG A 9 1.277 1.408 23.785 1.00 0.00 N ATOM 66 CA ARG A 9 2.004 0.278 23.202 1.00 0.00 C ATOM 67 C ARG A 9 3.517 0.494 23.284 1.00 0.00 C ATOM 68 O ARG A 9 4.255 -0.410 23.684 1.00 0.00 O ATOM 69 CB ARG A 9 1.579 0.066 21.745 1.00 0.00 C ATOM 70 CG ARG A 9 0.284 -0.717 21.595 1.00 0.00 C ATOM 71 CD ARG A 9 -0.305 -0.559 20.203 1.00 0.00 C ATOM 72 NE ARG A 9 -1.542 -1.328 20.037 1.00 0.00 N ATOM 73 CZ ARG A 9 -1.988 -1.818 18.871 1.00 0.00 C ATOM 74 NH1 ARG A 9 -1.308 -1.631 17.741 1.00 0.00 N1+ ATOM 75 NH2 ARG A 9 -3.124 -2.501 18.839 1.00 0.00 N ATOM 0 H ARG A 9 1.331 2.267 23.237 1.00 0.00 H new ATOM 0 HA ARG A 9 1.756 -0.614 23.777 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.464 1.037 21.264 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.374 -0.459 21.216 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.471 -1.772 21.795 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.437 -0.375 22.337 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.506 0.495 20.012 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.425 -0.884 19.462 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.105 -1.503 20.869 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.433 -1.108 17.753 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.663 -2.011 16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.653 -2.651 19.698 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.469 -2.876 17.955 1.00 0.00 H new ATOM 89 N SER A 10 3.970 1.709 22.902 1.00 0.00 N ATOM 90 CA SER A 10 5.400 2.102 22.915 1.00 0.00 C ATOM 91 C SER A 10 6.277 1.144 22.092 1.00 0.00 C ATOM 92 O SER A 10 6.586 0.028 22.530 1.00 0.00 O ATOM 93 CB SER A 10 5.940 2.216 24.356 1.00 0.00 C ATOM 94 OG SER A 10 4.999 2.838 25.214 1.00 0.00 O ATOM 0 H SER A 10 3.351 2.450 22.574 1.00 0.00 H new ATOM 0 HA SER A 10 5.453 3.084 22.445 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.180 1.223 24.736 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.867 2.789 24.354 1.00 0.00 H new ATOM 0 HG SER A 10 4.527 3.544 24.725 1.00 0.00 H new ATOM 100 N GLY A 11 6.657 1.594 20.888 1.00 0.00 N ATOM 101 CA GLY A 11 7.504 0.797 20.001 1.00 0.00 C ATOM 102 C GLY A 11 6.731 -0.192 19.137 1.00 0.00 C ATOM 103 O GLY A 11 7.289 -1.206 18.711 1.00 0.00 O ATOM 0 H GLY A 11 6.390 2.503 20.510 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.068 1.468 19.353 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.230 0.250 20.602 1.00 0.00 H new ATOM 107 N ALA A 12 5.448 0.104 18.881 1.00 0.00 N ATOM 108 CA ALA A 12 4.594 -0.764 18.063 1.00 0.00 C ATOM 109 C ALA A 12 3.777 0.048 17.056 1.00 0.00 C ATOM 110 O ALA A 12 3.689 -0.326 15.882 1.00 0.00 O ATOM 111 CB ALA A 12 3.671 -1.597 18.950 1.00 0.00 C ATOM 0 H ALA A 12 4.980 0.940 19.230 1.00 0.00 H new ATOM 0 HA ALA A 12 5.243 -1.437 17.503 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.045 -2.235 18.326 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.270 -2.217 19.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.039 -0.934 19.541 1.00 0.00 H new ATOM 117 N SER A 13 3.185 1.156 17.524 1.00 0.00 N ATOM 118 CA SER A 13 2.373 2.028 16.675 1.00 0.00 C ATOM 119 C SER A 13 2.766 3.489 16.858 1.00 0.00 C ATOM 120 O SER A 13 3.137 3.906 17.960 1.00 0.00 O ATOM 121 CB SER A 13 0.886 1.847 16.994 1.00 0.00 C ATOM 122 OG SER A 13 0.501 0.488 16.874 1.00 0.00 O ATOM 0 H SER A 13 3.256 1.468 18.493 1.00 0.00 H new ATOM 0 HA SER A 13 2.554 1.749 15.637 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.682 2.198 18.006 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.289 2.459 16.318 1.00 0.00 H new ATOM 0 HG SER A 13 -0.384 0.434 16.457 1.00 0.00 H new ATOM 128 N SER A 14 2.678 4.258 15.768 1.00 0.00 N ATOM 129 CA SER A 14 3.020 5.680 15.784 1.00 0.00 C ATOM 130 C SER A 14 1.890 6.517 15.194 1.00 0.00 C ATOM 131 O SER A 14 1.328 6.167 14.151 1.00 0.00 O ATOM 132 CB SER A 14 4.313 5.924 15.004 1.00 0.00 C ATOM 133 OG SER A 14 5.417 5.303 15.639 1.00 0.00 O ATOM 0 H SER A 14 2.370 3.914 14.858 1.00 0.00 H new ATOM 0 HA SER A 14 3.168 5.981 16.821 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.208 5.538 13.990 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.494 6.996 14.920 1.00 0.00 H new ATOM 0 HG SER A 14 6.231 5.472 15.120 1.00 0.00 H new ATOM 139 N LEU A 15 1.567 7.623 15.873 1.00 0.00 N ATOM 140 CA LEU A 15 0.503 8.529 15.433 1.00 0.00 C ATOM 141 C LEU A 15 1.074 9.737 14.689 1.00 0.00 C ATOM 142 O LEU A 15 0.474 10.215 13.721 1.00 0.00 O ATOM 143 CB LEU A 15 -0.324 8.995 16.633 1.00 0.00 C ATOM 144 CG LEU A 15 -1.829 9.127 16.376 1.00 0.00 C ATOM 145 CD1 LEU A 15 -2.564 7.880 16.844 1.00 0.00 C ATOM 146 CD2 LEU A 15 -2.380 10.362 17.072 1.00 0.00 C ATOM 0 H LEU A 15 2.031 7.912 16.734 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.140 7.981 14.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.172 8.294 17.453 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.058 9.961 16.964 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.986 9.235 15.303 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.631 7.993 16.653 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.189 7.012 16.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.400 7.740 17.912 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.450 10.441 16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.209 10.281 18.146 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.876 11.250 16.690 1.00 0.00 H new ATOM 158 N TRP A 16 2.234 10.223 15.150 1.00 0.00 N ATOM 159 CA TRP A 16 2.899 11.373 14.537 1.00 0.00 C ATOM 160 C TRP A 16 4.375 11.082 14.291 1.00 0.00 C ATOM 161 O TRP A 16 5.004 10.335 15.047 1.00 0.00 O ATOM 162 CB TRP A 16 2.756 12.613 15.426 1.00 0.00 C ATOM 163 CG TRP A 16 1.726 13.593 14.934 1.00 0.00 C ATOM 164 CD1 TRP A 16 1.855 14.456 13.881 1.00 0.00 C ATOM 165 CD2 TRP A 16 0.414 13.816 15.475 1.00 0.00 C ATOM 166 NE1 TRP A 16 0.708 15.197 13.733 1.00 0.00 N ATOM 167 CE2 TRP A 16 -0.190 14.824 14.698 1.00 0.00 C ATOM 168 CE3 TRP A 16 -0.311 13.264 16.539 1.00 0.00 C ATOM 169 CZ2 TRP A 16 -1.479 15.288 14.949 1.00 0.00 C ATOM 170 CZ3 TRP A 16 -1.590 13.727 16.787 1.00 0.00 C ATOM 171 CH2 TRP A 16 -2.162 14.729 15.995 1.00 0.00 C ATOM 0 H TRP A 16 2.731 9.833 15.950 1.00 0.00 H new ATOM 0 HA TRP A 16 2.418 11.565 13.578 1.00 0.00 H new ATOM 0 HB2 TRP A 16 2.492 12.297 16.435 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.721 13.116 15.492 1.00 0.00 H new ATOM 0 HD1 TRP A 16 2.732 14.542 13.256 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.550 15.909 13.020 1.00 0.00 H new ATOM 0 HE3 TRP A 16 0.122 12.490 17.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.924 16.061 14.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.157 13.308 17.605 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.164 15.068 16.214 1.00 0.00 H new ATOM 182 N ASP A 17 4.915 11.681 13.227 1.00 0.00 N ATOM 183 CA ASP A 17 6.322 11.502 12.855 1.00 0.00 C ATOM 184 C ASP A 17 7.026 12.867 12.701 1.00 0.00 C ATOM 185 O ASP A 17 6.347 13.878 12.499 1.00 0.00 O ATOM 186 CB ASP A 17 6.443 10.677 11.556 1.00 0.00 C ATOM 187 CG ASP A 17 5.534 11.157 10.430 1.00 0.00 C ATOM 188 OD1 ASP A 17 5.865 12.181 9.796 1.00 0.00 O ATOM 189 OD2 ASP A 17 4.494 10.508 10.188 1.00 0.00 O1- ATOM 0 H ASP A 17 4.395 12.299 12.603 1.00 0.00 H new ATOM 0 HA ASP A 17 6.817 10.952 13.656 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.477 10.708 11.213 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.212 9.635 11.777 1.00 0.00 H new ATOM 194 N PRO A 18 8.399 12.932 12.789 1.00 0.00 N ATOM 195 CA PRO A 18 9.146 14.205 12.647 1.00 0.00 C ATOM 196 C PRO A 18 8.985 14.841 11.263 1.00 0.00 C ATOM 197 O PRO A 18 8.733 14.140 10.278 1.00 0.00 O ATOM 198 CB PRO A 18 10.612 13.805 12.872 1.00 0.00 C ATOM 199 CG PRO A 18 10.555 12.491 13.569 1.00 0.00 C ATOM 200 CD PRO A 18 9.329 11.805 13.044 1.00 0.00 C ATOM 0 HA PRO A 18 8.779 14.953 13.350 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.148 13.726 11.926 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.135 14.548 13.474 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.450 11.902 13.367 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.497 12.623 14.649 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.540 11.242 12.135 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.920 11.100 13.768 1.00 0.00 H new ATOM 208 N ALA A 19 9.132 16.168 11.210 1.00 0.00 N ATOM 209 CA ALA A 19 8.998 16.921 9.959 1.00 0.00 C ATOM 210 C ALA A 19 10.357 17.164 9.280 1.00 0.00 C ATOM 211 O ALA A 19 10.452 17.943 8.323 1.00 0.00 O ATOM 212 CB ALA A 19 8.286 18.242 10.230 1.00 0.00 C ATOM 0 H ALA A 19 9.345 16.746 12.023 1.00 0.00 H new ATOM 0 HA ALA A 19 8.403 16.323 9.269 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.188 18.800 9.299 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.296 18.044 10.641 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.865 18.827 10.944 1.00 0.00 H new ATOM 218 N SER A 20 11.401 16.477 9.769 1.00 0.00 N ATOM 219 CA SER A 20 12.753 16.612 9.220 1.00 0.00 C ATOM 220 C SER A 20 13.005 15.634 8.048 1.00 0.00 C ATOM 221 O SER A 20 13.444 16.083 6.985 1.00 0.00 O ATOM 222 CB SER A 20 13.806 16.417 10.318 1.00 0.00 C ATOM 223 OG SER A 20 14.508 17.621 10.573 1.00 0.00 O ATOM 0 H SER A 20 11.331 15.821 10.547 1.00 0.00 H new ATOM 0 HA SER A 20 12.840 17.624 8.824 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.322 16.074 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.509 15.640 10.018 1.00 0.00 H new ATOM 0 HG SER A 20 15.172 17.470 11.278 1.00 0.00 H new ATOM 229 N PRO A 21 12.741 14.288 8.197 1.00 0.00 N ATOM 230 CA PRO A 21 12.966 13.330 7.102 1.00 0.00 C ATOM 231 C PRO A 21 11.794 13.273 6.101 1.00 0.00 C ATOM 232 O PRO A 21 10.774 12.617 6.349 1.00 0.00 O ATOM 233 CB PRO A 21 13.150 11.996 7.839 1.00 0.00 C ATOM 234 CG PRO A 21 12.351 12.120 9.100 1.00 0.00 C ATOM 235 CD PRO A 21 12.237 13.596 9.417 1.00 0.00 C ATOM 0 HA PRO A 21 13.820 13.605 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.799 