USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 HIS : no HD1:sc= -12.6! C(o=-11!,f=-18!) USER MOD Set 1.2: A 30 TYR OH : rot -117:sc= 1.23 USER MOD Single : A 1 LYS N :NH3+ -134:sc= 0.105 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.126) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.4!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 41:sc= 1.27 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0365 K(o=-0.037,f=-1.6!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.112 (180deg=-0.627) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.913! C(o=-1.5!,f=-0.91!) USER MOD Single : A 40 CYS SG : rot 47:sc= -0.0707 USER MOD Single : A 42 THR OG1 : rot -129:sc= 1.2 USER MOD Single : A 47 TYR OH : rot -46:sc= -7.4! USER MOD Single : A 55 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.2!) USER MOD Single : A 58 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.21) USER MOD Single : A 59 SER OG : rot -100:sc= -1.05 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0.463 (180deg=-0.897!) USER MOD Single : A 61 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.97) USER MOD Single : A 63 THR OG1 : rot -69:sc= -0.834! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -111:sc= -1.72 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.209 4.257 8.763 1.00 0.00 N ATOM 2 CA LYS A 1 -7.077 4.370 9.726 1.00 0.00 C ATOM 3 C LYS A 1 -5.854 4.946 9.009 1.00 0.00 C ATOM 4 O LYS A 1 -5.908 5.290 7.844 1.00 0.00 O ATOM 5 CB LYS A 1 -6.738 2.984 10.278 1.00 0.00 C ATOM 6 CG LYS A 1 -6.196 3.119 11.703 1.00 0.00 C ATOM 7 CD LYS A 1 -6.828 2.047 12.594 1.00 0.00 C ATOM 8 CE LYS A 1 -6.879 2.549 14.038 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.996 3.524 14.185 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.076 4.629 9.201 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.991 4.804 7.906 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.351 3.258 8.510 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.361 5.029 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.626 2.352 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.999 2.498 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.111 3.013 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.419 4.111 12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.833 1.814 12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.249 1.125 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.021 1.711 14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.933 3.020 14.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.231 3.634 15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.708 4.444 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.831 3.176 13.671 1.00 0.00 H new ATOM 25 N LYS A 2 -4.751 5.061 9.696 1.00 0.00 N ATOM 26 CA LYS A 2 -3.535 5.617 9.050 1.00 0.00 C ATOM 27 C LYS A 2 -2.511 4.499 8.821 1.00 0.00 C ATOM 28 O LYS A 2 -2.342 3.615 9.637 1.00 0.00 O ATOM 29 CB LYS A 2 -2.955 6.727 9.940 1.00 0.00 C ATOM 30 CG LYS A 2 -1.775 6.207 10.766 1.00 0.00 C ATOM 31 CD LYS A 2 -1.146 7.364 11.546 1.00 0.00 C ATOM 32 CE LYS A 2 -0.055 8.019 10.696 1.00 0.00 C ATOM 33 NZ LYS A 2 0.683 9.018 11.519 1.00 0.00 N ATOM 0 H LYS A 2 -4.642 4.794 10.674 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.789 6.044 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.630 7.562 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.730 7.107 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.113 5.432 11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.033 5.750 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.909 8.098 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.723 6.998 12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.633 7.261 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.499 8.505 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.425 9.463 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.022 9.747 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.118 8.542 12.335 1.00 0.00 H new ATOM 47 N ALA A 3 -1.833 4.541 7.712 1.00 0.00 N ATOM 48 CA ALA A 3 -0.817 3.495 7.407 1.00 0.00 C ATOM 49 C ALA A 3 0.569 4.136 7.289 1.00 0.00 C ATOM 50 O ALA A 3 0.699 5.324 7.070 1.00 0.00 O ATOM 51 CB ALA A 3 -1.177 2.816 6.084 1.00 0.00 C ATOM 0 H ALA A 3 -1.938 5.260 6.996 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.804 2.758 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.437 2.049 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.162 2.356 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.189 3.558 5.286 1.00 0.00 H new ATOM 57 N VAL A 4 1.605 3.355 7.433 1.00 0.00 N ATOM 58 CA VAL A 4 2.987 3.909 7.331 1.00 0.00 C ATOM 59 C VAL A 4 3.893 2.899 6.621 1.00 0.00 C ATOM 60 O VAL A 4 4.234 1.869 7.167 1.00 0.00 O ATOM 61 CB VAL A 4 3.531 4.172 8.736 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.974 4.673 8.642 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.663 5.228 9.424 1.00 0.00 C ATOM 0 H VAL A 4 1.554 2.353 7.618 1.00 0.00 H new ATOM 0 HA VAL A 4 2.964 4.840 6.764 1.00 0.00 H new ATOM 0 HB VAL A 4 3.509 3.249 