USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.193 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -2:sc= 0.257 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00984 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -146:sc= 0 (180deg=-0.0929) USER MOD Single : A 24 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 SER OG : rot -71:sc= 1.42 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 35 SER OG : rot -82:sc= 0.083 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.12 K(o=1.1,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.08) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00274 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 51 SER OG : rot -80:sc= 1.28 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -167:sc= -0.975 (180deg=-1.49) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0769 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 63 MET CE :methyl -156:sc= -0.213 (180deg=-1.14) USER MOD Single : A 66 CYS SG : rot 180:sc= -0.227 USER MOD Single : A 71 THR OG1 : rot -85:sc= 0.442 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 74 SER OG : rot -87:sc= 0.537 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 82 HIS : no HE2:sc= 0.129 K(o=0.13,f=-0.59) USER MOD Single : A 84 SER OG : rot 94:sc= 1.11 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 62.191 -8.169 17.872 1.00 0.00 N ATOM 2 CA GLY A 1 61.030 -7.282 18.053 1.00 0.00 C ATOM 3 C GLY A 1 59.767 -8.025 17.659 1.00 0.00 C ATOM 4 O GLY A 1 59.863 -9.152 17.179 1.00 0.00 O ATOM 0 H1 GLY A 1 62.625 -8.365 18.796 1.00 0.00 H new ATOM 0 H2 GLY A 1 61.881 -9.062 17.438 1.00 0.00 H new ATOM 0 H3 GLY A 1 62.888 -7.707 17.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 60.965 -6.956 19.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 61.144 -6.386 17.443 1.00 0.00 H new ATOM 8 N SER A 2 58.607 -7.413 17.861 1.00 0.00 N ATOM 9 CA SER A 2 57.299 -7.970 17.543 1.00 0.00 C ATOM 10 C SER A 2 56.364 -6.796 17.233 1.00 0.00 C ATOM 11 O SER A 2 56.735 -5.637 17.436 1.00 0.00 O ATOM 12 CB SER A 2 56.804 -8.831 18.722 1.00 0.00 C ATOM 13 OG SER A 2 57.182 -8.281 19.976 1.00 0.00 O ATOM 0 H SER A 2 58.550 -6.479 18.267 1.00 0.00 H new ATOM 0 HA SER A 2 57.336 -8.627 16.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 55.718 -8.919 18.677 1.00 0.00 H new ATOM 0 HB3 SER A 2 57.209 -9.839 18.631 1.00 0.00 H new ATOM 0 HG SER A 2 56.849 -8.854 20.698 1.00 0.00 H new ATOM 19 N SER A 3 55.183 -7.070 16.687 1.00 0.00 N ATOM 20 CA SER A 3 54.164 -6.089 16.333 1.00 0.00 C ATOM 21 C SER A 3 52.825 -6.831 16.256 1.00 0.00 C ATOM 22 O SER A 3 52.804 -8.062 16.298 1.00 0.00 O ATOM 23 CB SER A 3 54.503 -5.441 14.981 1.00 0.00 C ATOM 24 OG SER A 3 55.780 -4.828 15.004 1.00 0.00 O ATOM 0 H SER A 3 54.898 -8.025 16.470 1.00 0.00 H new ATOM 0 HA SER A 3 54.114 -5.293 17.076 1.00 0.00 H new ATOM 0 HB2 SER A 3 54.476 -6.198 14.197 1.00 0.00 H new ATOM 0 HB3 SER A 3 53.746 -4.697 14.733 1.00 0.00 H new ATOM 0 HG SER A 3 56.173 -4.924 15.897 1.00 0.00 H new ATOM 30 N GLY A 4 51.722 -6.099 16.126 1.00 0.00 N ATOM 31 CA GLY A 4 50.377 -6.637 16.030 1.00 0.00 C ATOM 32 C GLY A 4 49.403 -5.472 15.899 1.00 0.00 C ATOM 33 O GLY A 4 49.804 -4.317 16.055 1.00 0.00 O ATOM 0 H GLY A 4 51.746 -5.080 16.084 1.00 0.00 H new ATOM 0 HA2 GLY A 4 50.294 -7.300 15.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 50.142 -7.231 16.913 1.00 0.00 H new ATOM 37 N SER A 5 48.149 -5.766 15.567 1.00 0.00 N ATOM 38 CA SER A 5 47.069 -4.807 15.404 1.00 0.00 C ATOM 39 C SER A 5 45.763 -5.612 15.352 1.00 0.00 C ATOM 40 O SER A 5 45.784 -6.843 15.439 1.00 0.00 O ATOM 41 CB SER A 5 47.289 -3.973 14.129 1.00 0.00 C ATOM 42 OG SER A 5 46.421 -2.854 14.095 1.00 0.00 O ATOM 0 H SER A 5 47.848 -6.726 15.397 1.00 0.00 H new ATOM 0 HA SER A 5 47.030 -4.098 16.231 1.00 0.00 H new ATOM 0 HB2 SER A 5 48.324 -3.635 14.086 1.00 0.00 H new ATOM 0 HB3 SER A 5 47.120 -4.595 13.250 1.00 0.00 H new ATOM 0 HG SER A 5 46.582 -2.340 13.276 1.00 0.00 H new ATOM 48 N SER A 6 44.637 -4.918 15.229 1.00 0.00 N ATOM 49 CA SER A 6 43.306 -5.496 15.151 1.00 0.00 C ATOM 50 C SER A 6 42.411 -4.521 14.393 1.00 0.00 C ATOM 51 O SER A 6 42.057 -4.773 13.245 1.00 0.00 O ATOM 52 CB SER A 6 42.781 -5.811 16.562 1.00 0.00 C ATOM 53 OG SER A 6 43.018 -4.747 17.476 1.00 0.00 O ATOM 0 H SER A 6 44.629 -3.899 15.179 1.00 0.00 H new ATOM 0 HA SER A 6 43.320 -6.443 14.612 1.00 0.00 H new ATOM 0 HB2 SER A 6 41.711 -6.013 16.512 1.00 0.00 H new ATOM 0 HB3 SER A 6 43.260 -6.718 16.931 1.00 0.00 H new ATOM 0 HG SER A 6 42.667 -4.989 18.358 1.00 0.00 H new ATOM 59 N GLY A 7 42.162 -3.356 14.991 1.00 0.00 N ATOM 60 CA GLY A 7 41.315 -2.324 14.418 1.00 0.00 C ATOM 61 C GLY A 7 39.854 -2.619 14.749 1.00 0.00 C ATOM 62 O GLY A 7 39.550 -3.482 15.576 1.00 0.00 O ATOM 0 H GLY A 7 42.551 -3.104 15.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 41.598 -1.347 14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 41.453 -2.285 13.337 1.00 0.00 H new ATOM 66 N PHE A 8 38.951 -1.834 14.166 1.00 0.00 N ATOM 67 CA PHE A 8 37.510 -1.944 14.333 1.00 0.00 C ATOM 68 C PHE A 8 36.882 -1.241 13.131 1.00 0.00 C ATOM 69 O PHE A 8 37.529 -0.369 12.544 1.00 0.00 O ATOM 70 CB PHE A 8 37.077 -1.253 15.640 1.00 0.00 C ATOM 71 CG PHE A 8 36.045 -2.032 16.429 1.00 0.00 C ATOM 72 CD1 PHE A 8 36.471 -3.025 17.330 1.00 0.00 C ATOM 73 CD2 PHE A 8 34.669 -1.768 16.277 1.00 0.00 C ATOM 74 CE1 PHE A 8 35.531 -3.743 18.087 1.00 0.00 C ATOM 75 CE2 PHE A 8 33.729 -2.490 17.033 1.00 0.00 C ATOM 76 CZ PHE A 8 34.158 -3.475 17.941 1.00 0.00 C ATOM 0 H PHE A 8 39.217 -1.074 13.540 1.00 0.00 H new ATOM 0 HA PHE A 8 37.194 -2.986 14.389 1.00 0.00 H new ATOM 0 HB2 PHE A 8 37.956 -1.095 16.265 1.00 0.00 H new ATOM 0 HB3 PHE A 8 36.673 -0.269 15.403 1.00 0.00 H new ATOM 0 HD1 PHE A 8 37.525 -3.236 17.440 1.00 0.00 H new ATOM 0 HD2 PHE A 8 34.337 -1.012 15.581 1.00 0.00 H new ATOM 0 HE1 PHE A 8 35.862 -4.501 18.781 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.675 -2.288 16.916 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.434 -4.024 18.525 1.00 0.00 H new ATOM 86 N GLU A 9 35.639 -1.571 12.782 1.00 0.00 N ATOM 87 CA GLU A 9 34.947 -0.942 11.663 1.00 0.00 C ATOM 88 C GLU A 9 33.724 -0.198 12.201 1.00 0.00 C ATOM 89 O GLU A 9 32.690 -0.832 12.420 1.00 0.00 O ATOM 90 CB GLU A 9 34.569 -1.946 10.551 1.00 0.00 C ATOM 91 CG GLU A 9 33.892 -1.173 9.401 1.00 0.00 C ATOM 92 CD GLU A 9 33.478 -2.024 8.201 1.00 0.00 C ATOM 93 OE1 GLU A 9 32.332 -2.534 8.176 1.00 0.00 O ATOM 94 OE2 GLU A 9 34.193 -1.989 7.174 1.00 0.00 O ATOM 0 H GLU A 9 35.087 -2.279 13.266 1.00 0.00 H new ATOM 0 HA GLU A 9 35.626 -0.234 11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 9 35.458 -2.462 10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 9 33.896 -2.709 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 9 33.007 -0.671 9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 9 34.573 -0.395 9.057 1.00 0.00 H new ATOM 101 N PRO A 10 33.822 1.105 12.512 1.00 0.00 N ATOM 102 CA PRO A 10 32.667 1.863 12.970 1.00 0.00 C ATOM 103 C PRO A 10 31.806 2.153 11.725 1.00 0.00 C ATOM 104 O PRO A 10 32.338 2.190 10.610 1.00 0.00 O ATOM 105 CB PRO A 10 33.256 3.144 13.563 1.00 0.00 C ATOM 106 CG PRO A 10 34.505 3.386 12.712 1.00 0.00 C ATOM 107 CD PRO A 10 34.975 1.978 12.334 1.00 0.00 C ATOM 0 HA PRO A 10 32.045 1.356 13.708 1.00 0.00 H new ATOM 0 HB2 PRO A 10 32.556 3.977 13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 10 33.505 3.021 14.617 1.00 0.00 H new ATOM 0 HG2 PRO A 10 34.276 3.981 11.828 1.00 0.00 H new ATOM 0 HG3 PRO A 10 35.270 3.926 13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 10 35.330 1.949 11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 10 35.805 1.661 12.966 1.00 0.00 H new ATOM 115 N ARG A 11 30.516 2.475 11.901 1.00 0.00 N ATOM 116 CA ARG A 11 29.585 2.772 10.798 1.00 0.00 C ATOM 117 C ARG A 11 29.406 1.537 9.904 1.00 0.00 C ATOM 118 O ARG A 11 29.828 0.440 10.276 1.00 0.00 O ATOM 119 CB ARG A 11 30.102 4.024 10.047 1.00 0.00 C ATOM 120 CG ARG A 11 29.071 4.851 9.267 1.00 0.00 C ATOM 121 CD ARG A 11 29.373 6.347 9.431 1.00 0.00 C ATOM 122 NE ARG A 11 29.012 6.790 10.785 1.00 0.00 N ATOM 123 CZ ARG A 11 29.201 8.000 11.310 1.00 0.00 C ATOM 124 NH1 ARG A 11 29.725 8.972 10.581 1.00 0.00 N ATOM 125 NH2 ARG A 11 28.832 8.231 12.562 1.00 0.00 N ATOM 0 H ARG A 11 30.083 2.538 12.823 1.00 0.00 H new ATOM 0 HA ARG A 11 28.588 3.004 11.172 1.00 0.00 H new ATOM 0 HB2 ARG A 11 30.581 4.680 10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 11 30.875 3.704 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 11 29.096 4.579 8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 11 28.066 4.632 9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 11 30.431 6.534 9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 11 28.816 6.922 8.691 1.00 0.00 H new ATOM 0 HE ARG A 11 28.569 6.097 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 11 29.987 8.797 9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 11 29.867 9.896 10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 11 28.408 7.486 13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.972 9.154 12.973 1.00 0.00 H new ATOM 139 N SER A 12 28.724 1.691 8.765 1.00 0.00 N ATOM 140 CA SER A 12 28.461 0.644 7.775 1.00 0.00 C ATOM 141 C SER A 12 28.005 -0.690 8.384 1.00 0.00 C ATOM 142 O SER A 12 28.368 -1.754 7.878 1.00 0.00 O ATOM 143 CB SER A 12 29.718 0.473 6.911 1.00 0.00 C ATOM 144 OG SER A 12 30.185 1.733 6.460 1.00 0.00 O ATOM 0 H SER A 12 28.323 2.589 8.497 1.00 0.00 H new ATOM 0 HA SER A 12 27.618 0.963 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 12 30.498 -0.025 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 12 29.495 -0.166 6.057 1.00 0.00 H new ATOM 0 HG SER A 12 30.988 1.607 5.912 1.00 0.00 H new ATOM 150 N LEU A 13 27.207 -0.666 9.454 1.00 0.00 N ATOM 151 CA LEU A 13 26.724 -1.859 10.136 1.00 0.00 C ATOM 152 C LEU A 13 25.211 -1.799 10.264 1.00 0.00 C ATOM 153 O LEU A 13 24.674 -1.006 11.045 1.00 0.00 O ATOM 154 CB LEU A 13 27.440 -2.025 11.481 1.00 0.00 C ATOM 155 CG LEU A 13 26.934 -3.227 12.302 1.00 0.00 C ATOM 156 CD1 LEU A 13 27.168 -4.568 11.595 1.00 0.00 C ATOM 157 CD2 LEU A 13 27.656 -3.232 13.651 1.00 0.00 C ATOM 0 H LEU A 13 26.875 0.202 9.875 1.00 0.00 H new ATOM 0 HA LEU A 13 26.957 -2.748 9.551 1.00 0.00 H new ATOM 0 HB2 LEU A 13 28.509 -2.141 11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 13 27.311 -1.115 12.067 1.00 0.00 H new ATOM 0 HG LEU A 13 25.857 -3.117 12.