11.161 7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.202 11.811 8.058 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.363 11.676 8.974 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.838 11.588 9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.206 13.876 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.829 13.859 10.294 1.00 0.00 H new ATOM 243 N ALA A 22 11.953 13.984 4.977 1.00 0.00 N ATOM 244 CA ALA A 22 10.932 14.032 3.926 1.00 0.00 C ATOM 245 C ALA A 22 11.549 13.902 2.516 1.00 0.00 C ATOM 246 O ALA A 22 11.086 13.060 1.741 1.00 0.00 O ATOM 247 CB ALA A 22 10.098 15.311 4.036 1.00 0.00 C ATOM 0 H ALA A 22 12.786 14.537 4.773 1.00 0.00 H new ATOM 0 HA ALA A 22 10.275 13.175 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.347 15.325 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.604 15.341 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.749 16.180 3.933 1.00 0.00 H new ATOM 253 N PRO A 23 12.599 14.716 2.140 1.00 0.00 N ATOM 254 CA PRO A 23 13.225 14.636 0.804 1.00 0.00 C ATOM 255 C PRO A 23 14.150 13.426 0.654 1.00 0.00 C ATOM 256 O PRO A 23 14.933 13.118 1.558 1.00 0.00 O ATOM 257 CB PRO A 23 14.042 15.938 0.692 1.00 0.00 C ATOM 258 CG PRO A 23 13.672 16.756 1.888 1.00 0.00 C ATOM 259 CD PRO A 23 13.250 15.776 2.941 1.00 0.00 C ATOM 0 HA PRO A 23 12.471 14.521 0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.112 15.728 0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.808 16.468 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.517 17.355 2.228 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.864 17.449 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.100 15.395 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.563 16.222 3.660 1.00 0.00 H new ATOM 267 N THR A 24 14.044 12.751 -0.495 1.00 0.00 N ATOM 268 CA THR A 24 14.861 11.572 -0.788 1.00 0.00 C ATOM 269 C THR A 24 15.342 11.592 -2.236 1.00 0.00 C ATOM 270 O THR A 24 14.556 11.841 -3.155 1.00 0.00 O ATOM 271 CB THR A 24 14.090 10.253 -0.534 1.00 0.00 C ATOM 272 OG1 THR A 24 12.910 10.497 0.246 1.00 0.00 O ATOM 273 CG2 THR A 24 14.971 9.241 0.187 1.00 0.00 C ATOM 0 H THR A 24 13.396 13.004 -1.241 1.00 0.00 H new ATOM 0 HA THR A 24 15.716 11.610 -0.113 1.00 0.00 H new ATOM 0 HB THR A 24 13.801 9.847 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.436 9.652 0.394 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.408 8.323 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.848 9.023 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.288 9.652 1.145 1.00 0.00 H new ATOM 281 N SER A 25 16.640 11.328 -2.425 1.00 0.00 N ATOM 282 CA SER A 25 17.250 11.311 -3.754 1.00 0.00 C ATOM 283 C SER A 25 17.419 9.882 -4.258 1.00 0.00 C ATOM 284 O SER A 25 17.881 9.007 -3.518 1.00 0.00 O ATOM 285 CB SER A 25 18.606 12.017 -3.724 1.00 0.00 C ATOM 286 OG SER A 25 18.461 13.388 -3.388 1.00 0.00 O ATOM 0 H SER A 25 17.290 11.122 -1.666 1.00 0.00 H new ATOM 0 HA SER A 25 16.587 11.841 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.258 11.529 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.088 11.927 -4.698 1.00 0.00 H new ATOM 0 HG SER A 25 19.342 13.816 -3.374 1.00 0.00 H new ATOM 292 N GLY A 26 17.041 9.658 -5.521 1.00 0.00 N ATOM 293 CA GLY A 26 17.149 8.338 -6.126 1.00 0.00 C ATOM 294 C GLY A 26 16.387 8.234 -7.445 1.00 0.00 C ATOM 295 O GLY A 26 15.189 8.534 -7.473 1.00 0.00 O ATOM 0 H GLY A 26 16.659 10.375 -6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.200 8.106 -6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.768 7.591 -5.430 1.00 0.00 H new ATOM 299 N PRO A 27 17.046 7.809 -8.569 1.00 0.00 N ATOM 300 CA PRO A 27 16.378 7.683 -9.881 1.00 0.00 C ATOM 301 C PRO A 27 15.491 6.431 -10.008 1.00 0.00 C ATOM 302 O PRO A 27 14.794 6.261 -11.015 1.00 0.00 O ATOM 303 CB PRO A 27 17.550 7.618 -10.866 1.00 0.00 C ATOM 304 CG PRO A 27 18.682 7.024 -10.093 1.00 0.00 C ATOM 305 CD PRO A 27 18.486 7.440 -8.655 1.00 0.00 C ATOM 0 HA PRO A 27 15.690 8.510 -10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.302 7.006 -11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.806 8.610 -11.239 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.687 5.938 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 27 19.640 7.380 -10.473 1.00 0.00 H new ATOM 0 HD2 PRO A 27 18.730 6.628 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 27 19.128 8.281 -8.394 1.00 0.00 H new ATOM 313 N ARG A 28 15.524 5.568 -8.985 1.00 0.00 N ATOM 314 CA ARG A 28 14.731 4.333 -8.973 1.00 0.00 C ATOM 315 C ARG A 28 13.414 4.526 -8.201 1.00 0.00 C ATOM 316 O ARG A 28 13.385 5.281 -7.224 1.00 0.00 O ATOM 317 CB ARG A 28 15.534 3.155 -8.376 1.00 0.00 C ATOM 318 CG ARG A 28 16.299 3.472 -7.085 1.00 0.00 C ATOM 319 CD ARG A 28 16.575 2.221 -6.261 1.00 0.00 C ATOM 320 NE ARG A 28 17.676 1.422 -6.815 1.00 0.00 N ATOM 321 CZ ARG A 28 18.382 0.513 -6.126 1.00 0.00 C ATOM 322 NH1 ARG A 28 18.121 0.266 -4.842 1.00 0.00 N1+ ATOM 323 NH2 ARG A 28 19.357 -0.154 -6.728 1.00 0.00 N ATOM 0 H ARG A 28 16.095 5.704 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 28 14.491 4.092 -10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.848 2.331 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.245 2.805 -9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.243 3.958 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.724 4.180 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.816 2.508 -5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.673 1.611 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 28 17.921 1.569 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.373 0.772 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.669 -0.429 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.567 0.025 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.897 -0.846 -6.209 1.00 0.00 H new ATOM 337 N PRO A 29 12.299 3.849 -8.623 1.00 0.00 N ATOM 338 CA PRO A 29 10.992 3.967 -7.943 1.00 0.00 C ATOM 339 C PRO A 29 10.967 3.272 -6.573 1.00 0.00 C ATOM 340 O PRO A 29 11.323 2.094 -6.457 1.00 0.00 O ATOM 341 CB PRO A 29 10.015 3.294 -8.917 1.00 0.00 C ATOM 342 CG PRO A 29 10.844 2.334 -9.705 1.00 0.00 C ATOM 343 CD PRO A 29 12.220 2.940 -9.797 1.00 0.00 C ATOM 0 HA PRO A 29 10.744 5.006 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.218 2.778 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.539 4.028 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.880 1.360 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.421 2.178 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.995 2.175 -9.761 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.353 3.485 -10.732 1.00 0.00 H new ATOM 351 N ARG A 30 10.549 4.022 -5.548 1.00 0.00 N ATOM 352 CA ARG A 30 10.474 3.510 -4.176 1.00 0.00 C ATOM 353 C ARG A 30 9.165 3.936 -3.501 1.00 0.00 C ATOM 354 O ARG A 30 8.411 4.745 -4.049 1.00 0.00 O ATOM 355 CB ARG A 30 11.677 4.012 -3.364 1.00 0.00 C ATOM 356 CG ARG A 30 12.901 3.117 -3.470 1.00 0.00 C ATOM 357 CD ARG A 30 14.154 3.829 -2.983 1.00 0.00 C ATOM 358 NE ARG A 30 15.217 2.886 -2.621 1.00 0.00 N ATOM 359 CZ ARG A 30 16.324 3.209 -1.936 1.00 0.00 C ATOM 360 NH1 ARG A 30 16.540 4.458 -1.526 1.00 0.00 N1+ ATOM 361 NH2 ARG A 30 17.221 2.273 -1.660 1.00 0.00 N ATOM 0 H ARG A 30 10.255 4.994 -5.645 1.00 0.00 H new ATOM 0 HA ARG A 30 10.496 2.421 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.940 5.014 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.388 4.095 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.744 2.212 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.037 2.806 -4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.515 4.501 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.907 4.446 -2.119 1.00 0.00 H new ATOM 0 HE ARG A 30 15.107 1.914 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 30 15.858 5.188 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.388 4.685 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.068 1.313 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.065 2.513 -1.139 1.00 0.00 H new ATOM 375 N LEU A 31 8.913 3.389 -2.299 1.00 0.00 N ATOM 376 CA LEU A 31 7.708 3.699 -1.520 1.00 0.00 C ATOM 377 C LEU A 31 7.857 5.055 -0.820 1.00 0.00 C ATOM 378 O LEU A 31 8.682 5.213 0.087 1.00 0.00 O ATOM 379 CB LEU A 31 7.451 2.581 -0.484 1.00 0.00 C ATOM 380 CG LEU A 31 6.489 1.434 -0.890 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.229 1.955 -1.565 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.180 0.408 -1.779 1.00 0.00 C ATOM 0 H LEU A 31 9.538 2.723 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 31 6.855 3.756 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.412 2.137 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.058 3.045 0.421 1.00 0.00 H new ATOM 0 HG LEU A 31 6.192 0.940 0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.586 1.116 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.697 2.617 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.500 2.505 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.474 -0.380 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.536 0.894 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.025 -0.026 -1.245 1.00 0.00 H new ATOM 394 N TRP A 32 7.054 6.033 -1.266 1.00 0.00 N ATOM 395 CA TRP A 32 7.094 7.398 -0.720 1.00 0.00 C ATOM 396 C TRP A 32 5.700 8.037 -0.731 1.00 0.00 C ATOM 397 O TRP A 32 4.831 7.614 -1.494 1.00 0.00 O ATOM 398 CB TRP A 32 8.101 8.264 -1.522 1.00 0.00 C ATOM 399 CG TRP A 32 7.704 8.535 -2.954 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.603 7.623 -3.965 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.356 9.807 -3.527 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.206 8.242 -5.122 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.052 9.581 -4.884 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.269 11.113 -3.028 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.670 10.608 -5.743 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.891 12.130 -3.884 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.595 11.873 -5.228 1.00 0.00 C ATOM 0 H TRP A 32 6.366 5.902 -2.007 1.00 0.00 H new ATOM 0 HA TRP A 32 7.426 7.344 0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.228 9.217 -1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.071 7.767 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.806 6.567 -3.867 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.050 7.779 -6.017 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.493 11.322 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.441 10.413 -6.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.823 13.141 -3.510 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.302 12.690 -5.871 1.00 0.00 H new ATOM 418 N GLU A 33 5.513 9.082 0.095 1.00 0.00 N ATOM 419 CA GLU A 33 4.227 9.793 0.196 1.00 0.00 C ATOM 420 C GLU A 33 3.851 10.473 -1.129 1.00 0.00 C ATOM 421 O GLU A 33 4.553 11.374 -1.602 1.00 0.00 O ATOM 422 CB GLU A 33 4.277 10.827 1.325 1.00 0.00 C ATOM 423 CG GLU A 33 4.039 10.234 2.705 1.00 0.00 C ATOM 424 CD GLU A 33 3.851 11.297 3.771 1.00 0.00 C ATOM 425 OE1 GLU A 33 4.868 11.778 4.314 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.688 11.646 4.063 1.00 0.00 O ATOM 0 H GLU A 33 6.241 9.454 0.705 1.00 0.00 H new ATOM 0 HA GLU A 33 3.458 9.054 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.250 11.319 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.528 11.596 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.157 9.595 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.883 9.599 2.975 1.00 0.00 H new ATOM 433 N GLY A 34 2.739 10.013 -1.714 1.00 0.00 N ATOM 434 CA GLY A 34 2.261 10.543 -2.982 1.00 0.00 C ATOM 435 C GLY A 34 2.675 9.674 -4.156 1.00 0.00 C ATOM 436 O GLY A 34 2.824 10.170 -5.276 1.00 0.00 O ATOM 0 H GLY A 34 2.157 9.273 -1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.174 10.622 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.650 11.551 -3.123 1.00 0.00 H new ATOM 440 N GLN A 35 2.859 8.375 -3.888 1.00 0.00 N ATOM 441 CA GLN A 35 3.260 7.416 -4.908 1.00 0.00 C ATOM 442 C GLN A 35 2.046 6.594 -5.340 1.00 0.00 C ATOM 443 O GLN A 35 1.440 5.897 -4.519 1.00 0.00 O ATOM 444 CB GLN A 35 4.400 6.521 -4.351 1.00 0.00 C ATOM 445 CG GLN A 35 4.548 5.136 -5.007 1.00 0.00 C ATOM 446 CD GLN A 35 5.896 4.916 -5.674 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.477 5.827 -6.271 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.392 3.688 -5.586 1.00 0.00 N ATOM 0 H GLN A 35 2.733 7.968 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 35 3.641 7.933 -5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.343 7.057 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.236 6.380 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.398 4.367 -4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.760 5.010 -5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.878 2.965 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.287 3.467 -6.022 1.00 0.00 H new ATOM 457 N ASP A 36 1.689 6.688 -6.632 1.00 0.00 N ATOM 458 CA ASP A 36 0.559 5.920 -7.172 1.00 0.00 C ATOM 459 C ASP A 36 0.953 4.450 -7.224 1.00 0.00 C ATOM 460 O ASP A 36 1.813 4.044 -8.016 1.00 0.00 O ATOM 461 CB ASP A 36 0.135 6.426 -8.556 1.00 0.00 C ATOM 462 CG ASP A 36 -0.442 7.828 -8.517 1.00 0.00 C ATOM 463 OD1 ASP A 36 -1.609 7.978 -8.097 1.00 0.00 O1- ATOM 464 OD2 ASP A 36 0.272 8.776 -8.906 1.00 0.00 O ATOM 0 H ASP A 36 2.162 7.282 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.304 6.049 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.997 6.411 -9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.605 5.745 -8.976 1.00 0.00 H new ATOM 469 N VAL A 37 0.321 3.673 -6.357 1.00 0.00 N ATOM 470 CA VAL A 37 0.617 2.255 -6.220 1.00 0.00 C ATOM 471 C VAL A 37 -0.543 1.365 -6.633 1.00 0.00 C ATOM 472 O VAL A 37 -1.685 1.816 -6.762 1.00 0.00 O ATOM 473 CB VAL A 37 0.982 1.911 -4.748 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.342 2.490 -4.383 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.107 2.376 -3.760 1.00 0.00 C ATOM 0 H VAL A 37 -0.410 4.007 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 37 1.458 2.063 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 37 1.039 0.825 -4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.579 2.238 -3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.104 2.073 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.318 3.574 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.189 2.116 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.230 3.456 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.050 1.885 -4.000 1.00 0.00 H new ATOM 485 N LEU A 38 -0.213 0.093 -6.831 1.00 0.00 N ATOM 486 CA LEU A 38 -1.184 -0.917 -7.181 1.00 0.00 C ATOM 487 C LEU A 38 -1.204 -1.966 -6.088 1.00 0.00 C ATOM 488 O LEU A 38 -0.327 -2.836 -6.004 1.00 0.00 O ATOM 489 CB LEU A 38 -0.856 -1.520 -8.549 1.00 0.00 C ATOM 490 CG LEU A 38 -1.020 -0.560 -9.732 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.336 -1.112 -10.971 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.492 -0.296 -10.001 1.00 0.00 C ATOM 0 H LEU A 38 0.741 -0.260 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.178 -0.477 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.172 -1.882 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.497 -2.387 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.543 0.386 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.465 -0.415 -11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.727 -1.245 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.779 -2.073 -11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.591 0.388 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.993 -1.235 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.949 0.149 -9.117 1.00 0.00 H new ATOM 504 N ALA A 39 -2.220 -1.848 -5.243 1.00 0.00 N ATOM 505 CA ALA A 39 -2.417 -2.738 -4.118 1.00 0.00 C ATOM 506 C ALA A 39 -3.312 -3.905 -4.525 1.00 0.00 C ATOM 507 O ALA A 39 -4.513 -3.738 -4.751 1.00 0.00 O ATOM 508 CB ALA A 39 -3.022 -1.951 -2.963 1.00 0.00 C ATOM 0 H ALA A 39 -2.934 -1.124 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.461 -3.151 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.174 -2.614 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.346 -1.144 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.979 -1.531 -3.271 1.00 0.00 H new ATOM 514 N ARG A 40 -2.704 -5.084 -4.636 1.00 0.00 N ATOM 515 CA ARG A 40 -3.412 -6.302 -5.033 1.00 0.00 C ATOM 516 C ARG A 40 -4.379 -6.762 -3.933 1.00 0.00 C ATOM 517 O ARG A 40 -3.980 -6.910 -2.773 1.00 0.00 O ATOM 518 CB ARG A 40 -2.394 -7.403 -5.323 1.00 0.00 C ATOM 519 CG ARG A 40 -2.652 -8.178 -6.611 1.00 0.00 C ATOM 520 CD ARG A 40 -1.763 -7.691 -7.749 1.00 0.00 C ATOM 521 NE ARG A 40 -0.493 -8.423 -7.806 1.00 0.00 N ATOM 522 CZ ARG A 40 0.699 -7.918 -7.455 1.00 0.00 C ATOM 523 NH1 ARG A 40 0.813 -6.669 -7.006 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 1.785 -8.671 -7.555 1.00 0.00 N ATOM 0 H ARG A 40 -1.710 -5.223 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.996 -6.091 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.400 -6.958 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.387 -8.103 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.474 -9.240 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.699 -8.072 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.291 -7.806 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.563 -6.627 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.518 -9.387 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.015 -6.079 -6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.728 -6.303 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.712 -9.629 -7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.694 -8.293 -7.290 1.00 0.00 H new ATOM 538 N TRP A 41 -5.646 -6.977 -4.309 1.00 0.00 N ATOM 539 CA TRP A 41 -6.676 -7.412 -3.362 1.00 0.00 C ATOM 540 C TRP A 41 -6.730 -8.948 -3.271 1.00 0.00 C ATOM 541 O TRP A 41 -6.333 -9.649 -4.205 1.00 0.00 O ATOM 542 CB TRP A 41 -8.036 -6.794 -3.742 1.00 0.00 C ATOM 543 CG TRP A 41 -9.140 -6.992 -2.722 1.00 0.00 C ATOM 544 CD1 TRP A 41 -9.033 -6.995 -1.354 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.526 -7.202 -3.006 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.264 -7.205 -0.782 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.198 -7.332 -1.776 1.00 0.00 C ATOM 548 CE3 TRP A 41 -11.261 -7.293 -4.187 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.572 -7.549 -1.699 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.625 -7.508 -4.111 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.269 -7.634 -2.873 1.00 0.00 C ATOM 0 H TRP A 41 -5.981 -6.856 -5.265 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.420 -7.053 -2.365 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.899 -5.725 -3.903 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.359 -7.221 -4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.113 -6.853 -0.806 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.452 -7.258 0.219 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.773 -7.197 -5.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -13.070 -7.647 -0.