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 26.792 -5.379 12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 13 26.643 -4.572 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 13 28.235 -4.707 11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 13 27.310 -4.077 14.246 1.00 0.00 H new ATOM 0 HD22 LEU A 13 28.730 -3.319 13.488 1.00 0.00 H new ATOM 0 HD23 LEU A 13 27.443 -2.304 14.181 1.00 0.00 H new ATOM 169 N ILE A 14 24.542 -2.610 9.449 1.00 0.00 N ATOM 170 CA ILE A 14 23.098 -2.778 9.364 1.00 0.00 C ATOM 171 C ILE A 14 22.821 -4.281 9.191 1.00 0.00 C ATOM 172 O ILE A 14 23.759 -5.077 9.072 1.00 0.00 O ATOM 173 CB ILE A 14 22.505 -1.933 8.204 1.00 0.00 C ATOM 174 CG1 ILE A 14 22.960 -2.421 6.808 1.00 0.00 C ATOM 175 CG2 ILE A 14 22.823 -0.436 8.392 1.00 0.00 C ATOM 176 CD1 ILE A 14 22.164 -1.785 5.664 1.00 0.00 C ATOM 0 H ILE A 14 25.032 -3.209 8.784 1.00 0.00 H new ATOM 0 HA ILE A 14 22.612 -2.418 10.271 1.00 0.00 H new ATOM 0 HB ILE A 14 21.424 -2.069 8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.018 -2.195 6.677 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.857 -3.505 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.396 0.133 7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.394 -0.088 9.332 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.903 -0.293 8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.529 -2.167 4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.108 -2.033 5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.287 -0.702 5.693 1.00 0.00 H new ATOM 188 N THR A 15 21.551 -4.685 9.197 1.00 0.00 N ATOM 189 CA THR A 15 21.124 -6.069 9.007 1.00 0.00 C ATOM 190 C THR A 15 19.981 -6.058 7.980 1.00 0.00 C ATOM 191 O THR A 15 19.704 -4.999 7.408 1.00 0.00 O ATOM 192 CB THR A 15 20.816 -6.777 10.343 1.00 0.00 C ATOM 193 OG1 THR A 15 19.558 -6.459 10.902 1.00 0.00 O ATOM 194 CG2 THR A 15 21.894 -6.566 11.416 1.00 0.00 C ATOM 0 H THR A 15 20.772 -4.042 9.338 1.00 0.00 H new ATOM 0 HA THR A 15 21.929 -6.682 8.602 1.00 0.00 H new ATOM 0 HB THR A 15 20.802 -7.827 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.441 -6.948 11.743 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.609 -7.093 12.327 1.00 0.00 H new ATOM 0 HG22 THR A 15 22.847 -6.954 11.056 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.993 -5.501 11.628 1.00 0.00 H new ATOM 202 N SER A 16 19.342 -7.189 7.685 1.00 0.00 N ATOM 203 CA SER A 16 18.245 -7.274 6.727 1.00 0.00 C ATOM 204 C SER A 16 17.199 -8.268 7.229 1.00 0.00 C ATOM 205 O SER A 16 17.494 -9.098 8.094 1.00 0.00 O ATOM 206 CB SER A 16 18.803 -7.665 5.351 1.00 0.00 C ATOM 207 OG SER A 16 19.644 -8.801 5.442 1.00 0.00 O ATOM 0 H SER A 16 19.577 -8.085 8.112 1.00 0.00 H new ATOM 0 HA SER A 16 17.753 -6.307 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.980 -7.873 4.668 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.362 -6.828 4.931 1.00 0.00 H new ATOM 0 HG SER A 16 19.984 -9.029 4.551 1.00 0.00 H new ATOM 213 N ASP A 17 15.992 -8.220 6.665 1.00 0.00 N ATOM 214 CA ASP A 17 14.874 -9.086 7.023 1.00 0.00 C ATOM 215 C ASP A 17 14.231 -9.639 5.755 1.00 0.00 C ATOM 216 O ASP A 17 14.329 -9.047 4.673 1.00 0.00 O ATOM 217 CB ASP A 17 13.848 -8.302 7.858 1.00 0.00 C ATOM 218 CG ASP A 17 14.263 -8.188 9.324 1.00 0.00 C ATOM 219 OD1 ASP A 17 14.445 -9.237 9.989 1.00 0.00 O ATOM 220 OD2 ASP A 17 14.422 -7.049 9.819 1.00 0.00 O ATOM 0 H ASP A 17 15.761 -7.557 5.925 1.00 0.00 H new ATOM 0 HA ASP A 17 15.237 -9.920 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.727 -7.304 7.438 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.878 -8.794 7.794 1.00 0.00 H new ATOM 225 N LYS A 18 13.587 -10.804 5.885 1.00 0.00 N ATOM 226 CA LYS A 18 12.900 -11.528 4.816 1.00 0.00 C ATOM 227 C LYS A 18 11.760 -12.302 5.481 1.00 0.00 C ATOM 228 O LYS A 18 12.011 -13.347 6.090 1.00 0.00 O ATOM 229 CB LYS A 18 13.853 -12.515 4.098 1.00 0.00 C ATOM 230 CG LYS A 18 15.114 -11.964 3.403 1.00 0.00 C ATOM 231 CD LYS A 18 14.940 -11.533 1.942 1.00 0.00 C ATOM 232 CE LYS A 18 14.113 -10.255 1.783 1.00 0.00 C ATOM 233 NZ LYS A 18 14.026 -9.833 0.369 1.00 0.00 N ATOM 0 H LYS A 18 13.529 -11.288 6.781 1.00 0.00 H new ATOM 0 HA LYS A 18 12.534 -10.831 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.178 -13.252 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.270 -13.048 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.475 -11.108 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.892 -12.727 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.923 -11.380 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.461 -12.339 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.110 -10.419 2.176 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.560 -9.456 2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.458 -8.964 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.982 -9.652 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.576 -10.585 -0.191 1.00 0.00 H new ATOM 247 N GLY A 19 10.521 -11.822 5.408 1.00 0.00 N ATOM 248 CA GLY A 19 9.378 -12.505 6.011 1.00 0.00 C ATOM 249 C GLY A 19 8.093 -11.838 5.555 1.00 0.00 C ATOM 250 O GLY A 19 7.259 -12.452 4.886 1.00 0.00 O ATOM 0 H GLY A 19 10.281 -10.953 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.376 -13.557 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.452 -12.471 7.098 1.00 0.00 H new ATOM 254 N PHE A 20 7.964 -10.565 5.907 1.00 0.00 N ATOM 255 CA PHE A 20 6.859 -9.679 5.591 1.00 0.00 C ATOM 256 C PHE A 20 7.468 -8.490 4.828 1.00 0.00 C ATOM 257 O PHE A 20 8.688 -8.295 4.863 1.00 0.00 O ATOM 258 CB PHE A 20 6.125 -9.304 6.893 1.00 0.00 C ATOM 259 CG PHE A 20 4.708 -9.838 7.008 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.483 -11.215 7.194 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.612 -8.959 6.926 1.00 0.00 C ATOM 262 CE1 PHE A 20 3.167 -11.708 7.283 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.298 -9.453 7.001 1.00 0.00 C ATOM 264 CZ PHE A 20 2.075 -10.830 7.173 1.00 0.00 C ATOM 0 H PHE A 20 8.681 -10.095 6.460 1.00 0.00 H new ATOM 0 HA PHE A 20 6.097 -10.133 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.706 -9.672 7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.096 -8.218 6.976 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.320 -11.894 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.781 -7.899 6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.996 -12.763 7.436 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.461 -8.775 6.927 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.066 -11.213 7.221 1.00 0.00 H new ATOM 274 N VAL A 21 6.647 -7.724 4.115 1.00 0.00 N ATOM 275 CA VAL A 21 7.053 -6.569 3.319 1.00 0.00 C ATOM 276 C VAL A 21 6.079 -5.426 3.601 1.00 0.00 C ATOM 277 O VAL A 21 4.938 -5.654 4.023 1.00 0.00 O ATOM 278 CB VAL A 21 7.157 -7.000 1.831 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.924 -7.761 1.316 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.417 -5.871 0.825 1.00 0.00 C ATOM 0 H VAL A 21 5.643 -7.897 4.074 1.00 0.00 H new ATOM 0 HA VAL A 21 8.042 -6.196 3.586 1.00 0.00 H new ATOM 0 HB VAL A 21 8.032 -7.649 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.072 -8.028 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.783 -8.667 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.041 -7.128 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.471 -6.286 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.606 -5.145 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.359 -5.379 1.066 1.00 0.00 H new ATOM 290 N THR A 22 6.538 -4.187 3.446 1.00 0.00 N ATOM 291 CA THR A 22 5.713 -3.008 3.675 1.00 0.00 C ATOM 292 C THR A 22 5.255 -2.498 2.304 1.00 0.00 C ATOM 293 O THR A 22 6.004 -2.561 1.329 1.00 0.00 O ATOM 294 CB THR A 22 6.494 -1.980 4.505 1.00 0.00 C ATOM 295 OG1 THR A 22 7.175 -2.613 5.579 1.00 0.00 O ATOM 296 CG2 THR A 22 5.545 -0.950 5.120 1.00 0.00 C ATOM 0 H THR A 22 7.493 -3.974 3.158 1.00 0.00 H new ATOM 0 HA THR A 22 4.822 -3.230 4.262 1.00 0.00 H new ATOM 0 HB THR A 22 7.203 -1.498 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.668 -1.941 6.095 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.118 -0.230 5.704 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.010 -0.429 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.830 -1.456 5.768 1.00 0.00 H new ATOM 304 N MET A 23 4.018 -2.018 2.216 1.00 0.00 N ATOM 305 CA MET A 23 3.381 -1.509 1.010 1.00 0.00 C ATOM 306 C MET A 23 2.848 -0.103 1.286 1.00 0.00 C ATOM 307 O MET A 23 2.521 0.242 2.427 1.00 0.00 O ATOM 308 CB MET A 23 2.238 -2.479 0.660 1.00 0.00 C ATOM 309 CG MET A 23 2.647 -3.639 -0.257 1.00 0.00 C ATOM 310 SD MET A 23 2.644 -3.240 -2.024 1.00 0.00 S ATOM 311 CE MET A 23 2.206 -4.843 -2.748 1.00 0.00 C ATOM 0 H MET A 23 3.402 -1.972 3.028 1.00 0.00 H new ATOM 0 HA MET A 23 4.079 -1.445 0.175 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.831 -2.889 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.436 -1.918 0.180 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.645 -3.973 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.970 -4.476 -0.086 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.715 -4.961 -3.705 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.512 -5.643 -2.073 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.128 -4.890 -2.902 1.00 0.00 H new ATOM 321 N THR A 24 2.782 0.738 0.254 1.00 0.00 N ATOM 322 CA THR A 24 2.285 2.104 0.376 1.00 0.00 C ATOM 323 C THR A 24 1.365 2.414 -0.809 1.00 0.00 C ATOM 324 O THR A 24 1.590 1.927 -1.921 1.00 0.00 O ATOM 325 CB THR A 24 3.460 3.092 0.517 1.00 0.00 C ATOM 326 OG1 THR A 24 4.557 2.513 1.213 1.00 0.00 O ATOM 327 CG2 THR A 24 3.022 4.304 1.328 1.00 0.00 C ATOM 0 H THR A 24 3.073 0.488 -0.691 1.00 0.00 H new ATOM 0 HA THR A 24 1.690 2.214 1.283 1.00 0.00 H new ATOM 0 HB THR A 24 3.763 3.366 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.135 3.223 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.857 4.998 1.424 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.194 4.800 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.702 3.982 2.319 1.00 0.00 H new ATOM 335 N LEU A 25 0.315 3.200 -0.582 1.00 0.00 N ATOM 336 CA LEU A 25 -0.673 3.593 -1.582 1.00 0.00 C ATOM 337 C LEU A 25 -0.770 5.123 -1.563 1.00 0.00 C ATOM 338 O LEU A 25 -0.581 5.727 -0.499 1.00 0.00 O ATOM 339 CB LEU A 25 -2.004 2.894 -1.218 1.00 0.00 C ATOM 340 CG LEU A 25 -3.128 2.993 -2.272 1.00 0.00 C ATOM 341 CD1 LEU A 25 -2.982 1.981 -3.412 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.474 2.665 -1.625 1.00 0.00 C ATOM 0 H LEU A 25 0.122 3.595 0.338 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.405 3.292 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.799 1.840 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.371 3.318 