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.203 -7.580 -5.020 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.336 -7.801 -2.845 1.00 0.00 H new ATOM 562 N THR A 42 -7.228 -9.446 -2.127 1.00 0.00 N ATOM 563 CA THR A 42 -7.311 -10.894 -1.839 1.00 0.00 C ATOM 564 C THR A 42 -8.332 -11.654 -2.699 1.00 0.00 C ATOM 565 O THR A 42 -8.369 -12.890 -2.662 1.00 0.00 O ATOM 566 CB THR A 42 -7.644 -11.145 -0.353 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.672 -10.247 0.086 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.408 -10.973 0.519 1.00 0.00 C ATOM 0 H THR A 42 -7.585 -8.859 -1.373 1.00 0.00 H new ATOM 0 HA THR A 42 -6.323 -11.280 -2.089 1.00 0.00 H new ATOM 0 HB THR A 42 -7.998 -12.172 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.875 -10.418 1.029 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.670 -11.155 1.561 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.642 -11.683 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.026 -9.957 0.413 1.00 0.00 H new ATOM 576 N ASP A 43 -9.148 -10.929 -3.470 1.00 0.00 N ATOM 577 CA ASP A 43 -10.160 -11.558 -4.329 1.00 0.00 C ATOM 578 C ASP A 43 -9.614 -11.849 -5.732 1.00 0.00 C ATOM 579 O ASP A 43 -10.261 -12.544 -6.523 1.00 0.00 O ATOM 580 CB ASP A 43 -11.402 -10.671 -4.424 1.00 0.00 C ATOM 581 CG ASP A 43 -12.636 -11.341 -3.852 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.768 -11.382 -2.611 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -13.470 -11.826 -4.645 1.00 0.00 O ATOM 0 H ASP A 43 -9.129 -9.910 -3.518 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.431 -12.510 -3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.220 -9.737 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.582 -10.414 -5.468 1.00 0.00 H new ATOM 588 N GLY A 44 -8.420 -11.318 -6.025 1.00 0.00 N ATOM 589 CA GLY A 44 -7.797 -11.524 -7.326 1.00 0.00 C ATOM 590 C GLY A 44 -7.727 -10.255 -8.161 1.00 0.00 C ATOM 591 O GLY A 44 -6.984 -10.201 -9.146 1.00 0.00 O ATOM 0 H GLY A 44 -7.874 -10.747 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.789 -11.913 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.356 -12.282 -7.874 1.00 0.00 H new ATOM 595 N LEU A 45 -8.502 -9.236 -7.764 1.00 0.00 N ATOM 596 CA LEU A 45 -8.539 -7.957 -8.471 1.00 0.00 C ATOM 597 C LEU A 45 -7.540 -6.962 -7.880 1.00 0.00 C ATOM 598 O LEU A 45 -7.210 -7.028 -6.693 1.00 0.00 O ATOM 599 CB LEU A 45 -9.950 -7.374 -8.419 1.00 0.00 C ATOM 600 CG LEU A 45 -10.952 -8.035 -9.365 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.273 -8.280 -8.656 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.157 -7.177 -10.601 1.00 0.00 C ATOM 0 H LEU A 45 -9.115 -9.278 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.258 -8.138 -9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.325 -7.458 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.897 -6.311 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.550 -8.999 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.974 -8.751 -9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -12.110 -8.935 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.684 -7.330 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.873 -7.661 -11.265 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.539 -6.199 -10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.207 -7.054 -11.120 1.00 0.00 H new ATOM 614 N LEU A 46 -7.071 -6.045 -8.733 1.00 0.00 N ATOM 615 CA LEU A 46 -6.109 -5.011 -8.345 1.00 0.00 C ATOM 616 C LEU A 46 -6.827 -3.769 -7.791 1.00 0.00 C ATOM 617 O LEU A 46 -8.025 -3.585 -8.018 1.00 0.00 O ATOM 618 CB LEU A 46 -5.261 -4.637 -9.578 1.00 0.00 C ATOM 619 CG LEU A 46 -4.049 -3.729 -9.354 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.969 -4.425 -8.535 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.512 -3.309 -10.705 1.00 0.00 C ATOM 0 H LEU A 46 -7.349 -6.000 -9.713 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.465 -5.397 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.909 -5.561 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.916 -4.151 -10.302 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.358 -2.852 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.125 -3.749 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.373 -4.704 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.635 -5.320 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.647 -2.661 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.216 -4.193 -11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.285 -2.770 -11.253 1.00 0.00 H new ATOM 633 N TYR A 47 -6.064 -2.918 -7.090 1.00 0.00 N ATOM 634 CA TYR A 47 -6.587 -1.691 -6.483 1.00 0.00 C ATOM 635 C TYR A 47 -5.584 -0.555 -6.683 1.00 0.00 C ATOM 636 O TYR A 47 -4.397 -0.719 -6.391 1.00 0.00 O ATOM 637 CB TYR A 47 -6.830 -1.883 -4.966 1.00 0.00 C ATOM 638 CG TYR A 47 -8.120 -2.592 -4.525 1.00 0.00 C ATOM 639 CD1 TYR A 47 -9.116 -3.000 -5.416 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.338 -2.828 -3.171 1.00 0.00 C ATOM 641 CE1 TYR A 47 -10.273 -3.611 -4.971 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.491 -3.443 -2.722 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.455 -3.830 -3.625 1.00 0.00 C ATOM 644 OH TYR A 47 -11.610 -4.429 -3.180 1.00 0.00 O ATOM 0 H TYR A 47 -5.067 -3.063 -6.929 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.535 -1.450 -6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.987 -2.442 -4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.814 -0.899 -4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.979 -2.834 -6.474 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.589 -2.524 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.031 -3.915 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.635 -3.619 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.565 -5.393 -3.350 1.00 0.00 H new ATOM 654 N LEU A 48 -6.059 0.589 -7.188 1.00 0.00 N ATOM 655 CA LEU A 48 -5.194 1.751 -7.414 1.00 0.00 C ATOM 656 C LEU A 48 -5.239 2.692 -6.212 1.00 0.00 C ATOM 657 O LEU A 48 -6.304 2.920 -5.631 1.00 0.00 O ATOM 658 CB LEU A 48 -5.598 2.488 -8.708 1.00 0.00 C ATOM 659 CG LEU A 48 -4.803 3.767 -9.053 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.411 3.435 -9.579 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.568 4.606 -10.067 1.00 0.00 C ATOM 0 H LEU A 48 -7.035 0.734 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.169 1.401 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.501 1.792 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.653 2.752 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.682 4.343 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.880 4.358 -9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.859 2.880 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.498 2.829 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.997 5.504 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.722 4.026 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.534 4.889 -9.650 1.00 0.00 H new ATOM 673 N GLY A 49 -4.070 3.234 -5.860 1.00 0.00 N ATOM 674 CA GLY A 49 -3.976 4.142 -4.725 1.00 0.00 C ATOM 675 C GLY A 49 -2.723 4.995 -4.727 1.00 0.00 C ATOM 676 O GLY A 49 -1.895 4.892 -5.630 1.00 0.00 O ATOM 0 H GLY A 49 -3.188 3.060 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.849 4.795 -4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.008 3.561 -3.803 1.00 0.00 H new ATOM 680 N THR A 50 -2.620 5.865 -3.719 1.00 0.00 N ATOM 681 CA THR A 50 -1.460 6.738 -3.539 1.00 0.00 C ATOM 682 C THR A 50 -0.952 6.587 -2.113 1.00 0.00 C ATOM 683 O THR A 50 -1.745 6.477 -1.177 1.00 0.00 O ATOM 684 CB THR A 50 -1.760 8.226 -3.834 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.062 8.376 -4.418 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.708 8.800 -4.778 1.00 0.00 C ATOM 0 H THR A 50 -3.339 5.983 -3.005 1.00 0.00 H new ATOM 0 HA THR A 50 -0.704 6.430 -4.261 1.00 0.00 H new ATOM 0 HB THR A 50 -1.733 8.770 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.234 9.324 -4.596 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.931 9.848 -4.977 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.277 8.720 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.717 8.243 -5.715 1.00 0.00 H new ATOM 694 N ILE A 51 0.370 6.595 -1.955 1.00 0.00 N ATOM 695 CA ILE A 51 1.006 6.393 -0.645 1.00 0.00 C ATOM 696 C ILE A 51 0.830 7.578 0.306 1.00 0.00 C ATOM 697 O ILE A 51 1.287 8.689 0.039 1.00 0.00 O ATOM 698 CB ILE A 51 2.516 6.031 -0.814 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.659 4.762 -1.689 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.233 5.842 0.538 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.097 3.495 -1.060 1.00 0.00 C ATOM 0 H ILE A 51 1.029 6.740 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 51 0.489 5.554 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 51 3.000 6.872 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.156 4.934 -2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.715 4.605 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.279 5.592 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.172 6.765 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.755 5.035 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.240 2.656 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.615 3.293 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.033 3.627 -0.865 1.00 0.00 H new ATOM 713 N LYS A 52 0.151 7.295 1.418 1.00 0.00 N ATOM 714 CA LYS A 52 -0.088 8.274 2.469 1.00 0.00 C ATOM 715 C LYS A 52 0.957 8.125 3.579 1.00 0.00 C ATOM 716 O LYS A 52 1.328 9.109 4.227 1.00 0.00 O ATOM 717 CB LYS A 52 -1.498 8.103 3.044 1.00 0.00 C ATOM 718 CG LYS A 52 -2.240 9.419 3.249 1.00 0.00 C ATOM 719 CD LYS A 52 -3.015 9.853 2.001 1.00 0.00 C ATOM 720 CE LYS A 52 -2.670 11.277 1.585 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.259 12.292 2.506 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.248 6.377 1.612 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.004 9.273 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.079 7.469 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.431 7.581 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.931 9.317 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.526 10.197 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.793 9.171 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.085 9.781 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.587 11.395 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.031 11.455 0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.998 13.246 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.295 12.199 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.895 12.140 3.468 1.00 0.00 H new ATOM 735 N LYS A 53 1.423 6.879 3.788 1.00 0.00 N ATOM 736 CA LYS A 53 2.431 6.571 4.807 1.00 0.00 C ATOM 737 C LYS A 53 3.380 5.479 4.308 1.00 0.00 C ATOM 738 O LYS A 53 3.051 4.742 3.372 1.00 0.00 O ATOM 739 CB LYS A 53 1.753 6.120 6.105 1.00 0.00 C ATOM 740 CG LYS A 53 2.264 6.818 7.369 1.00 0.00 C ATOM 741 CD LYS A 53 1.138 7.112 8.364 1.00 0.00 C ATOM 742 CE LYS A 53 0.566 5.839 8.982 1.00 0.00 C ATOM 743 NZ LYS A 53 1.444 5.292 10.054 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.111 6.066 3.257 1.00 0.00 H new ATOM 0 HA LYS A 53 3.008 7.474 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.680 6.294 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.893 5.045 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.016 6.192 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.755 7.751 7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.515 7.760 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.342 7.657 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.421 6.049 9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.433 5.087 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.017 4.428 10.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.378 5.067 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.551 5.999 10.810 1.00 0.00 H new ATOM 757 N VAL A 54 4.549 5.375 4.947 1.00 0.00 N ATOM 758 CA VAL A 54 5.564 4.383 4.568 1.00 0.00 C ATOM 759 C VAL A 54 6.171 3.720 5.810 1.00 0.00 C ATOM 760 O VAL A 54 6.499 4.390 6.794 1.00 0.00 O ATOM 761 CB VAL A 54 6.694 5.020 3.692 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.849 4.049 3.446 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.144 5.493 2.350 1.00 0.00 C ATOM 0 H VAL A 54 4.818 5.967 5.732 1.00 0.00 H new ATOM 0 HA VAL A 54 5.063 3.621 3.971 1.00 0.00 H new ATOM 0 HB VAL A 54 7.075 5.873 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.609 4.535 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.286 3.754 4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.477 3.165 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.949 5.931 1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.720 4.645 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.369 6.241 2.518 1.00 0.00 H new ATOM 773 N ASP A 55 6.309 2.394 5.730 1.00 0.00 N ATOM 774 CA ASP A 55 6.890 1.585 6.800 1.00 0.00 C ATOM 775 C ASP A 55 8.079 0.781 6.253 1.00 0.00 C ATOM 776 O ASP A 55 7.936 -0.380 5.845 1.00 0.00 O ATOM 777 CB ASP A 55 5.824 0.656 7.408 1.00 0.00 C ATOM 778 CG ASP A 55 5.116 1.287 8.592 1.00 0.00 C ATOM 779 OD1 ASP A 55 4.147 2.041 8.371 1.00 0.00 O ATOM 780 OD2 ASP A 55 5.533 1.025 9.740 1.00 0.00 O1- ATOM 0 H ASP A 55 6.019 1.851 4.917 1.00 0.00 H new ATOM 0 HA ASP A 55 7.251 2.241 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.090 0.400 6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.294 -0.275 7.723 1.00 0.00 H new ATOM 785 N SER A 56 9.256 1.426 6.230 1.00 0.00 N ATOM 786 CA SER A 56 10.494 0.809 5.721 1.00 0.00 C ATOM 787 C SER A 56 11.113 -0.193 6.710 1.00 0.00 C ATOM 788 O SER A 56 12.094 -0.870 6.381 1.00 0.00 O ATOM 789 CB SER A 56 11.515 1.899 5.380 1.00 0.00 C ATOM 790 OG SER A 56 11.692 2.796 6.464 1.00 0.00 O ATOM 0 H SER A 56 9.378 2.383 6.561 1.00 0.00 H new ATOM 0 HA SER A 56 10.226 0.249 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.470 1.439 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.182 2.450 4.500 1.00 0.00 H new ATOM 0 HG SER A 56 12.350 3.480 6.219 1.00 0.00 H new ATOM 796 N ALA A 57 10.528 -0.289 7.912 1.00 0.00 N ATOM 797 CA ALA A 57 11.017 -1.203 8.949 1.00 0.00 C ATOM 798 C ALA A 57 10.361 -2.583 8.843 1.00 0.00 C ATOM 799 O ALA A 57 11.019 -3.605 9.059 1.00 0.00 O ATOM 800 CB ALA A 57 10.778 -0.607 10.327 1.00 0.00 C ATOM 0 H ALA A 57 9.713 0.258 8.189 1.00 0.00 H new ATOM 0 HA ALA A 57 12.088 -1.336 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.145 -1.294 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.307 0.342 10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.710 -0.441 10.472 1.00 0.00 H new ATOM 806 N ARG A 58 9.064 -2.597 8.512 1.00 0.00 N ATOM 807 CA ARG A 58 8.305 -3.844 8.376 1.00 0.00 C ATOM 808 C ARG A 58 7.978 -4.155 6.905 1.00 0.00 C ATOM 809 O ARG A 58 7.248 -5.109 6.612 1.00 0.00 O ATOM 810 CB ARG A 58 7.011 -3.759 9.200 1.00 0.00 C ATOM 811 CG ARG A 58 7.227 -3.912 10.701 1.00 0.00 C ATOM 812 CD ARG A 58 6.830 -5.297 11.184 1.00 0.00 C ATOM 813 NE ARG A 58 7.028 -5.451 12.631 1.00 0.00 N ATOM 814 CZ ARG A 58 6.403 -6.359 13.397 1.00 0.00 C ATOM 815 NH1 ARG A 58 5.527 -7.215 12.876 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 6.661 -6.406 14.696 1.00 0.00 N ATOM 0 H ARG A 58 8.517 -1.755 8.333 1.00 0.00 H new ATOM 0 HA ARG A 58 8.925 -4.657 8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.531 -2.800 9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.323 -4.534 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.275 -3.729 10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.644 -3.160 11.232 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.784 -5.481 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.417 -6.048 10.655 1.00 0.00 H new ATOM 0 HE ARG A 58 7.689 -4.822 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.320 -7.189 11.878 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.063 -7.897 13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.330 -5.755 15.107 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.190 -7.093 15.285 1.00 0.00 H new ATOM 830 N GLU A 59 8.544 -3.350 5.972 1.00 0.00 N ATOM 831 CA GLU A 59 8.324 -3.505 4.510 1.00 0.00 C ATOM 832 C GLU A 59 6.836 -3.356 4.149 1.00 0.00 C ATOM 833 O GLU A 59 6.274 -4.138 3.369 1.00 0.00 O ATOM 834 CB GLU A 59 8.890 -4.847 3.998 1.00 0.00 C ATOM 835 CG GLU A 59 10.411 -4.875 3.909 1.00 0.00 C ATOM 836 CD GLU A 59 10.915 -4.680 2.493 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.906 -5.659 1.717 1.00 0.00 O1- ATOM 838 OE2 GLU A 59 11.322 -3.546 2.160 1.00 0.00 O ATOM 0 H GLU A 59 9.165 -2.576 6.210 1.00 0.00 H new ATOM 0 HA GLU A 59 8.867 -2.703 4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.559 -5.647 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.473 -5.055 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.823 -4.094 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.776 -5.827 4.293 1.00 0.00 H new ATOM 845 N VAL A 60 6.214 -2.323 4.729 1.00 0.00 N ATOM 846 CA VAL A 60 4.794 -2.025 4.510 1.00 0.00 C ATOM 847 C VAL A 60 4.612 -0.529 4.210 1.00 0.00 C ATOM 848 O VAL A 60 5.524 0.266 4.433 1.00 0.00 O ATOM 849 CB VAL A 60 3.919 -2.406 5.749 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.460 -2.610 5.359 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.438 -3.654 6.465 1.00 0.00 C ATOM 0 H VAL A 60 6.679 -1.672 5.362 1.00 0.00 H new ATOM 0 HA VAL A 60 4.464 -2.624 3.661 1.00 0.00 H new ATOM 0 HB VAL A 60 3.989 -1.565 6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.880 -2.874 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.066 -1.689 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.388 -3.413 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.797 -3.877 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.432 -4.498 5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.456 -3.477 6.813 1.00 0.00 H new ATOM 861 N CYS A 61 3.437 -0.165 3.672 1.00 0.00 N ATOM 862 CA CYS A 61 3.105 1.231 3.350 1.00 0.00 C ATOM 863 C CYS A 61 1.604 1.440 3.354 1.00 0.00 C ATOM 864 O CYS A 61 0.846 0.556 2.944 1.00 0.00 O ATOM 865 CB CYS A 61 3.655 1.642 1.981 1.00 0.00 C ATOM 866 SG CYS A 61 5.352 2.253 2.038 1.00 0.00 S ATOM 0 H CYS A 61 2.694 -0.827 3.449 1.00 0.00 H new ATOM 0 HA CYS A 61 3.568 1.851 4.118 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.608 0.786 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.013 2.415 1.558 1.00 0.00 H new ATOM 0 HG CYS A 61 6.158 1.337 1.591 1.00 0.00 H new ATOM 872 N LEU A 62 1.185 2.616 3.824 1.00 0.00 N ATOM 873 CA LEU A 62 -0.227 2.973 3.853 1.00 0.00 C ATOM 874 C LEU A 62 -0.546 3.797 2.623 1.00 0.00 C ATOM 875 O LEU A 62 0.199 4.718 2.281 1.00 0.00 O ATOM 876 CB LEU A 62 -0.596 3.763 5.119 1.00 0.00 C ATOM 877 CG LEU A 62 -1.939 3.401 5.806 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.072 3.165 4.796 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.769 2.188 6.710 1.00 0.00 C ATOM 0 H LEU A 62 1.808 3.336 4.190 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.813 2.054 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.204 3.630 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.621 4.822 4.863 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.226 4.260 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.989 2.915 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.229 4.069 4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.803 2.343 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.722 1.950 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.435 1.336 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.028 2.408 7.478 1.00 0.00 H new ATOM 891 N VAL A 63 -1.646 3.457 1.966 1.00 0.00 N ATOM 892 CA VAL A 63 -2.045 4.141 0.746 1.00 0.00 C ATOM 893 C VAL A 63 -3.540 4.457 0.750 1.00 0.00 C ATOM 894 O VAL A 63 -4.354 3.676 1.254 1.00 0.00 O ATOM 895 CB VAL A 63 -1.639 3.318 -0.535 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.020 1.973 -0.175 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.802 3.105 -1.492 1.00 0.00 C ATOM 0 H VAL A 63 -2.278 2.711 2.258 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.507 5.088 0.712 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.891 3.925 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.755 1.439 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.124 2.134 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.738 1.383 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.463 2.532 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.596 2.558 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.182 4.071 -1.824 1.00 0.00 H new ATOM 907 N GLN A 64 -3.871 5.618 0.180 1.00 