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.066 4.009 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.804 2.105 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.035 2.146 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.002 0.970 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.264 2.736 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.447 1.653 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.672 3.372 -0.819 1.00 0.00 H new ATOM 354 N GLU A 26 -1.052 5.752 -2.705 1.00 0.00 N ATOM 355 CA GLU A 26 -1.191 7.202 -2.860 1.00 0.00 C ATOM 356 C GLU A 26 -2.561 7.461 -3.488 1.00 0.00 C ATOM 357 O GLU A 26 -2.918 6.824 -4.484 1.00 0.00 O ATOM 358 CB GLU A 26 -0.009 7.800 -3.656 1.00 0.00 C ATOM 359 CG GLU A 26 1.241 7.803 -2.763 1.00 0.00 C ATOM 360 CD GLU A 26 2.505 8.429 -3.367 1.00 0.00 C ATOM 361 OE1 GLU A 26 3.329 7.674 -3.932 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.799 9.623 -3.100 1.00 0.00 O ATOM 0 H GLU A 26 -1.195 5.248 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.149 7.711 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.173 7.215 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.245 8.814 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.002 8.335 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.467 6.773 -2.487 1.00 0.00 H new ATOM 369 N SER A 27 -3.334 8.324 -2.834 1.00 0.00 N ATOM 370 CA SER A 27 -4.683 8.752 -3.175 1.00 0.00 C ATOM 371 C SER A 27 -4.669 9.970 -4.108 1.00 0.00 C ATOM 372 O SER A 27 -3.622 10.585 -4.331 1.00 0.00 O ATOM 373 CB SER A 27 -5.398 9.146 -1.867 1.00 0.00 C ATOM 374 OG SER A 27 -5.119 8.263 -0.789 1.00 0.00 O ATOM 0 H SER A 27 -3.003 8.778 -1.982 1.00 0.00 H new ATOM 0 HA SER A 27 -5.193 7.936 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.099 10.156 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.474 9.168 -2.041 1.00 0.00 H new ATOM 0 HG SER A 27 -5.558 7.402 -0.950 1.00 0.00 H new ATOM 380 N LEU A 28 -5.839 10.357 -4.624 1.00 0.00 N ATOM 381 CA LEU A 28 -5.993 11.512 -5.508 1.00 0.00 C ATOM 382 C LEU A 28 -5.962 12.811 -4.696 1.00 0.00 C ATOM 383 O LEU A 28 -5.390 13.805 -5.141 1.00 0.00 O ATOM 384 CB LEU A 28 -7.315 11.431 -6.288 1.00 0.00 C ATOM 385 CG LEU A 28 -7.409 10.280 -7.310 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.795 10.319 -7.960 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.342 10.386 -8.404 1.00 0.00 C ATOM 0 H LEU A 28 -6.715 9.870 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.164 11.506 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.133 11.329 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.466 12.374 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.244 9.342 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.879 9.511 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.560 10.198 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.934 11.276 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.450 9.553 -9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.465 11.326 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.351 10.354 -7.950 1.00 0.00 H new ATOM 399 N GLU A 29 -6.593 12.828 -3.526 1.00 0.00 N ATOM 400 CA GLU A 29 -6.696 13.936 -2.574 1.00 0.00 C ATOM 401 C GLU A 29 -6.918 13.296 -1.199 1.00 0.00 C ATOM 402 O GLU A 29 -7.026 12.066 -1.110 1.00 0.00 O ATOM 403 CB GLU A 29 -7.838 14.903 -2.978 1.00 0.00 C ATOM 404 CG GLU A 29 -7.344 16.326 -3.309 1.00 0.00 C ATOM 405 CD GLU A 29 -7.201 17.269 -2.105 1.00 0.00 C ATOM 406 OE1 GLU A 29 -6.887 16.823 -0.979 1.00 0.00 O ATOM 407 OE2 GLU A 29 -7.420 18.495 -2.270 1.00 0.00 O ATOM 0 H GLU A 29 -7.087 12.001 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.794 14.548 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.360 14.496 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.563 14.957 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.377 16.250 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.035 16.776 -4.022 1.00 0.00 H new ATOM 414 N GLU A 30 -6.999 14.096 -0.138 1.00 0.00 N ATOM 415 CA GLU A 30 -7.202 13.605 1.218 1.00 0.00 C ATOM 416 C GLU A 30 -8.491 12.786 1.340 1.00 0.00 C ATOM 417 O GLU A 30 -9.427 12.928 0.544 1.00 0.00 O ATOM 418 CB GLU A 30 -7.185 14.766 2.221 1.00 0.00 C ATOM 419 CG GLU A 30 -5.750 15.209 2.499 1.00 0.00 C ATOM 420 CD GLU A 30 -5.694 16.362 3.502 1.00 0.00 C ATOM 421 OE1 GLU A 30 -5.641 16.116 4.734 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.700 17.533 3.050 1.00 0.00 O ATOM 0 H GLU A 30 -6.925 15.111 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.375 12.936 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.761 15.603 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.664 14.459 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.177 14.365 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.277 15.516 1.566 1.00 0.00 H new ATOM 429 N ILE A 31 -8.526 11.946 2.372 1.00 0.00 N ATOM 430 CA ILE A 31 -9.614 11.032 2.698 1.00 0.00 C ATOM 431 C ILE A 31 -9.999 11.155 4.182 1.00 0.00 C ATOM 432 O ILE A 31 -9.164 11.509 5.020 1.00 0.00 O ATOM 433 CB ILE A 31 -9.208 9.609 2.237 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.811 9.174 2.747 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.223 9.534 0.696 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.406 7.784 2.247 1.00 0.00 C ATOM 0 H ILE A 31 -7.755 11.883 3.037 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.529 11.287 2.162 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.939 8.926 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.068 9.903 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.809 9.178 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.937 8.532 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.225 9.759 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.518 10.259 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.419 7.531 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.132 7.047 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.379 7.783 1.157 1.00 0.00 H new ATOM 448 N GLN A 32 -11.250 10.814 4.519 1.00 0.00 N ATOM 449 CA GLN A 32 -11.820 10.903 5.864 1.00 0.00 C ATOM 450 C GLN A 32 -11.070 10.134 6.951 1.00 0.00 C ATOM 451 O GLN A 32 -10.740 10.715 7.983 1.00 0.00 O ATOM 452 CB GLN A 32 -13.292 10.443 5.859 1.00 0.00 C ATOM 453 CG GLN A 32 -14.284 11.408 5.190 1.00 0.00 C ATOM 454 CD GLN A 32 -14.733 12.553 6.097 1.00 0.00 C ATOM 455 OE1 GLN A 32 -13.958 13.133 6.848 1.00 0.00 O ATOM 456 NE2 GLN A 32 -16.001 12.924 6.071 1.00 0.00 N ATOM 0 H GLN A 32 -11.915 10.455 3.834 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.729 11.958 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.352 9.479 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.608 10.282 6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.824 11.825 4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.161 10.847 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -16.658 12.451 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.322 13.684 6.671 1.00 0.00 H new ATOM 465 N ASP A 33 -10.927 8.821 6.801 1.00 0.00 N ATOM 466 CA ASP A 33 -10.267 7.906 7.736 1.00 0.00 C ATOM 467 C ASP A 33 -9.961 6.622 6.961 1.00 0.00 C ATOM 468 O ASP A 33 -10.505 6.439 5.864 1.00 0.00 O ATOM 469 CB ASP A 33 -11.232 7.617 8.907 1.00 0.00 C ATOM 470 CG ASP A 33 -10.857 6.404 9.762 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.994 6.517 10.658 1.00 0.00 O ATOM 472 OD2 ASP A 33 -11.471 5.326 9.574 1.00 0.00 O ATOM 0 H ASP A 33 -11.287 8.336 5.979 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.348 8.328 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.276 8.497 9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.234 7.465 8.505 1.00 0.00 H new ATOM 477 N VAL A 34 -9.161 5.714 7.537 1.00 0.00 N ATOM 478 CA VAL A 34 -8.791 4.438 6.930 1.00 0.00 C ATOM 479 C VAL A 34 -10.020 3.640 6.456 1.00 0.00 C ATOM 480 O VAL A 34 -9.870 2.745 5.626 1.00 0.00 O ATOM 481 CB VAL A 34 -7.901 3.592 7.868 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.512 4.183 8.155 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.582 3.261 9.204 1.00 0.00 C ATOM 0 H VAL A 34 -8.746 5.854 8.458 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.202 4.676 6.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.754 2.677 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.964 3.517 8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.963 4.293 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.622 5.159 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.907 2.665 9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.828 4.186 9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.495 2.697 9.017 1.00 0.00 H new ATOM 493 N SER A 35 -11.236 3.914 6.949 1.00 0.00 N ATOM 494 CA SER A 35 -12.438 3.220 6.510 1.00 0.00 C ATOM 495 C SER A 35 -12.639 3.423 4.999 1.00 0.00 C ATOM 496 O SER A 35 -13.117 2.506 4.331 1.00 0.00 O ATOM 497 CB SER A 35 -13.643 3.672 7.345 1.00 0.00 C ATOM 498 OG SER A 35 -13.771 5.082 7.421 1.00 0.00 O ATOM 0 H SER A 35 -11.406 4.623 7.662 1.00 0.00 H new ATOM 0 HA SER A 35 -12.331 2.148 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.553 3.253 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.551 3.267 8.353 1.00 0.00 H new ATOM 0 HG SER A 35 -13.170 5.428 8.113 1.00 0.00 H new ATOM 504 N CYS A 36 -12.260 4.590 4.450 1.00 0.00 N ATOM 505 CA CYS A 36 -12.370 4.896 3.025 1.00 0.00 C ATOM 506 C CYS A 36 -11.489 3.894 2.277 1.00 0.00 C ATOM 507 O CYS A 36 -11.947 3.173 1.388 1.00 0.00 O ATOM 508 CB CYS A 36 -11.913 6.346 2.752 1.00 0.00 C ATOM 509 SG CYS A 36 -12.260 6.806 1.030 1.00 0.00 S ATOM 0 H CYS A 36 -11.864 5.354 4.997 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.403 4.815 2.688 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.427 7.029 3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.846 6.442 2.953 1.00 0.00 H new ATOM 0 HG CYS A 36 -11.871 8.029 0.821 1.00 0.00 H new ATOM 515 N ALA A 37 -10.219 3.828 2.684 1.00 0.00 N ATOM 516 CA ALA A 37 -9.223 2.942 2.117 1.00 0.00 C ATOM 517 C ALA A 37 -9.676 1.483 2.216 1.00 0.00 C ATOM 518 O ALA A 37 -9.588 0.737 1.244 1.00 0.00 O ATOM 519 CB ALA A 37 -7.901 3.183 2.840 1.00 0.00 C ATOM 0 H ALA A 37 -9.854 4.409 3.439 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.089 3.151 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.136 2.525 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.597 4.221 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.024 2.975 3.903 1.00 0.00 H new ATOM 525 N TRP A 38 -10.198 1.053 3.369 1.00 0.00 N ATOM 526 CA TRP A 38 -10.671 -0.314 3.545 1.00 0.00 C ATOM 527 C TRP A 38 -11.779 -0.636 2.555 1.00 0.00 C ATOM 528 O TRP A 38 -11.764 -1.722 1.970 1.00 0.00 O ATOM 529 CB TRP A 38 -11.195 -0.544 4.960 1.00 0.00 C ATOM 530 CG TRP A 38 -10.190 -1.030 5.944 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.832 -0.391 7.076 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.400 -2.260 5.903 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.940 -1.174 7.772 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.628 -2.334 7.098 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.229 -3.305 4.968 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.762 -3.402 7.370 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.376 -4.391 5.240 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.656 -4.449 6.442 1.00 0.00 C ATOM 0 H TRP A 38 -10.302 1.640 4.196 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.819 -0.970 3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.617 0.391 5.329 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.011 -1.265 4.914 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.188 0.580 7.387 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.554 -0.924 8.683 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.762 -3.270 4.