0.00 N ATOM 908 CA GLN A 64 -5.252 6.064 0.047 1.00 0.00 C ATOM 909 C GLN A 64 -5.734 5.659 -1.342 1.00 0.00 C ATOM 910 O GLN A 64 -5.013 5.845 -2.327 1.00 0.00 O ATOM 911 CB GLN A 64 -5.366 7.582 0.246 1.00 0.00 C ATOM 912 CG GLN A 64 -6.763 8.059 0.649 1.00 0.00 C ATOM 913 CD GLN A 64 -6.758 8.884 1.924 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.115 9.933 1.999 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.482 8.415 2.934 1.00 0.00 N ATOM 0 H GLN A 64 -3.187 6.272 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.872 5.600 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.654 7.891 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.077 8.081 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.187 8.653 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.412 7.194 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.999 7.542 2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.521 8.928 3.815 1.00 0.00 H new ATOM 924 N PHE A 65 -6.941 5.117 -1.416 1.00 0.00 N ATOM 925 CA PHE A 65 -7.476 4.623 -2.677 1.00 0.00 C ATOM 926 C PHE A 65 -8.497 5.565 -3.316 1.00 0.00 C ATOM 927 O PHE A 65 -8.935 6.539 -2.698 1.00 0.00 O ATOM 928 CB PHE A 65 -8.041 3.225 -2.434 1.00 0.00 C ATOM 929 CG PHE A 65 -6.966 2.231 -2.078 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.477 2.133 -0.782 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.425 1.418 -3.047 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.475 1.237 -0.472 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.425 0.521 -2.745 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.950 0.430 -1.457 1.00 0.00 C ATOM 0 H PHE A 65 -7.568 5.008 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.669 4.575 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.776 3.267 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.565 2.886 -3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.886 2.765 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.791 1.484 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.103 1.169 0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.014 -0.111 -3.519 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.166 -0.274 -1.218 1.00 0.00 H new ATOM 944 N GLU A 66 -8.865 5.249 -4.576 1.00 0.00 N ATOM 945 CA GLU A 66 -9.803 6.051 -5.376 1.00 0.00 C ATOM 946 C GLU A 66 -11.162 6.247 -4.699 1.00 0.00 C ATOM 947 O GLU A 66 -11.702 7.358 -4.714 1.00 0.00 O ATOM 948 CB GLU A 66 -9.997 5.409 -6.752 1.00 0.00 C ATOM 949 CG GLU A 66 -10.064 6.424 -7.884 1.00 0.00 C ATOM 950 CD GLU A 66 -8.690 6.882 -8.351 1.00 0.00 C ATOM 951 OE1 GLU A 66 -8.099 6.211 -9.225 1.00 0.00 O1- ATOM 952 OE2 GLU A 66 -8.205 7.912 -7.838 1.00 0.00 O ATOM 0 H GLU A 66 -8.515 4.425 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.358 7.040 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.177 4.717 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.915 4.821 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.601 5.987 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.638 7.290 -7.555 1.00 0.00 H new ATOM 959 N ASP A 67 -11.711 5.176 -4.110 1.00 0.00 N ATOM 960 CA ASP A 67 -13.009 5.261 -3.444 1.00 0.00 C ATOM 961 C ASP A 67 -12.853 5.598 -1.940 1.00 0.00 C ATOM 962 O ASP A 67 -13.611 5.113 -1.090 1.00 0.00 O ATOM 963 CB ASP A 67 -13.797 3.960 -3.695 1.00 0.00 C ATOM 964 CG ASP A 67 -15.265 4.056 -3.311 1.00 0.00 C ATOM 965 OD1 ASP A 67 -16.001 4.825 -3.965 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.677 3.363 -2.357 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.279 4.252 -4.083 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.584 6.085 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.722 3.697 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.334 3.150 -3.131 1.00 0.00 H new ATOM 971 N ASP A 68 -11.849 6.459 -1.633 1.00 0.00 N ATOM 972 CA ASP A 68 -11.555 6.943 -0.260 1.00 0.00 C ATOM 973 C ASP A 68 -11.367 5.805 0.761 1.00 0.00 C ATOM 974 O ASP A 68 -12.090 5.720 1.764 1.00 0.00 O ATOM 975 CB ASP A 68 -12.638 7.932 0.214 1.00 0.00 C ATOM 976 CG ASP A 68 -12.311 9.368 -0.148 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.485 9.737 -1.328 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -11.879 10.123 0.749 1.00 0.00 O ATOM 0 H ASP A 68 -11.216 6.839 -2.337 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.599 7.463 -0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.595 7.658 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.752 7.850 1.295 1.00 0.00 H new ATOM 983 N SER A 69 -10.394 4.932 0.492 1.00 0.00 N ATOM 984 CA SER A 69 -10.101 3.809 1.381 1.00 0.00 C ATOM 985 C SER A 69 -8.664 3.849 1.874 1.00 0.00 C ATOM 986 O SER A 69 -7.729 3.958 1.076 1.00 0.00 O ATOM 987 CB SER A 69 -10.362 2.473 0.671 1.00 0.00 C ATOM 988 OG SER A 69 -11.125 1.605 1.489 1.00 0.00 O ATOM 0 H SER A 69 -9.797 4.982 -0.334 1.00 0.00 H new ATOM 0 HA SER A 69 -10.764 3.896 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.889 2.652 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.413 2.000 0.418 1.00 0.00 H new ATOM 0 HG SER A 69 -11.280 0.761 1.015 1.00 0.00 H new ATOM 994 N GLN A 70 -8.496 3.794 3.199 1.00 0.00 N ATOM 995 CA GLN A 70 -7.169 3.758 3.807 1.00 0.00 C ATOM 996 C GLN A 70 -6.852 2.304 4.130 1.00 0.00 C ATOM 997 O GLN A 70 -7.220 1.782 5.191 1.00 0.00 O ATOM 998 CB GLN A 70 -7.101 4.639 5.062 1.00 0.00 C ATOM 999 CG GLN A 70 -6.488 6.012 4.815 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.970 6.001 4.832 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.350 5.726 5.860 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.362 6.311 3.691 1.00 0.00 N ATOM 0 H GLN A 70 -9.265 3.774 3.869 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.429 4.160 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.108 4.767 5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.519 4.123 5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.831 6.388 3.851 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.848 6.706 5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.914 6.532 2.863 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.343 6.327 3.644 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.178 1.658 3.185 1.00 0.00 N ATOM 1012 CA PHE A 71 -5.848 0.246 3.294 1.00 0.00 C ATOM 1013 C PHE A 71 -4.340 0.025 3.311 1.00 0.00 C ATOM 1014 O PHE A 71 -3.626 0.460 2.401 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.512 -0.492 2.114 1.00 0.00 C ATOM 1016 CG PHE A 71 -7.780 -1.272 2.426 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.535 -1.056 3.582 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.220 -2.229 1.529 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.685 -1.782 3.824 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.371 -2.957 1.769 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.102 -2.735 2.918 1.00 0.00 C ATOM 0 H PHE A 71 -5.847 2.098 2.326 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.225 -0.149 4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.744 0.241 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.783 -1.182 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.215 -0.311 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.655 -2.411 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.257 -1.604 4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.698 -3.700 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.999 -3.306 3.108 1.00 0.00 H new ATOM 1031 N LEU A 72 -3.869 -0.657 4.366 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.444 -0.962 4.544 1.00 0.00 C ATOM 1033 C LEU A 72 -2.002 -2.093 3.608 1.00 0.00 C ATOM 1034 O LEU A 72 -2.575 -3.187 3.628 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.117 -1.283 6.035 1.00 0.00 C ATOM 1036 CG LEU A 72 -2.720 -2.559 6.694 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -4.122 -2.879 6.191 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -1.795 -3.754 6.501 1.00 0.00 C ATOM 0 H LEU A 72 -4.463 -1.011 5.116 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.873 -0.074 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.033 -1.350 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.434 -0.427 6.631 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.810 -2.347 7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.490 -3.778 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.787 -2.045 6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.093 -3.044 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.235 -4.634 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.658 -3.940 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.829 -3.544 6.960 1.00 0.00 H new ATOM 1050 N VAL A 73 -0.996 -1.807 2.783 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.486 -2.795 1.819 1.00 0.00 C ATOM 1052 C VAL A 73 0.996 -3.078 2.018 1.00 0.00 C ATOM 1053 O VAL A 73 1.760 -2.209 2.446 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.704 -2.364 0.341 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -0.938 -3.583 -0.550 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.853 -1.367 0.207 1.00 0.00 C ATOM 0 H VAL A 73 -0.517 -0.907 2.758 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.063 -3.699 2.014 1.00 0.00 H new ATOM 0 HB VAL A 73 0.205 -1.863 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.088 -3.258 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.071 -4.242 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.822 -4.120 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.974 -1.090 -0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.774 -1.822 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.632 -0.476 0.795 1.00 0.00 H new ATOM 1066 N LEU A 74 1.379 -4.313 1.675 1.00 0.00 N ATOM 1067 CA LEU A 74 2.762 -4.776 1.773 1.00 0.00 C ATOM 1068 C LEU A 74 3.516 -4.448 0.491 1.00 0.00 C ATOM 1069 O LEU A 74 2.934 -4.480 -0.597 1.00 0.00 O ATOM 1070 CB LEU A 74 2.815 -6.303 2.014 1.00 0.00 C ATOM 1071 CG LEU A 74 2.156 -6.860 3.302 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.504 -6.027 4.529 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.643 -6.975 3.141 1.00 0.00 C ATOM 0 H LEU A 74 0.734 -5.019 1.321 1.00 0.00 H new ATOM 0 HA LEU A 74 3.229 -4.266 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.346 -6.792 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.863 -6.604 2.018 1.00 0.00 H new ATOM 0 HG LEU A 74 2.563 -7.859 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.021 -6.454 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.584 -6.026 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.156 -5.004 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.208 -7.368 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.223 -5.991 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.415 -7.648 2.315 1.00 0.00 H new ATOM 1085 N TRP A 75 4.817 -4.158 0.621 1.00 0.00 N ATOM 1086 CA TRP A 75 5.677 -3.825 -0.536 1.00 0.00 C ATOM 1087 C TRP A 75 5.730 -4.966 -1.570 1.00 0.00 C ATOM 1088 O TRP A 75 6.169 -4.758 -2.705 1.00 0.00 O ATOM 1089 CB TRP A 75 7.103 -3.476 -0.071 1.00 0.00 C ATOM 1090 CG TRP A 75 7.222 -2.199 0.733 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.237 -1.561 1.444 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.414 -1.411 0.923 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.736 -0.434 2.040 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.065 -0.320 1.742 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.738 -1.519 0.477 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.986 0.650 2.125 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.652 -0.553 0.862 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.271 0.518 1.679 1.00 0.00 C ATOM 0 H TRP A 75 5.304 -4.146 1.517 1.00 0.00 H new ATOM 0 HA TRP A 75 5.231 -2.957 -1.021 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.485 -4.302 0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.745 -3.396 -0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.214 -1.899 1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.201 0.217 2.615 1.00 0.00 H new ATOM 0 HE3 TRP A 75 10.040 -2.341 -0.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.695 1.479 2.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.676 -0.627 0.526 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.008 1.255 1.963 1.00 0.00 H new ATOM 1109 N LYS A 76 5.281 -6.165 -1.159 1.00 0.00 N ATOM 1110 CA LYS A 76 5.251 -7.344 -2.039 1.00 0.00 C ATOM 1111 C LYS A 76 3.946 -7.398 -2.852 1.00 0.00 C ATOM 1112 O LYS A 76 3.939 -7.875 -3.991 1.00 0.00 O ATOM 1113 CB LYS A 76 5.435 -8.650 -1.232 1.00 0.00 C ATOM 1114 CG LYS A 76 4.625 -8.738 0.063 1.00 0.00 C ATOM 1115 CD LYS A 76 4.515 -10.172 0.557 1.00 0.00 C ATOM 1116 CE LYS A 76 3.682 -10.260 1.825 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.915 -11.536 2.556 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.932 -6.342 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 76 6.085 -7.252 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.164 -9.492 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.492 -8.761 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.096 -8.123 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.627 -8.332 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.066 -10.792 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.512 -10.571 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.923 -9.420 2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.625 -10.175 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.328 -11.556 3.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.661 -12.338 1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.918 -11.606 2.821 1.00 0.00 H new ATOM 1131 N ASP A 77 2.854 -6.904 -2.251 1.00 0.00 N ATOM 1132 CA ASP A 77 1.535 -6.873 -2.896 1.00 0.00 C ATOM 1133 C ASP A 77 1.304 -5.551 -3.643 1.00 0.00 C ATOM 1134 O ASP A 77 0.223 -5.323 -4.200 1.00 0.00 O ATOM 1135 CB ASP A 77 0.435 -7.071 -1.848 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.061 -8.502 -1.791 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -0.896 -8.876 -2.642 1.00 0.00 O ATOM 1138 OD2 ASP A 77 0.386 -9.249 -0.895 1.00 0.00 O1- ATOM 0 H ASP A 77 2.861 -6.516 -1.308 1.00 0.00 H new ATOM 0 HA ASP A 77 1.501 -7.684 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.815 -6.782 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.401 -6.409 -2.074 1.00 0.00 H new ATOM 1143 N ILE A 78 2.334 -4.698 -3.664 1.00 0.00 N ATOM 1144 CA ILE A 78 2.250 -3.392 -4.316 1.00 0.00 C ATOM 1145 C ILE A 78 2.990 -3.387 -5.661 1.00 0.00 C ATOM 1146 O ILE A 78 4.061 -3.985 -5.798 1.00 0.00 O ATOM 1147 CB ILE A 78 2.796 -2.270 -3.381 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.877 -2.132 -2.154 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.906 -0.928 -4.116 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.520 -1.463 -0.960 1.00 0.00 C ATOM 0 H ILE A 78 3.238 -4.893 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 78 1.198 -3.190 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 78 3.799 -2.550 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.993 -1.563 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.536 -3.124 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.290 -0.170 -3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.585 -1.031 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.922 -0.628 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.801 -1.408 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.387 -2.042 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.836 -0.456 -1.233 1.00 0.00 H new ATOM 1162 N SER A 79 2.387 -2.700 -6.637 1.00 0.00 N ATOM 1163 CA SER A 79 2.950 -2.555 -7.977 1.00 0.00 C ATOM 1164 C SER A 79 2.905 -1.072 -8.393 1.00 0.00 C ATOM 1165 O SER A 79 1.828 -0.561 -8.708 1.00 0.00 O ATOM 1166 CB SER A 79 2.177 -3.419 -8.986 1.00 0.00 C ATOM 1167 OG SER A 79 3.059 -4.229 -9.745 1.00 0.00 O ATOM 0 H SER A 79 1.491 -2.228 -6.516 1.00 0.00 H new ATOM 0 HA SER A 79 3.986 -2.895 -7.967 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.463 -4.050 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.602 -2.777 -9.654 1.00 0.00 H new ATOM 0 HG SER A 79 2.543 -4.770 -10.378 1.00 0.00 H new ATOM 1173 N PRO A 80 4.061 -0.334 -8.381 1.00 0.00 N ATOM 1174 CA PRO A 80 4.096 1.100 -8.761 1.00 0.00 C ATOM 1175 C PRO A 80 3.423 1.386 -10.110 1.00 0.00 C ATOM 1176 O PRO A 80 3.791 0.810 -11.141 1.00 0.00 O ATOM 1177 CB PRO A 80 5.592 1.414 -8.817 1.00 0.00 C ATOM 1178 CG PRO A 80 6.201 0.464 -7.850 1.00 0.00 C ATOM 1179 CD PRO A 80 5.410 -0.810 -7.983 1.00 0.00 C ATOM 0 HA PRO A 80 3.542 1.717 -8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.992 1.271 -9.821 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.792 2.449 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.254 0.297 -8.075 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.150 0.853 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.840 -1.474 -8.733 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.380 -1.365 -7.045 1.00 0.00 H new ATOM 1187 N ALA A 81 2.425 2.280 -10.074 1.00 0.00 N ATOM 1188 CA ALA A 81 1.652 2.669 -11.264 1.00 0.00 C ATOM 1189 C ALA A 81 2.411 3.657 -12.175 1.00 0.00 C ATOM 1190 O ALA A 81 1.802 4.342 -13.007 1.00 0.00 O ATOM 1191 CB ALA A 81 0.323 3.272 -10.825 1.00 0.00 C ATOM 0 H ALA A 81 2.130 2.754 -9.220 1.00 0.00 H new ATOM 0 HA ALA A 81 1.483 1.769 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.253 3.562 -11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.238 2.536 -10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.509 4.151 -10.207 1.00 0.00 H new ATOM 1197 N ALA A 82 3.742 3.708 -12.027 1.00 0.00 N ATOM 1198 CA ALA A 82 4.582 4.606 -12.822 1.00 0.00 C ATOM 1199 C ALA A 82 4.987 3.977 -14.159 1.00 0.00 C ATOM 1200 O ALA A 82 4.996 4.658 -15.190 1.00 0.00 O ATOM 1201 CB ALA A 82 5.817 5.010 -12.030 1.00 0.00 C ATOM 0 H ALA A 82 4.259 3.134 -11.361 1.00 0.00 H new ATOM 0 HA ALA A 82 3.993 5.495 -13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.433 5.678 -12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.512 5.522 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.391 4.120 -11.772 1.00 0.00 H new ATOM 1207 N LEU A 83 5.319 2.680 -14.130 1.00 0.00 N ATOM 1208 CA LEU A 83 5.724 1.952 -15.333 1.00 0.00 C ATOM 1209 C LEU A 83 4.564 1.130 -15.886 1.00 0.00 C ATOM 1210 CB LEU A 83 6.914 1.038 -15.030 1.00 0.00 C ATOM 1211 CG LEU A 83 7.926 0.886 -16.169 1.00 0.00 C ATOM 1212 CD1 LEU A 83 9.181 1.693 -15.876 1.00 0.00 C ATOM 1213 CD2 LEU A 83 8.270 -0.581 -16.381 1.00 0.00 C ATOM 0 H LEU A 83 5.314 2.114 -13.282 1.00 0.00 H new ATOM 0 HA LEU A 83 6.021 2.682 -16.085 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.434 1.424 -14.153 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.535 0.050 -14.768 1.00 0.00 H new ATOM 0 HG LEU A 83 7.477 1.270 -17.085 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.890 1.574 -16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.920 2.746 -15.772 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.634 1.338 -14.950 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.990 -0.672 -17.194 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.701 -0.989 -15.467 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.365 -1.134 -16.634 1.00 0.00 H new TER 1225 LEU A 83 ATOM 1226 N ALA B 331 -22.497 -3.724 -10.257 1.00 0.00 N ATOM 1227 CA ALA B 331 -21.589 -3.722 -9.079 1.00 0.00 C ATOM 1228 C ALA B 331 -20.321 -2.913 -9.356 1.00 0.00 C ATOM 1229 O ALA B 331 -19.866 -2.155 -8.494 1.00 0.00 O ATOM 1230 CB ALA B 331 -21.234 -5.149 -8.686 1.00 0.00 C ATOM 0 HA ALA B 331 -22.113 -3.247 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA B 331 -20.569 -5.134 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA B 331 -22.144 -5.694 -8.434 1.00 0.00 H new ATOM 0 HB3 ALA B 331 -20.735 -5.643 -9.520 1.00 0.00 H new ATOM 1235 N THR B 332 -19.759 -3.082 -10.559 1.00 0.00 N ATOM 1236 CA THR B 332 -18.542 -2.373 -10.959 1.00 