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.184 -3.419 8.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.275 -5.187 4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -7.022 -5.297 6.653 1.00 0.00 H new ATOM 549 N LYS A 39 -12.760 0.257 2.395 1.00 0.00 N ATOM 550 CA LYS A 39 -13.862 0.048 1.464 1.00 0.00 C ATOM 551 C LYS A 39 -13.288 -0.126 0.068 1.00 0.00 C ATOM 552 O LYS A 39 -13.647 -1.108 -0.580 1.00 0.00 O ATOM 553 CB LYS A 39 -14.859 1.213 1.527 1.00 0.00 C ATOM 554 CG LYS A 39 -15.678 1.196 2.826 1.00 0.00 C ATOM 555 CD LYS A 39 -16.335 2.560 3.068 1.00 0.00 C ATOM 556 CE LYS A 39 -17.145 2.501 4.363 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.731 3.809 4.702 1.00 0.00 N ATOM 0 H LYS A 39 -12.809 1.139 2.906 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.414 -0.851 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.320 2.157 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.533 1.161 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.444 0.422 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.032 0.943 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.574 3.337 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.983 2.820 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.940 1.762 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.503 2.168 5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.273 3.728 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.971 4.509 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.364 4.115 3.935 1.00 0.00 H new ATOM 571 N GLU A 40 -12.392 0.769 -0.362 1.00 0.00 N ATOM 572 CA GLU A 40 -11.743 0.736 -1.669 1.00 0.00 C ATOM 573 C GLU A 40 -11.055 -0.617 -1.874 1.00 0.00 C ATOM 574 O GLU A 40 -11.385 -1.346 -2.804 1.00 0.00 O ATOM 575 CB GLU A 40 -10.740 1.898 -1.766 1.00 0.00 C ATOM 576 CG GLU A 40 -10.033 1.971 -3.127 1.00 0.00 C ATOM 577 CD GLU A 40 -10.975 2.429 -4.239 1.00 0.00 C ATOM 578 OE1 GLU A 40 -11.669 3.455 -4.064 1.00 0.00 O ATOM 579 OE2 GLU A 40 -11.031 1.775 -5.304 1.00 0.00 O ATOM 0 H GLU A 40 -12.092 1.558 0.210 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.485 0.855 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.262 2.837 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.992 1.791 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.190 2.658 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.627 0.991 -3.377 1.00 0.00 H new ATOM 586 N LEU A 41 -10.129 -0.976 -0.980 1.00 0.00 N ATOM 587 CA LEU A 41 -9.382 -2.229 -1.017 1.00 0.00 C ATOM 588 C LEU A 41 -10.323 -3.420 -1.145 1.00 0.00 C ATOM 589 O LEU A 41 -10.141 -4.242 -2.034 1.00 0.00 O ATOM 590 CB LEU A 41 -8.559 -2.385 0.268 1.00 0.00 C ATOM 591 CG LEU A 41 -7.307 -1.497 0.325 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.904 -1.393 1.796 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.154 -2.056 -0.516 1.00 0.00 C ATOM 0 H LEU A 41 -9.874 -0.384 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.722 -2.201 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.194 -2.154 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.256 -3.427 0.368 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.532 -0.517 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.015 -0.769 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.719 -0.948 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.690 -2.388 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.294 -1.391 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.881 -3.045 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.466 -2.130 -1.558 1.00 0.00 H new ATOM 605 N ASN A 42 -11.327 -3.533 -0.270 1.00 0.00 N ATOM 606 CA ASN A 42 -12.277 -4.649 -0.315 1.00 0.00 C ATOM 607 C ASN A 42 -13.002 -4.680 -1.668 1.00 0.00 C ATOM 608 O ASN A 42 -13.277 -5.761 -2.179 1.00 0.00 O ATOM 609 CB ASN A 42 -13.261 -4.601 0.868 1.00 0.00 C ATOM 610 CG ASN A 42 -12.690 -5.154 2.172 1.00 0.00 C ATOM 611 OD1 ASN A 42 -12.978 -6.271 2.594 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.915 -4.367 2.896 1.00 0.00 N ATOM 0 H ASN A 42 -11.503 -2.864 0.479 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.718 -5.580 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.571 -3.568 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.156 -5.166 0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.561 -4.688 3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.670 -3.438 2.554 1.00 0.00 H new ATOM 619 N ARG A 43 -13.286 -3.521 -2.277 1.00 0.00 N ATOM 620 CA ARG A 43 -13.949 -3.401 -3.573 1.00 0.00 C ATOM 621 C ARG A 43 -13.046 -3.784 -4.742 1.00 0.00 C ATOM 622 O ARG A 43 -13.564 -3.989 -5.839 1.00 0.00 O ATOM 623 CB ARG A 43 -14.351 -1.922 -3.771 1.00 0.00 C ATOM 624 CG ARG A 43 -15.833 -1.732 -4.064 1.00 0.00 C ATOM 625 CD ARG A 43 -16.107 -1.748 -5.573 1.00 0.00 C ATOM 626 NE ARG A 43 -17.547 -1.787 -5.854 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.336 -2.840 -5.623 1.00 0.00 C ATOM 628 NH1 ARG A 43 -17.815 -4.043 -5.389 1.00 0.00 N ATOM 629 NH2 ARG A 43 -19.653 -2.695 -5.612 1.00 0.00 N ATOM 0 H ARG A 43 -13.052 -2.617 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.803 -4.079 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.090 -1.359 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.769 -1.502 -4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.406 -2.522 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.172 -0.787 -3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.668 -0.863 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.623 -2.615 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.975 -0.952 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.803 -4.168 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.428 -4.839 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.067 -1.778 -5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.253 -3.501 -5.435 1.00 0.00 H new ATOM 643 N LYS A 44 -11.729 -3.881 -4.546 1.00 0.00 N ATOM 644 CA LYS A 44 -10.776 -4.197 -5.609 1.00 0.00 C ATOM 645 C LYS A 44 -9.911 -5.416 -5.317 1.00 0.00 C ATOM 646 O LYS A 44 -9.080 -5.747 -6.159 1.00 0.00 O ATOM 647 CB LYS A 44 -9.885 -2.962 -5.852 1.00 0.00 C ATOM 648 CG LYS A 44 -10.654 -1.671 -6.180 1.00 0.00 C ATOM 649 CD LYS A 44 -11.295 -1.671 -7.577 1.00 0.00 C ATOM 650 CE LYS A 44 -12.696 -1.058 -7.512 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.154 -0.596 -8.835 1.00 0.00 N ATOM 0 H LYS A 44 -11.291 -3.741 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.353 -4.450 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.275 -2.790 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.201 -3.180 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.433 -1.523 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.973 -0.823 -6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.674 -1.105 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.353 -2.690 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.397 -1.795 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.694 -0.220 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.006 -0.011 -8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.404 -0.033 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.375 -1.418 -9.432 1.00 0.00 H new ATOM 665 N LEU A 45 -10.069 -6.081 -4.175 1.00 0.00 N ATOM 666 CA LEU A 45 -9.284 -7.249 -3.794 1.00 0.00 C ATOM 667 C LEU A 45 -10.221 -8.376 -3.389 1.00 0.00 C ATOM 668 O LEU A 45 -11.427 -8.173 -3.205 1.00 0.00 O ATOM 669 CB LEU A 45 -8.353 -6.897 -2.615 1.00 0.00 C ATOM 670 CG LEU A 45 -7.316 -5.793 -2.902 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.540 -5.482 -1.628 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.352 -6.197 -4.013 1.00 0.00 C ATOM 0 H LEU A 45 -10.762 -5.816 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.677 -7.566 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.966 -6.586 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.824 -7.799 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.852 -4.905 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.807 -4.701 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.230 -5.141 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.028 -6.381 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.637 -5.392 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.817 -7.101 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.912 -6.387 -4.929 1.00 0.00 H new ATOM 684 N SER A 46 -9.670 -9.579 -3.253 1.00 0.00 N ATOM 685 CA SER A 46 -10.418 -10.761 -2.857 1.00 0.00 C ATOM 686 C SER A 46 -10.584 -10.749 -1.337 1.00 0.00 C ATOM 687 O SER A 46 -9.672 -10.298 -0.642 1.00 0.00 O ATOM 688 CB SER A 46 -9.621 -12.007 -3.246 1.00 0.00 C ATOM 689 OG SER A 46 -9.220 -11.985 -4.604 1.00 0.00 O ATOM 0 H SER A 46 -8.680 -9.759 -3.417 1.00 0.00 H new ATOM 0 HA SER A 46 -11.391 -10.768 -3.348 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.739 -12.085 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.226 -12.895 -3.062 1.00 0.00 H new ATOM 0 HG SER A 46 -8.713 -12.798 -4.809 1.00 0.00 H new ATOM 695 N SER A 47 -11.649 -11.351 -0.799 1.00 0.00 N ATOM 696 CA SER A 47 -11.875 -11.401 0.648 1.00 0.00 C ATOM 697 C SER A 47 -10.738 -12.148 1.365 1.00 0.00 C ATOM 698 O SER A 47 -10.567 -12.006 2.574 1.00 0.00 O ATOM 699 CB SER A 47 -13.211 -12.081 0.968 1.00 0.00 C ATOM 700 OG SER A 47 -14.245 -11.675 0.086 1.00 0.00 O ATOM 0 H SER A 47 -12.373 -11.814 -1.349 1.00 0.00 H new ATOM 0 HA SER A 47 -11.900 -10.372 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.089 -13.163 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.498 -11.848 1.993 1.00 0.00 H new ATOM 0 HG SER A 47 -15.078 -12.134 0.325 1.00 0.00 H new ATOM 706 N ASN A 48 -9.988 -12.991 0.645 1.00 0.00 N ATOM 707 CA ASN A 48 -8.867 -13.738 1.199 1.00 0.00 C ATOM 708 C ASN A 48 -7.658 -12.806 1.260 1.00 0.00 C ATOM 709 O ASN A 48 -7.173 -12.490 2.345 1.00 0.00 O ATOM 710 CB ASN A 48 -8.575 -15.001 0.376 1.00 0.00 C ATOM 711 CG ASN A 48 -8.062 -16.093 1.301 1.00 0.00 C ATOM 712 OD1 ASN A 48 -7.037 -15.948 1.963 1.00 0.00 O ATOM 713 ND2 ASN A 48 -8.813 -17.173 1.426 1.00 0.00 N ATOM 0 H ASN A 48 -10.149 -13.171 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.110 -14.082 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.479 -15.335 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.836 -14.784 -0.395 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.546 -17.907 2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.660 -17.273 0.866 1.00 0.00 H new ATOM 720 N ALA A 49 -7.235 -12.291 0.099 1.00 0.00 N ATOM 721 CA ALA A 49 -6.105 -11.383 -0.056 1.00 0.00 C ATOM 722 C ALA A 49 -6.208 -10.178 0.881 1.00 0.00 C ATOM 723 O ALA A 49 -5.273 -9.894 1.629 1.00 0.00 O ATOM 724 CB ALA A 49 -6.031 -10.911 -1.516 1.00 0.00 C ATOM 0 H ALA A 49 -7.691 -12.507 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.196 -11.923 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.187 -10.232 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.900 -11.773 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.954 -10.393 -1.778 1.00 0.00 H new ATOM 730 N VAL A 50 -7.364 -9.506 0.899 1.00 0.00 N ATOM 731 CA VAL A 50 -7.585 -8.326 1.727 1.00 0.00 C ATOM 732 C VAL A 50 -7.359 -8.590 3.226 1.00 0.00 C ATOM 733 O VAL A 50 -7.045 -7.658 3.968 1.00 0.00 O ATOM 734 CB VAL A 50 -8.965 -7.714 1.387 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.119 -8.338 2.183 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.983 -6.194 1.581 1.00 0.00 C ATOM 0 H VAL A 50 -8.173 -9.770 0.336 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.828 -7.579 1.489 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.121 -7.945 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.057 -7.863 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.172 -9.406 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.948 -8.189 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.971 -5.807 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.753 -5.957 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.238 -5.735 0.931 1.00 0.00 H new ATOM 746 N SER A 51 -7.515 -9.836 3.699 1.00 0.00 N ATOM 747 CA SER A 51 -7.313 -10.138 5.111 1.00 0.00 C ATOM 748 C SER A 51 -5.841 -10.000 5.517 1.00 0.00 C ATOM 749 O SER A 51 -5.557 -9.718 6.684 1.00 0.00 O ATOM 750 CB SER A 51 -7.890 -11.512 5.486 1.00 0.00 C ATOM 751 OG SER A 51 -7.182 -12.608 4.928 1.00 0.00 O ATOM 0 H SER A 51 -7.778 -10.638 3.126 1.00 0.00 H new ATOM 0 HA SER A 51 -7.868 -9.395 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.893 -11.609 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.929 -11.560 5.159 1.00 0.00 H new ATOM 0 HG SER A 51 -7.451 -12.729 3.993 1.00 0.00 H new ATOM 757 N GLN A 52 -4.907 -10.165 4.571 1.00 0.00 N ATOM 758 CA GLN A 52 -3.474 -10.077 4.830 1.00 0.00 C ATOM 759 C GLN A 52 -3.028 -8.672 5.237 1.00 0.00 C ATOM 760 O GLN A 52 -1.961 -8.535 5.833 1.00 0.00 O ATOM 761 CB GLN A 52 -2.667 -10.503 3.587 1.00 0.00 C ATOM 762 CG GLN A 52 -3.020 -11.858 2.951 1.00 0.00 C ATOM 763 CD GLN A 52 -3.069 -13.019 3.934 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.335 -13.074 4.917 1.00 0.00 O ATOM 765 NE2 GLN A 52 -3.914 -14.003 3.675 1.00 0.00 N ATOM 0 H GLN A 52 -5.133 -10.365 3.597 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.280 -10.753 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.786 -9.731 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.612 -10.522 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.989 -11.773 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.287 -12.084 2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.521 -13.952 2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.958 -14.813 4.293 1.00 0.00 H new ATOM 774 N ILE A 53 -3.818 -7.641 4.923 1.00 0.00 N ATOM 775 CA ILE A 53 -3.527 -6.247 5.230 1.00 0.00 C ATOM 776 C ILE A 53 -3.453 -6.062 6.739 1.00 0.00 C ATOM 777 O ILE A 53 -4.481 -6.028 7.429 1.00 0.00 O ATOM 778 CB ILE A 53 -4.572 -5.322 4.565 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.439 -5.465 3.041 1.00 0.00 C ATOM 780 CG2 ILE A 53 -4.407 -3.846 4.968 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.424 -4.627 2.229 1.00 0.00 C ATOM 0 H ILE A 53 -4.704 -7.763 4.433 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.557 -5.969 4.819 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.561 -5.627 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.425 -5.189 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.572 -6.514 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.168 -3.246 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.518 -3.749 6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.418 -3.496 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.253 -4.794 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.444 -4.917 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.279 -3.571 2.458 1.00 0.00 H new ATOM 793 N THR A 54 -2.241 -5.961 7.262 1.00 0.00 N ATOM 794 CA THR A 54 -1.980 -5.753 8.670 1.00 0.00 C ATOM 795 C THR A 54 -1.335 -4.372 8.787 1.00 0.00 C ATOM 796 O THR A 54 -0.956 -3.751 7.790 1.00 0.00 O ATOM 797 CB THR A 54 -1.183 -6.944 9.230 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.371 -7.098 10.622 1.00 0.00 O ATOM 799 CG2 THR A 54 0.316 -6.917 8.933 1.00 0.00 C ATOM 0 H THR A 54 -1.392 -6.024 6.700 1.00 0.00 H new ATOM 0 HA THR A 54 -2.872 -5.736 9.296 1.00 0.00 H new ATOM 0 HB THR A 54 -1.596 -7.799 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.850 -7.865 10.940 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.789 -7.797 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.473 -6.917 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.756 -6.018 9.364 1.00 0.00 H new ATOM 807 N ARG A 55 -1.231 -3.879 10.019 1.00 0.00 N ATOM 808 CA ARG A 55 -0.637 -2.573 10.334 1.00 0.00 C ATOM 809 C ARG A 55 -1.174 -1.390 9.506 1.00 0.00 C ATOM 810 O ARG A 55 -0.457 -0.400 9.352 1.00 0.00 O ATOM 811 CB ARG A 55 0.893 -2.678 10.221 1.00 0.00 C ATOM 812 CG ARG A 55 1.486 -3.598 11.288 1.00 0.00 C ATOM 813 CD ARG A 55 3.018 -3.583 11.313 1.00 0.00 C ATOM 814 NE ARG A 55 3.570 -2.229 11.478 1.00 0.00 N ATOM 815 CZ ARG A 55 3.555 -1.491 12.595 1.00 0.00 C ATOM 816 NH1 ARG A 55 2.987 -1.937 13.715 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.104 -0.284 12.580 1.00 0.00 N ATOM 0 H ARG A 55 -1.561 -4.381 10.843 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.937 -2.338 11.355 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.158 -3.052 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.332 -1.685 10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.110 -3.299 12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.142 -4.617 11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.370 -4.216 12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.397 -4.015 10.387 1.00 0.00 H new ATOM 0 HE ARG A 55 4.009 -1.810 10.658 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.551 -2.859 13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.988 -1.356 14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.531 0.072 11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.100 0.289 13.424 1.00 0.00 H new ATOM 831 N MET A 56 -2.405 -1.439 8.979 1.00 0.00 N ATOM 832 CA MET A 56 -2.950 -0.344 8.181 1.00 0.00 C ATOM 833 C MET A 56 -2.918 0.975 8.963 1.00 0.00 C ATOM 834 O MET A 56 -3.657 1.127 9.942 1.00 0.00 O ATOM 835 CB MET A 56 -4.374 -0.669 7.716 1.00 0.00 C ATOM 836 CG MET A 56 -4.803 0.314 6.634 1.00 0.00 C ATOM 837 SD MET A 56 -6.587 0.402 6.414 1.00 0.00 S ATOM 838 CE MET A 56 -6.733 -0.469 4.845 1.00 0.00 C ATOM 0 H MET A 56 -3.040 -2.229 9.094 1.00 0.00 H new ATOM 0 HA MET A 56 -2.322 -0.225 7.298 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.417 -1.688 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.062 -0.618 8.560 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.426 1.306 6.884 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.342 0.027 5.689 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.731 -0.315 4.435 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.990 -0.086 4.145 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.566 -1.534 5.003 1.00 0.00 H new ATOM 848 N CYS A 57 -2.070 1.914 8.542 1.00 0.00 N ATOM 849 CA CYS A 57 -1.899 3.221 9.149 1.00 0.00 C ATOM 850 C CYS A 57 -2.022 4.331 8.097 1.00 0.00 C ATOM 851 O CYS A 57 -1.983 4.086 6.887 1.00 0.00 O ATOM 852 CB CYS A 57 -0.547 3.241 9.875 1.00 0.00 C ATOM 853 SG CYS A 57 -0.476 4.560 11.114 1.00 0.00 S ATOM 0 H CYS A 57 -1.462 1.772 7.735 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.687 3.410 9.877 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.378 2.278 10.357 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.254 3.379 9.149 1.00 0.00 H new ATOM 0 HG CYS A 57 0.682 4.539 11.704 1.00 0.00 H new ATOM 859 N LEU A 58 -2.194 5.560 8.579 1.00 0.00 N ATOM 860 CA LEU A 58 -2.330 6.772 7.784 1.00 0.00 C ATOM 861 C LEU A 58 -0.960 7.409 7.558 1.00 0.00 C ATOM 862 O LEU A 58 -0.030 7.228 8.353 1.00 0.00 O ATOM 863 CB LEU A 58 -3.208 7.790 8.544 1.00 0.00 C ATOM 864 CG LEU A 58 -4.698 7.447 8.673 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.461 8.573 9.378 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.345 7.247 7.314 1.00 0.00 C ATOM 0 H LEU A 58 -2.244 5.743 9.581 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.783 6.510 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.798 7.913 9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.122 8.755 8.044 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.750 6.525 9.252 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.515 8.305 9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.049 8.722 10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.363 9.494 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.400 7.006 7.445 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.252 8.162 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.848 6.430 6.791 1.00 0.00 H new ATOM 878 N LEU A 59 -0.846 8.197 6.488 1.00 0.00 N ATOM 879 CA LEU A 59 0.379 8.910 6.140 1.00 0.00 C ATOM 880 C LEU A 59 0.228 10.401 6.436 1.00 0.00 C ATOM 881 O LEU A 59 -0.880 10.920 6.596 1.00 0.00 O ATOM 882 CB LEU A 59 0.751 8.713 4.667 1.00 0.00 C ATOM 883 CG LEU A 59 1.025 7.257 4.277 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.423 7.198 2.806 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.106 6.577 5.120 1.00 0.00 C ATOM 0 H LEU A 59 -1.611 8.358 5.833 1.00 0.00 H new ATOM 0 HA LEU A 59 1.181 8.496 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.057 9.098 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.636 9.309 4.445 1.00 0.00 H new ATOM 0 HG LEU A 59 0.101 6.709 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.619 6.164 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.613 7.594 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.322 7.794 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.240 5.550 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.045 7.119 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.804 6.577 6.167 1.00 0.00 H new ATOM 897 N LYS A 60 1.365 11.094 6.507 1.00 0.00 N ATOM 898 CA LYS A 60 1.453 12.525 6.763 1.00 0.00 C ATOM 899 C LYS A 60 0.703 13.251 5.653 1.00 0.00 C ATOM 900 O LYS A 60 0.980 13.006 4.475 1.00 0.00 O ATOM 901 CB LYS A 60 2.934 12.947 6.779 1.00 0.00 C ATOM 902 CG LYS A 60 3.131 14.439 7.104 1.00 0.00 C ATOM 903 CD LYS A 60 4.514 14.959 6.690 1.00 0.00 C ATOM 904 CE LYS A 60 5.646 14.414 7.561 1.00 0.00 C ATOM 905 NZ LYS A 60 6.945 14.992 7.156 1.00 0.00 N ATOM 0 H LYS A 60 2.278 10.657 6.383 1.00 0.00 H new ATOM 0 HA LYS A 60 1.012 12.775 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.469 12.347 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.378 12.731 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.362 15.021 6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.995 14.594 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.701 14.688 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.516 16.048 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.450 14.647 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.684 13.328 7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.699 14.608 7.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.139 14.749 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.912 16.026 7.259 1.00 0.00 H new ATOM 919 N GLY A 61 -0.199 14.163 5.996 1.00 0.00 N ATOM 920 CA GLY A 61 -0.949 14.920 5.005 1.00 0.00 C ATOM 921 C GLY A 61 -2.110 14.147 4.384 1.00 0.00 C ATOM 922 O GLY A 61 -2.679 14.646 3.425 1.00 0.00 O ATOM 0 H GLY A 61 -0.429 14.396 6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.337 15.826 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.270 15.235 4.213 1.00 0.00 H new ATOM 926 N ASN A 62 -2.438 12.945 4.879 1.00 0.00 N ATOM 927 CA ASN A 62 -3.525 12.048 4.450 1.00 0.00 C ATOM 928 C ASN A 62 -3.616 11.717 2.949 1.00 0.00 C ATOM 929 O ASN A 62 -4.525 10.982 2.562 1.00 0.00 O ATOM 930 CB ASN A 62 -4.875 12.524 5.028 1.00 0.00 C ATOM 931 CG ASN A 62 -5.023 12.122 6.484 1.00 0.00 C ATOM 932 OD1 ASN A 62 -5.685 11.145 6.809 1.00 0.00 O ATOM 933 ND2 ASN A 62 -4.377 12.839 7.383 1.00 0.00 N ATOM 0 H ASN A 62 -1.909 12.541 5.652 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.256 11.081 4.876 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.950 13.608 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.693 12.099 4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.424 12.583 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.831 13.650 7.092 1.00 0.00 H new ATOM 940 N MET A 63 -2.670 12.152 2.116 1.00 0.00 N ATOM 941 CA MET A 63 -2.619 11.911 0.671 1.00 0.00 C ATOM 942 C MET A 63 -2.359 10.439 0.305 1.00 0.00 C ATOM 943 O MET A 63 -2.267 10.110 -0.875 1.00 0.00 O ATOM 944 CB MET A 63 -1.511 12.782 0.053 1.00 0.00 C ATOM 945 CG MET A 63 -1.827 14.281 0.002 1.00 0.00 C ATOM 946 SD MET A 63 -3.293 14.779 -0.950 1.00 0.00 S ATOM 947 CE MET A 63 -3.087 13.791 -2.456 1.00 0.00 C ATOM 0 H MET A 63 -1.881 12.708 2.445 1.00 0.00 H new ATOM 0 HA MET A 63 -3.600 12.171 0.273 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.594 12.637 0.623 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.315 12.431 -0.960 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.949 14.637 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.961 14.797 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.620 14.267 -3.279 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.028 13.720 -2.702 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.490 12.791 -2.293 1.00 0.00 H new ATOM 957 N GLY A 64 -2.204 9.541 1.275 1.00 0.00 N ATOM 958 CA GLY A 64 -1.956 8.134 1.040 1.00 0.00 C ATOM 959 C GLY A 64 -2.047 7.368 2.350 1.00 0.00 C ATOM 960 O GLY A 64 -2.326 7.949 3.406 1.00 0.00 O ATOM 0 H GLY A 64 -2.250 9.784 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.682 7.742 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.969 7.998 0.597 1.00 0.00 H new ATOM 964 N VAL A 65 -1.817 6.059 2.286 1.00 0.00 N ATOM 965 CA VAL A 65 -1.870 5.153 3.428 1.00 0.00 C ATOM 966 C VAL A 65 -0.787 4.069 3.289 1.00 0.00 C ATOM 967 O VAL A 65 -0.267 3.849 2.188 1.00 0.00 O ATOM 968 CB VAL A 65 -3.288 4.553 3.538 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.371 5.584 3.871 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.723 3.780 2.277 1.00 0.00 C ATOM 0 H VAL A 65 -1.582 5.587 1.413 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.665 5.696 4.351 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.200 3.857 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.340 5.088 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.144 6.054 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.401 6.345 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.728 3.385 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.717 4.451 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.032 2.956 2.098 1.00 0.00 H new ATOM 980 N CYS A 66 -0.418 3.403 4.389 1.00 0.00 N ATOM 981 CA CYS A 66 0.580 2.321 4.393 1.00 0.00 C ATOM 982 C CYS A 66 0.052 1.108 5.154 1.00 0.00 C ATOM 983 O CYS A 66 -0.758 1.263 6.074 1.00 0.00 O ATOM 984 CB CYS A 66 1.912 2.763 5.020 1.00 0.00 C ATOM 985 SG CYS A 66 1.676 3.398 6.709 1.00 0.00 S ATOM 0 H CYS A 66 -0.806 3.600 5.312 1.00 0.00 H new ATOM 0 HA CYS A 66 0.761 2.058 3.351 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.603 1.920 5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.369 3.535 4.400 1.00 0.00 H new ATOM 0 HG CYS A 66 2.824 3.758 7.202 1.00 0.00 H new ATOM 991 N PHE A 67 0.492 -0.087 4.772 1.00 0.00 N ATOM 992 CA PHE A 67 0.128 -1.349 5.397 1.00 0.00 C ATOM 993 C PHE A 67 1.268 -2.339 5.184 1.00 0.00 C ATOM 994 O PHE A 67 2.188 -2.105 4.397 1.00 0.00 O ATOM 995 CB PHE A 67 -1.231 -1.894 4.910 1.00 0.00 C ATOM 996 CG PHE A 67 -1.485 -2.008 3.412 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.786 -2.929 2.609 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.523 -1.255 2.834 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.081 -3.036 1.235 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.807 -1.343 1.467 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.077 -2.227 0.658 1.00 0.00 C ATOM 0 H PHE A 67 1.136 -0.205 3.989 1.00 0.00 H new ATOM 0 HA PHE A 67 -0.013 -1.186 6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.362 -2.886 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.010 -1.257 5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.022 -3.555 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.111 -0.597 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.540 -3.742 0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.586 -0.732 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.279 -2.286 -0.401 1.00 0.00 H new ATOM 1011 N ASP A 68 1.186 -3.473 5.863 1.00 0.00 N ATOM 1012 CA ASP A 68 2.162 -4.545 5.822 1.00 0.00 C ATOM 1013 C ASP A 68 1.424 -5.780 5.299 1.00 0.00 C ATOM 1014 O ASP A 68 0.236 -5.959 5.583 1.00 0.00 O ATOM 1015 CB ASP A 68 2.746 -4.747 7.233 1.00 0.00 C ATOM 1016 CG ASP A 68 3.661 -3.606 7.717 1.00 0.00 C ATOM 1017 OD1 ASP A 68 3.181 -2.474 7.923 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.860 -3.852 7.991 1.00 0.00 O ATOM 0 H ASP A 68 0.403 -3.678 6.484 1.00 0.00 H new ATOM 0 HA ASP A 68 3.006 -4.329 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.924 -4.860 7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.310 -5.679 7.248 1.00 0.00 H new ATOM 1023 N VAL A 69 2.105 -6.615 4.511 1.00 0.00 N ATOM 1024 CA VAL A 69 1.586 -7.845 3.903 1.00 0.00 C ATOM 1025 C VAL A 69 2.723 -8.871 3.777 1.00 0.00 C ATOM 1026 O VAL A 69 3.893 -8.479 3.761 1.00 0.00 O ATOM 1027 CB VAL A 69 0.921 -7.560 2.531 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.468 -6.924 2.659 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.770 -6.649 1.632 1.00 0.00 C ATOM 0 H VAL A 69 3.081 -6.445 4.267 1.00 0.00 H new ATOM 0 HA VAL A 69 0.810 -8.259 4.547 1.00 0.00 H new ATOM 0 HB VAL A 69 0.831 -8.545 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.881 -6.749 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.126 -7.594 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.386 -5.976 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.252 -6.486 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.927 -5.692 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.734 -7.122 1.441 1.00 0.00 H new ATOM 1039 N PRO A 70 2.434 -10.179 3.668 1.00 0.00 N ATOM 1040 CA PRO A 70 3.477 -11.185 3.550 1.00 0.00 C ATOM 1041 C PRO A 70 4.111 -11.164 2.157 1.00 0.00 C ATOM 1042 O PRO A 70 3.499 -10.758 1.155 1.00 0.00 O ATOM 1043 CB PRO A 70 2.775 -12.519 3.812 1.00 0.00 C ATOM 1044 CG PRO A 70 1.367 -12.265 3.283 1.00 0.00 C ATOM 1045 CD PRO A 70 1.122 -10.811 3.677 1.00 0.00 C ATOM 0 HA PRO A 70 4.291 -11.007 4.253 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.262 -13.342 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.770 -12.773 4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.307 -12.408 2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.637 -12.936 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.446 -10.323 2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.661 -10.744 4.662 1.00 0.00 H new ATOM 1053 N THR A 71 5.339 -11.670 2.060 1.00 0.00 N ATOM 1054 CA THR A 71 6.061 -11.735 0.795 1.00 0.00 C ATOM 1055 C THR A 71 5.441 -12.802 -0.136 1.00 0.00 C ATOM 1056 O THR A 71 5.727 -12.822 -1.332 1.00 0.00 O ATOM 1057 CB THR A 71 7.558 -11.943 1.093 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.785 -13.011 1.992 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.134 -10.669 1.724 1.00 0.00 C ATOM 0 H THR A 71 5.858 -12.045 2.854 