0.00 C ATOM 1237 C THR B 332 -18.764 -1.583 -12.245 1.00 0.00 C ATOM 1238 O THR B 332 -19.134 -2.151 -13.278 1.00 0.00 O ATOM 1239 CB THR B 332 -17.355 -3.340 -11.161 1.00 0.00 C ATOM 1240 OG1 THR B 332 -17.783 -4.514 -11.862 1.00 0.00 O ATOM 1241 CG2 THR B 332 -16.743 -3.737 -9.824 1.00 0.00 C ATOM 0 H THR B 332 -20.131 -3.707 -11.274 1.00 0.00 H new ATOM 0 HA THR B 332 -18.301 -1.687 -10.147 1.00 0.00 H new ATOM 0 HB THR B 332 -16.598 -2.824 -11.752 1.00 0.00 H new ATOM 0 HG1 THR B 332 -18.384 -4.258 -12.593 1.00 0.00 H new ATOM 0 HG21 THR B 332 -15.909 -4.418 -9.993 1.00 0.00 H new ATOM 0 HG22 THR B 332 -16.385 -2.846 -9.309 1.00 0.00 H new ATOM 0 HG23 THR B 332 -17.497 -4.232 -9.211 1.00 0.00 H new ATOM 1249 N GLY B 333 -18.535 -0.268 -12.163 1.00 0.00 N ATOM 1250 CA GLY B 333 -18.705 0.608 -13.315 1.00 0.00 C ATOM 1251 C GLY B 333 -18.534 2.075 -12.962 1.00 0.00 C ATOM 1252 O GLY B 333 -19.327 2.917 -13.396 1.00 0.00 O ATOM 0 H GLY B 333 -18.233 0.207 -11.312 1.00 0.00 H new ATOM 0 HA2 GLY B 333 -17.982 0.336 -14.084 1.00 0.00 H new ATOM 0 HA3 GLY B 333 -19.696 0.454 -13.741 1.00 0.00 H new ATOM 1256 N GLY B 334 -17.495 2.374 -12.175 1.00 0.00 N ATOM 1257 CA GLY B 334 -17.218 3.744 -11.763 1.00 0.00 C ATOM 1258 C GLY B 334 -16.406 3.822 -10.479 1.00 0.00 C ATOM 1259 O GLY B 334 -16.531 4.790 -9.724 1.00 0.00 O ATOM 0 H GLY B 334 -16.836 1.684 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY B 334 -16.679 4.256 -12.560 1.00 0.00 H new ATOM 0 HA3 GLY B 334 -18.160 4.274 -11.624 1.00 0.00 H new ATOM 1263 N VAL B 335 -15.574 2.801 -10.240 1.00 0.00 N ATOM 1264 CA VAL B 335 -14.730 2.744 -9.048 1.00 0.00 C ATOM 1265 C VAL B 335 -13.307 2.287 -9.416 1.00 0.00 C ATOM 1266 O VAL B 335 -13.135 1.408 -10.263 1.00 0.00 O ATOM 1267 CB VAL B 335 -15.365 1.824 -7.951 1.00 0.00 C ATOM 1268 CG1 VAL B 335 -15.244 0.338 -8.289 1.00 0.00 C ATOM 1269 CG2 VAL B 335 -14.764 2.115 -6.577 1.00 0.00 C ATOM 0 H VAL B 335 -15.470 2.000 -10.863 1.00 0.00 H new ATOM 0 HA VAL B 335 -14.661 3.747 -8.628 1.00 0.00 H new ATOM 0 HB VAL B 335 -16.429 2.059 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL B 335 -15.700 -0.254 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL B 335 -15.754 0.136 -9.231 1.00 0.00 H new ATOM 0 HG13 VAL B 335 -14.191 0.071 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL B 335 -15.222 1.463 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL B 335 -13.689 1.935 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL B 335 -14.951 3.155 -6.311 1.00 0.00 H new HETATM 1279 N M3L B 336 -12.301 2.886 -8.744 1.00 0.00 N HETATM 1280 CA M3L B 336 -10.853 2.590 -8.966 1.00 0.00 C HETATM 1281 CB M3L B 336 -10.474 1.183 -8.443 1.00 0.00 C HETATM 1282 CG M3L B 336 -11.076 0.837 -7.084 1.00 0.00 C HETATM 1283 CD M3L B 336 -10.136 1.197 -5.941 1.00 0.00 C HETATM 1284 CE M3L B 336 -10.910 1.630 -4.672 1.00 0.00 C HETATM 1285 NZ M3L B 336 -10.958 0.601 -3.545 1.00 0.00 N HETATM 1286 C M3L B 336 -10.424 2.726 -10.443 1.00 0.00 C HETATM 1287 O M3L B 336 -11.246 2.628 -11.356 1.00 0.00 O HETATM 1288 CM1 M3L B 336 -9.599 0.259 -3.033 1.00 0.00 C HETATM 1289 CM2 M3L B 336 -11.673 -0.630 -4.002 1.00 0.00 C HETATM 1290 CM3 M3L B 336 -11.693 1.176 -2.398 1.00 0.00 C HETATM 0 HM33 M3L B 336 -11.183 2.075 -2.053 1.00 0.00 H new HETATM 0 HM32 M3L B 336 -12.707 1.430 -2.706 1.00 0.00 H new HETATM 0 HM31 M3L B 336 -11.732 0.447 -1.588 1.00 0.00 H new HETATM 0 HM23 M3L B 336 -12.691 -0.372 -4.294 1.00 0.00 H new HETATM 0 HM22 M3L B 336 -11.149 -1.060 -4.856 1.00 0.00 H new HETATM 0 HM21 M3L B 336 -11.701 -1.357 -3.190 1.00 0.00 H new HETATM 0 HM13 M3L B 336 -8.999 -0.155 -3.843 1.00 0.00 H new HETATM 0 HM12 M3L B 336 -9.118 1.158 -2.648 1.00 0.00 H new HETATM 0 HM11 M3L B 336 -9.686 -0.476 -2.233 1.00 0.00 H new HETATM 0 HG3 M3L B 336 -12.020 1.367 -6.959 1.00 0.00 H new HETATM 0 HG2 M3L B 336 -11.302 -0.229 -7.047 1.00 0.00 H new HETATM 0 HE3 M3L B 336 -10.458 2.544 -4.286 1.00 0.00 H new HETATM 0 HE2 M3L B 336 -11.932 1.877 -4.958 1.00 0.00 H new HETATM 0 HD3 M3L B 336 -9.505 0.340 -5.706 1.00 0.00 H new HETATM 0 HD2 M3L B 336 -9.474 2.004 -6.256 1.00 0.00 H new HETATM 0 HB3 M3L B 336 -10.796 0.438 -9.171 1.00 0.00 H new HETATM 0 HB2 M3L B 336 -9.388 1.113 -8.375 1.00 0.00 H new HETATM 0 HA M3L B 336 -10.312 3.345 -8.396 1.00 0.00 H new ATOM 1310 N LYS B 337 -9.119 2.968 -10.659 1.00 0.00 N ATOM 1311 CA LYS B 337 -8.559 3.102 -12.015 1.00 0.00 C ATOM 1312 C LYS B 337 -7.192 2.371 -12.135 1.00 0.00 C ATOM 1313 O LYS B 337 -6.225 2.949 -12.648 1.00 0.00 O ATOM 1314 CB LYS B 337 -8.406 4.591 -12.383 1.00 0.00 C ATOM 1315 CG LYS B 337 -9.732 5.317 -12.628 1.00 0.00 C ATOM 1316 CD LYS B 337 -10.102 6.258 -11.477 1.00 0.00 C ATOM 1317 CE LYS B 337 -9.546 7.665 -11.677 1.00 0.00 C ATOM 1318 NZ LYS B 337 -8.122 7.753 -11.254 1.00 0.00 N1+ ATOM 0 H LYS B 337 -8.433 3.075 -9.912 1.00 0.00 H new ATOM 0 HA LYS B 337 -9.251 2.634 -12.714 1.00 0.00 H new ATOM 0 HB2 LYS B 337 -7.870 5.099 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS B 337 -7.790 4.671 -13.279 1.00 0.00 H new ATOM 0 HG2 LYS B 337 -9.665 5.888 -13.554 1.00 0.00 H new ATOM 0 HG3 LYS B 337 -10.526 4.583 -12.763 1.00 0.00 H new ATOM 0 HD2 LYS B 337 -11.187 6.308 -11.386 1.00 0.00 H new ATOM 0 HD3 LYS B 337 -9.722 5.850 -10.540 1.00 0.00 H new ATOM 0 HE2 LYS B 337 -9.633 7.946 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS B 337 -10.141 8.377 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 337 -7.965 8.648 -10.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 337 -7.896 6.955 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 337 -7.508 7.718 -12.093 1.00 0.00 H new ATOM 1332 N PRO B 338 -7.079 1.080 -11.675 1.00 0.00 N ATOM 1333 CA PRO B 338 -5.819 0.309 -11.731 1.00 0.00 C ATOM 1334 C PRO B 338 -5.520 -0.310 -13.103 1.00 0.00 C ATOM 1335 O PRO B 338 -6.181 -0.011 -14.100 1.00 0.00 O ATOM 1336 CB PRO B 338 -6.037 -0.805 -10.681 1.00 0.00 C ATOM 1337 CG PRO B 338 -7.304 -0.454 -9.991 1.00 0.00 C ATOM 1338 CD PRO B 338 -8.117 0.270 -11.016 1.00 0.00 C ATOM 0 HA PRO B 338 -4.962 0.955 -11.541 1.00 0.00 H new ATOM 0 HB2 PRO B 338 -6.106 -1.784 -11.155 1.00 0.00 H new ATOM 0 HB3 PRO B 338 -5.206 -0.850 -9.977 1.00 0.00 H new ATOM 0 HG2 PRO B 338 -7.820 -1.346 -9.636 1.00 0.00 H new ATOM 0 HG3 PRO B 338 -7.118 0.174 -9.120 1.00 0.00 H new ATOM 0 HD2 PRO B 338 -8.610 -0.412 -11.709 1.00 0.00 H new ATOM 0 HD3 PRO B 338 -8.896 0.885 -10.566 1.00 0.00 H new ATOM 1346 N HIS B 339 -4.500 -1.182 -13.109 1.00 0.00 N ATOM 1347 CA HIS B 339 -4.027 -1.892 -14.296 1.00 0.00 C ATOM 1348 C HIS B 339 -5.006 -3.004 -14.718 1.00 0.00 C ATOM 1349 O HIS B 339 -5.340 -3.882 -13.918 1.00 0.00 O ATOM 1350 CB HIS B 339 -2.611 -2.434 -13.972 1.00 0.00 C ATOM 1351 CG HIS B 339 -2.355 -3.884 -14.245 1.00 0.00 C ATOM 1352 ND1 HIS B 339 -2.421 -4.453 -15.496 1.00 0.00 N ATOM 1353 CD2 HIS B 339 -2.013 -4.875 -13.395 1.00 0.00 C ATOM 1354 CE1 HIS B 339 -2.131 -5.736 -15.404 1.00 0.00 C ATOM 1355 NE2 HIS B 339 -1.878 -6.020 -14.139 1.00 0.00 N ATOM 0 H HIS B 339 -3.973 -1.415 -12.267 1.00 0.00 H new ATOM 0 HA HIS B 339 -3.974 -1.220 -15.153 1.00 0.00 H new ATOM 0 HB2 HIS B 339 -1.887 -1.850 -14.541 1.00 0.00 H new ATOM 0 HB3 HIS B 339 -2.411 -2.248 -12.917 1.00 0.00 H new ATOM 0 HD2 HIS B 339 -1.872 -4.784 -12.328 1.00 0.00 H new ATOM 0 HE1 HIS B 339 -2.105 -6.437 -16.225 1.00 0.00 H new ATOM 0 HE2 HIS B 339 -1.624 -6.939 -13.775 1.00 0.00 H new ATOM 1364 N ARG B 340 -5.449 -2.939 -15.993 1.00 0.00 N ATOM 1365 CA ARG B 340 -6.393 -3.908 -16.607 1.00 0.00 C ATOM 1366 C ARG B 340 -7.810 -3.815 -16.018 1.00 0.00 C ATOM 1367 O ARG B 340 -8.775 -3.612 -16.759 1.00 0.00 O ATOM 1368 CB ARG B 340 -5.869 -5.354 -16.521 1.00 0.00 C ATOM 1369 CG ARG B 340 -5.134 -5.805 -17.775 1.00 0.00 C ATOM 1370 CD ARG B 340 -6.034 -6.627 -18.688 1.00 0.00 C ATOM 1371 NE ARG B 340 -5.552 -6.632 -20.075 1.00 0.00 N ATOM 1372 CZ ARG B 340 -6.140 -5.983 -21.091 1.00 0.00 C ATOM 1373 NH1 ARG B 340 -7.245 -5.264 -20.905 1.00 0.00 N1+ ATOM 1374 NH2 ARG B 340 -5.613 -6.058 -22.305 1.00 0.00 N ATOM 0 H ARG B 340 -5.159 -2.203 -16.636 1.00 0.00 H new ATOM 0 HA ARG B 340 -6.459 -3.629 -17.659 1.00 0.00 H new ATOM 0 HB2 ARG B 340 -5.199 -5.440 -15.665 1.00 0.00 H new ATOM 0 HB3 ARG B 340 -6.707 -6.026 -16.338 1.00 0.00 H new ATOM 0 HG2 ARG B 340 -4.766 -4.933 -18.315 1.00 0.00 H new ATOM 0 HG3 ARG B 340 -4.263 -6.396 -17.494 1.00 0.00 H new ATOM 0 HD2 ARG B 340 -6.087 -7.651 -18.319 1.00 0.00 H new ATOM 0 HD3 ARG B 340 -7.046 -6.224 -18.657 1.00 0.00 H new ATOM 0 HE ARG B 340 -4.709 -7.168 -20.281 1.00 0.00 H new ATOM 0 HH11 ARG B 340 -7.661 -5.199 -19.976 1.00 0.00 H new ATOM 0 HH12 ARG B 340 -7.676 -4.778 -21.692 1.00 0.00 H new ATOM 0 HH21 ARG B 340 -4.767 -6.606 -22.461 1.00 0.00 H new ATOM 0 HH22 ARG B 340 -6.054 -5.568 -23.083 1.00 0.00 H new ATOM 1388 N TYR B 341 -7.923 -3.962 -14.691 1.00 0.00 N ATOM 1389 CA TYR B 341 -9.213 -3.898 -14.005 1.00 0.00 C ATOM 1390 C TYR B 341 -9.181 -2.869 -12.880 1.00 0.00 C ATOM 1391 CB TYR B 341 -9.585 -5.273 -13.445 1.00 0.00 C ATOM 1392 CG TYR B 341 -10.385 -6.127 -14.406 1.00 0.00 C ATOM 1393 CD1 TYR B 341 -9.753 -6.937 -15.341 1.00 0.00 C ATOM 1394 CD2 TYR B 341 -11.774 -6.123 -14.374 1.00 0.00 C ATOM 1395 CE1 TYR B 341 -10.482 -7.718 -16.217 1.00 0.00 C ATOM 1396 CE2 TYR B 341 -12.510 -6.902 -15.247 1.00 0.00 C ATOM 1397 CZ TYR B 341 -11.859 -7.696 -16.166 1.00 0.00 C ATOM 1398 OH TYR B 341 -12.589 -8.474 -17.036 1.00 0.00 O ATOM 0 H TYR B 341 -7.130 -4.127 -14.072 1.00 0.00 H new ATOM 0 HA TYR B 341 -9.967 -3.592 -14.730 1.00 0.00 H new ATOM 0 HB2 TYR B 341 -8.672 -5.804 -13.175 1.00 0.00 H new ATOM 0 HB3 TYR B 341 -10.159 -5.139 -12.528 1.00 0.00 H new ATOM 0 HD1 TYR B 341 -8.674 -6.957 -15.384 1.00 0.00 H new ATOM 0 HD2 TYR B 341 -12.287 -5.501 -13.655 1.00 0.00 H new ATOM 0 HE1 TYR B 341 -9.975 -8.342 -16.938 1.00 0.00 H new ATOM 0 HE2 TYR B 341 -13.589 -6.888 -15.209 1.00 0.00 H new ATOM 0 HH TYR B 341 -13.546 -8.343 -16.868 1.00 0.00 H new TER 1408 TYR B 341