1.00 0.00 H new ATOM 0 HA THR A 71 5.970 -10.799 0.245 1.00 0.00 H new ATOM 0 HB THR A 71 8.042 -12.177 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.693 -12.689 2.913 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.193 -10.815 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.013 -9.834 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.605 -10.452 2.652 1.00 0.00 H new ATOM 1067 N THR A 72 4.546 -13.652 0.383 1.00 0.00 N ATOM 1068 CA THR A 72 3.864 -14.719 -0.339 1.00 0.00 C ATOM 1069 C THR A 72 2.577 -14.252 -1.044 1.00 0.00 C ATOM 1070 O THR A 72 2.095 -14.963 -1.925 1.00 0.00 O ATOM 1071 CB THR A 72 3.548 -15.839 0.676 1.00 0.00 C ATOM 1072 OG1 THR A 72 2.875 -15.304 1.805 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.810 -16.526 1.210 1.00 0.00 C ATOM 0 H THR A 72 4.269 -13.607 1.364 1.00 0.00 H new ATOM 0 HA THR A 72 4.519 -15.074 -1.134 1.00 0.00 H new ATOM 0 HB THR A 72 2.936 -16.562 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.679 -16.024 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.528 -17.304 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.360 -16.972 0.381 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.441 -15.791 1.710 1.00 0.00 H new ATOM 1081 N GLU A 73 2.032 -13.068 -0.719 1.00 0.00 N ATOM 1082 CA GLU A 73 0.790 -12.557 -1.325 1.00 0.00 C ATOM 1083 C GLU A 73 0.968 -11.199 -2.009 1.00 0.00 C ATOM 1084 O GLU A 73 0.296 -10.923 -2.999 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.317 -12.512 -0.251 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.621 -13.208 -0.675 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.526 -12.412 -1.617 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.771 -11.227 -1.338 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -3.121 -13.045 -2.526 1.00 0.00 O ATOM 0 H GLU A 73 2.440 -12.438 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 73 0.499 -13.243 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.054 -12.981 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.533 -11.472 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.366 -14.152 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.189 -13.452 0.223 1.00 0.00 H new ATOM 1096 N SER A 74 1.925 -10.383 -1.554 1.00 0.00 N ATOM 1097 CA SER A 74 2.204 -9.052 -2.101 1.00 0.00 C ATOM 1098 C SER A 74 2.431 -9.037 -3.623 1.00 0.00 C ATOM 1099 O SER A 74 2.250 -8.006 -4.267 1.00 0.00 O ATOM 1100 CB SER A 74 3.394 -8.447 -1.352 1.00 0.00 C ATOM 1101 OG SER A 74 4.429 -9.399 -1.193 1.00 0.00 O ATOM 0 H SER A 74 2.539 -10.635 -0.780 1.00 0.00 H new ATOM 0 HA SER A 74 1.314 -8.442 -1.948 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.771 -7.582 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.070 -8.090 -0.374 1.00 0.00 H new ATOM 0 HG SER A 74 4.271 -9.921 -0.379 1.00 0.00 H new ATOM 1107 N GLU A 75 2.886 -10.149 -4.203 1.00 0.00 N ATOM 1108 CA GLU A 75 3.120 -10.283 -5.638 1.00 0.00 C ATOM 1109 C GLU A 75 1.769 -10.404 -6.360 1.00 0.00 C ATOM 1110 O GLU A 75 1.535 -9.724 -7.358 1.00 0.00 O ATOM 1111 CB GLU A 75 4.054 -11.475 -5.914 1.00 0.00 C ATOM 1112 CG GLU A 75 3.694 -12.788 -5.188 1.00 0.00 C ATOM 1113 CD GLU A 75 4.653 -13.943 -5.494 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.734 -13.742 -6.091 1.00 0.00 O ATOM 1115 OE2 GLU A 75 4.332 -15.093 -5.109 1.00 0.00 O ATOM 0 H GLU A 75 3.105 -10.995 -3.678 1.00 0.00 H new ATOM 0 HA GLU A 75 3.623 -9.397 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.063 -11.665 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.068 -11.191 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.687 -12.608 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.683 -13.083 -5.469 1.00 0.00 H new ATOM 1122 N ARG A 76 0.855 -11.238 -5.854 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.474 -11.453 -6.394 1.00 0.00 C ATOM 1124 C ARG A 76 -1.265 -10.151 -6.297 1.00 0.00 C ATOM 1125 O ARG A 76 -2.000 -9.788 -7.211 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.104 -12.586 -5.559 1.00 0.00 C ATOM 1127 CG ARG A 76 -2.098 -13.424 -6.359 1.00 0.00 C ATOM 1128 CD ARG A 76 -3.531 -12.874 -6.369 1.00 0.00 C ATOM 1129 NE ARG A 76 -4.227 -13.150 -5.097 1.00 0.00 N ATOM 1130 CZ ARG A 76 -5.469 -13.628 -4.960 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -6.281 -13.758 -6.003 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -5.909 -14.004 -3.766 1.00 0.00 N ATOM 0 H ARG A 76 1.037 -11.801 -5.023 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.463 -11.740 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.314 -13.233 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.610 -12.156 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.745 -13.501 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.113 -14.435 -5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.508 -11.799 -6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.087 -13.321 -7.193 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.711 -12.958 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.962 -13.491 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.224 -14.125 -5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.300 -13.929 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.856 -14.368 -3.663 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.055 -9.397 -5.221 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.710 -8.125 -4.955 1.00 0.00 C ATOM 1148 C LEU A 77 -1.392 -7.097 -6.023 1.00 0.00 C ATOM 1149 O LEU A 77 -2.233 -6.245 -6.321 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.291 -7.618 -3.571 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.275 -8.169 -2.532 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.628 -8.264 -1.152 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.508 -7.262 -2.527 1.00 0.00 C ATOM 0 H LEU A 77 -0.401 -9.667 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.789 -8.281 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.276 -7.942 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.290 -6.528 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.572 -9.185 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.351 -8.658 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.766 -8.929 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.305 -7.273 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.227 -7.630 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.212 -6.246 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.964 -7.263 -3.517 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.195 -7.164 -6.602 1.00 0.00 N ATOM 1166 CA GLN A 78 0.205 -6.247 -7.651 1.00 0.00 C ATOM 1167 C GLN A 78 -0.634 -6.493 -8.910 1.00 0.00 C ATOM 1168 O GLN A 78 -0.774 -5.576 -9.718 1.00 0.00 O ATOM 1169 CB GLN A 78 1.695 -6.426 -7.968 1.00 0.00 C ATOM 1170 CG GLN A 78 2.539 -5.274 -7.433 1.00 0.00 C ATOM 1171 CD GLN A 78 4.015 -5.482 -7.767 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.384 -5.823 -8.888 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.897 -5.274 -6.811 1.00 0.00 N ATOM 0 H GLN A 78 0.516 -7.853 -6.355 1.00 0.00 H new ATOM 0 HA GLN A 78 0.039 -5.225 -7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.047 -7.363 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.829 -6.502 -9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.193 -4.334 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.413 -5.196 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.585 -4.991 -5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.892 -5.396 -7.000 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.138 -7.715 -9.110 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.959 -8.081 -10.260 1.00 0.00 C ATOM 1184 C ALA A 79 -3.427 -7.742 -10.018 1.00 0.00 C ATOM 1185 O ALA A 79 -4.172 -7.449 -10.952 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.845 -9.583 -10.495 1.00 0.00 C ATOM 0 H ALA A 79 -0.982 -8.488 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.604 -7.521 -11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.456 -9.864 -11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.804 -9.843 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.193 -10.117 -9.611 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.856 -7.802 -8.761 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.222 -7.509 -8.366 1.00 0.00 C ATOM 1194 C GLU A 80 -5.528 -6.015 -8.492 1.00 0.00 C ATOM 1195 O GLU A 80 -6.693 -5.644 -8.619 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.422 -7.957 -6.911 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.537 -9.480 -6.739 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.922 -10.022 -7.112 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.955 -9.342 -6.909 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.998 -11.166 -7.613 1.00 0.00 O ATOM 0 H GLU A 80 -3.253 -8.060 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.902 -8.047 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.586 -7.596 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.323 -7.488 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.783 -9.968 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.318 -9.741 -5.704 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.524 -5.133 -8.449 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.774 -3.705 -8.548 1.00 0.00 C ATOM 1209 C TRP A 81 -5.188 -3.293 -9.965 1.00 0.00 C ATOM 1210 O TRP A 81 -4.360 -3.158 -10.866 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.606 -2.885 -7.988 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.044 -1.610 -7.329 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.731 -0.357 -7.726 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -4.953 -1.457 -6.198 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.405 0.562 -6.941 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.207 -0.066 -6.006 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.644 -2.365 -5.364 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.129 0.387 -5.046 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.560 -1.915 -4.396 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.805 -0.541 -4.237 1.00 0.00 C ATOM 0 H TRP A 81 -3.541 -5.387 -8.347 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.630 -3.474 -7.914 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.058 -3.490 -7.266 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.914 -2.650 -8.797 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.057 -0.110 -8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.321 1.574 -7.040 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.465 -3.425 -5.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.317 1.444 -4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.077 -2.629 -3.772 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.511 -0.199 -3.495 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.489 -3.114 -10.168 1.00 0.00 N ATOM 1232 CA HIS A 82 -7.139 -2.698 -11.400 1.00 0.00 C ATOM 1233 C HIS A 82 -8.443 -1.985 -11.037 1.00 0.00 C ATOM 1234 O HIS A 82 -8.982 -2.172 -9.938 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.433 -3.916 -12.296 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.553 -3.943 -13.516 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -5.192 -4.147 -13.521 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -6.952 -3.690 -14.801 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -4.772 -4.043 -14.792 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.806 -3.748 -15.606 1.00 0.00 N ATOM 0 H HIS A 82 -7.164 -3.268 -9.419 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.483 -2.026 -11.953 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.287 -4.832 -11.723 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.479 -3.896 -12.603 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.609 -4.342 -12.707 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.959 -3.485 -15.132 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.751 -4.177 -15.117 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.955 -1.186 -11.970 1.00 0.00 N ATOM 1249 CA ASP A 83 -10.196 -0.423 -11.873 1.00 0.00 C ATOM 1250 C ASP A 83 -10.249 0.596 -10.723 1.00 0.00 C ATOM 1251 O ASP A 83 -11.349 0.981 -10.321 1.00 0.00 O ATOM 1252 CB ASP A 83 -11.411 -1.372 -11.919 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.588 -2.036 -13.283 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -10.898 -3.038 -13.567 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -12.485 -1.611 -14.044 1.00 0.00 O ATOM 0 H ASP A 83 -8.487 -1.046 -12.866 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.234 0.219 -12.753 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.294 -2.142 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.313 -0.813 -11.672 1.00 0.00 H new ATOM 1260 N SER A 84 -9.114 1.007 -10.138 1.00 0.00 N ATOM 1261 CA SER A 84 -9.067 2.006 -9.075 1.00 0.00 C ATOM 1262 C SER A 84 -8.203 3.158 -9.582 1.00 0.00 C ATOM 1263 O SER A 84 -7.427 3.005 -10.531 1.00 0.00 O ATOM 1264 CB SER A 84 -8.557 1.419 -7.757 1.00 0.00 C ATOM 1265 OG SER A 84 -8.807 2.291 -6.668 1.00 0.00 O ATOM 0 H SER A 84 -8.195 0.647 -10.397 1.00 0.00 H new ATOM 0 HA SER A 84 -10.069 2.368 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.040 0.459 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.487 1.228 -7.833 1.00 0.00 H new ATOM 0 HG SER A 84 -9.658 2.051 -6.245 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.326 4.313 -8.942 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.599 5.531 -9.287 1.00 0.00 C ATOM 1273 C ASP A 85 -6.442 5.788 -8.315 1.00 0.00 C ATOM 1274 O ASP A 85 -5.761 6.801 -8.435 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.562 6.729 -9.328 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.648 6.592 -10.398 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.681 5.945 -10.104 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -9.477 7.136 -11.511 1.00 0.00 O ATOM 0 H ASP A 85 -8.952 4.434 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.165 5.399 -10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.034 6.841 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.992 7.639 -9.512 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.226 4.914 -7.325 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.142 5.075 -6.354 1.00 0.00 C ATOM 1285 C TRP A 86 -3.903 4.366 -6.928 1.00 0.00 C ATOM 1286 O TRP A 86 -4.045 3.383 -7.669 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.539 4.506 -4.981 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.829 4.940 -4.319 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -8.059 4.965 -4.882 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -7.063 5.256 -2.906 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -9.011 5.276 -3.938 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.468 5.373 -2.681 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -6.237 5.406 -1.774 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -9.025 5.538 -1.403 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.776 5.560 -0.483 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -8.169 5.609 -0.295 1.00 0.00 C ATOM 0 H TRP A 86 -6.795 4.081 -7.176 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.925 6.131 -6.193 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.576 3.421 -5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.728 4.736 -4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.265 4.769 -5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.999 5.417 -4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -5.164 5.403 -1.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -10.095 5.609 -1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -6.116 5.641 0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.578 5.701 0.700 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.694 4.816 -6.594 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.437 4.241 -7.091 1.00 0.00 C ATOM 1309 C ILE A 87 -0.871 3.301 -6.022 1.00 0.00 C ATOM 1310 O ILE A 87 -0.751 3.709 -4.867 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.444 5.381 -7.426 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -1.042 6.417 -8.413 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.861 4.801 -8.007 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -0.234 7.717 -8.466 1.00 0.00 C ATOM 0 H ILE A 87 -2.554 5.603 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.609 3.669 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.233 5.902 -6.492 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.085 5.980 -9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.067 6.643 -8.119 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.549 5.614 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.319 4.134 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.638 4.245 -8.918 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.698 8.405 -9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.213 8.173 -7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.785 7.499 -8.787 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.511 2.065 -6.402 1.00 0.00 N ATOM 1327 CA LEU A 88 0.046 1.027 -5.524 1.00 0.00 C ATOM 1328 C LEU A 88 1.555 0.956 -5.721 1.00 0.00 C ATOM 1329 O LEU A 88 2.010 0.854 -6.859 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.573 -0.348 -5.871 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.320 -1.424 -4.788 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -1.392 -1.297 -3.698 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.342 -2.853 -5.340 1.00 0.00 C ATOM 0 H LEU A 88 -0.604 1.750 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.184 1.276 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.647 -0.230 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.163 -0.694 -6.820 1.00 0.00 H new ATOM 0 HG LEU A 88 0.679 -1.248 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.221 -2.052 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.339 -0.305 -3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.378 -1.444 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.158 -3.559 -4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.316 -3.056 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.433 -2.962 -6.099 1.00 0.00 H new ATOM 1345 N SER A 89 2.338 1.036 -4.645 1.00 0.00 N ATOM 1346 CA SER A 89 3.790 0.956 -4.704 1.00 0.00 C ATOM 1347 C SER A 89 4.340 0.111 -3.552 1.00 0.00 C ATOM 1348 O SER A 89 3.626 -0.225 -2.603 1.00 0.00 O ATOM 1349 CB SER A 89 4.379 2.371 -4.697 1.00 0.00 C ATOM 1350 OG SER A 89 5.717 2.324 -5.146 1.00 0.00 O ATOM 0 H SER A 89 1.974 1.159 -3.700 1.00 0.00 H new ATOM 0 HA SER A 89 4.085 0.461 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.791 3.025 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.336 2.790 -3.692 1.00 0.00 H new ATOM 0 HG SER A 89 6.095 3.228 -5.144 1.00 0.00 H new ATOM 1356 N VAL A 90 5.617 -0.245 -3.666 1.00 0.00 N ATOM 1357 CA VAL A 90 6.394 -1.013 -2.706 1.00 0.00 C ATOM 1358 C VAL A 90 7.758 -0.308 -2.631 1.00 0.00 C ATOM 1359 O VAL A 90 8.688 -0.661 -3.366 1.00 0.00 O ATOM 1360 CB VAL A 90 6.406 -2.524 -3.046 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.950 -2.914 -4.428 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.146 -3.346 -1.982 1.00 0.00 C ATOM 0 H VAL A 90 6.168 0.013 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 90 5.960 -1.026 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 90 5.343 -2.763 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.905 -3.997 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.347 -2.441 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.984 -2.582 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.130 -4.400 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.179 -3.005 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.655 -3.218 -1.017 1.00 0.00 H new ATOM 1372 N PRO A 91 7.901 0.733 -1.792 1.00 0.00 N ATOM 1373 CA PRO A 91 9.157 1.462 -1.653 1.00 0.00 C ATOM 1374 C PRO A 91 10.224 0.602 -0.958 1.00 0.00 C ATOM 1375 O PRO A 91 9.988 -0.577 -0.657 1.00 0.00 O ATOM 1376 CB PRO A 91 8.794 2.737 -0.890 1.00 0.00 C ATOM 1377 CG PRO A 91 7.605 2.318 -0.035 1.00 0.00 C ATOM 1378 CD PRO A 91 6.894 1.268 -0.884 1.00 0.00 C ATOM 0 HA PRO A 91 9.609 1.715 -2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.625 3.087 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.533 3.549 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.926 1.907 0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.953 3.163 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.475 0.480 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.066 1.710 -1.438 1.00 0.00 H new ATOM 1386 N ALA A 92 11.425 1.162 -0.773 1.00 0.00 N ATOM 1387 CA ALA A 92 12.549 0.483 -0.126 1.00 0.00 C ATOM 1388 C ALA A 92 12.117 -0.079 1.220 1.00 0.00 C ATOM 1389 O ALA A 92 11.395 0.633 1.943 1.00 0.00 O ATOM 1390 CB ALA A 92 13.736 1.433 0.043 1.00 0.00 C ATOM 0 H ALA A 92 11.644 2.112 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 92 12.867 -0.342 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.558 0.905 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.058 1.790 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.438 2.282 0.659 1.00 0.00 H new TER 1396 ALA A 92