9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.360 4.860 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.589 3.919 8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.001 5.597 8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.047 5.418 10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.686 6.151 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.637 4.867 9.492 1.00 0.00 H new ATOM 73 N ILE A 5 4.290 3.182 5.408 1.00 0.00 N ATOM 74 CA ILE A 5 5.173 2.226 4.679 1.00 0.00 C ATOM 75 C ILE A 5 6.637 2.558 4.956 1.00 0.00 C ATOM 76 O ILE A 5 7.238 3.375 4.290 1.00 0.00 O ATOM 77 CB ILE A 5 4.912 2.313 3.177 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.391 2.234 2.930 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.652 1.162 2.481 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.061 1.275 1.777 1.00 0.00 C ATOM 0 H ILE A 5 4.043 4.028 4.894 1.00 0.00 H new ATOM 0 HA ILE A 5 4.956 1.215 5.025 1.00 0.00 H new ATOM 0 HB ILE A 5 5.278 3.256 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.890 1.900 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.006 3.228 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.474 1.212 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.721 1.246 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.287 0.210 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.982 1.242 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.542 1.625 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.425 0.276 2.019 1.00 0.00 H new ATOM 92 N ASN A 6 7.219 1.923 5.930 1.00 0.00 N ATOM 93 CA ASN A 6 8.645 2.193 6.248 1.00 0.00 C ATOM 94 C ASN A 6 9.534 1.403 5.283 1.00 0.00 C ATOM 95 O ASN A 6 9.920 0.284 5.557 1.00 0.00 O ATOM 96 CB ASN A 6 8.922 1.755 7.685 1.00 0.00 C ATOM 97 CG ASN A 6 8.479 2.857 8.649 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.425 4.015 8.284 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.158 2.544 9.875 1.00 0.00 N ATOM 0 H ASN A 6 6.767 1.226 6.522 1.00 0.00 H new ATOM 0 HA ASN A 6 8.859 3.257 6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.389 0.830 7.904 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.984 1.549 7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.862 3.271 10.526 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.203 1.572 10.182 1.00 0.00 H new ATOM 106 N GLY A 7 9.858 1.973 4.152 1.00 0.00 N ATOM 107 CA GLY A 7 10.716 1.247 3.172 1.00 0.00 C ATOM 108 C GLY A 7 12.066 0.926 3.812 1.00 0.00 C ATOM 109 O GLY A 7 12.570 -0.174 3.703 1.00 0.00 O ATOM 0 H GLY A 7 9.566 2.907 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.225 0.327 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.861 1.855 2.279 1.00 0.00 H new ATOM 113 N GLU A 8 12.657 1.878 4.481 1.00 0.00 N ATOM 114 CA GLU A 8 13.973 1.622 5.129 1.00 0.00 C ATOM 115 C GLU A 8 13.929 0.270 5.844 1.00 0.00 C ATOM 116 O GLU A 8 14.941 -0.373 6.040 1.00 0.00 O ATOM 117 CB GLU A 8 14.266 2.728 6.145 1.00 0.00 C ATOM 118 CG GLU A 8 13.114 2.821 7.146 1.00 0.00 C ATOM 119 CD GLU A 8 13.674 3.058 8.550 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.756 3.613 8.648 1.00 0.00 O ATOM 121 OE2 GLU A 8 13.011 2.682 9.502 1.00 0.00 O ATOM 0 H GLU A 8 12.286 2.820 4.606 1.00 0.00 H new ATOM 0 HA GLU A 8 14.757 1.610 4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.199 2.518 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.395 3.682 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.443 3.634 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.527 1.903 7.127 1.00 0.00 H new ATOM 128 N GLN A 9 12.763 -0.165 6.237 1.00 0.00 N ATOM 129 CA GLN A 9 12.651 -1.470 6.941 1.00 0.00 C ATOM 130 C GLN A 9 12.348 -2.578 5.929 1.00 0.00 C ATOM 131 O GLN A 9 12.932 -3.643 5.966 1.00 0.00 O ATOM 132 CB GLN A 9 11.522 -1.390 7.967 1.00 0.00 C ATOM 133 CG GLN A 9 11.830 -0.286 8.981 1.00 0.00 C ATOM 134 CD GLN A 9 12.749 -0.835 10.073 1.00 0.00 C ATOM 135 OE1 GLN A 9 13.948 -0.644 10.026 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.234 -1.512 11.063 1.00 0.00 N ATOM 0 H GLN A 9 11.882 0.330 6.100 1.00 0.00 H new ATOM 0 HA GLN A 9 13.591 -1.695 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.576 -1.185 7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.412 -2.347 8.477 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.306 0.558 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.905 0.085 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.227 -1.672 11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.838 -1.881 11.797 1.00 0.00 H new ATOM 145 N ILE A 10 11.437 -2.337 5.027 1.00 0.00 N ATOM 146 CA ILE A 10 11.091 -3.370 4.017 1.00 0.00 C ATOM 147 C ILE A 10 12.354 -4.031 3.482 1.00 0.00 C ATOM 148 O ILE A 10 13.388 -3.411 3.326 1.00 0.00 O ATOM 149 CB ILE A 10 10.323 -2.707 2.881 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.880 -2.516 3.322 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.356 -3.581 1.622 1.00 0.00 C ATOM 152 CD1 ILE A 10 8.166 -1.683 2.277 1.00 0.00 C ATOM 0 H ILE A 10 10.916 -1.464 4.948 1.00 0.00 H new ATOM 0 HA ILE A 10 10.474 -4.141 4.479 1.00 0.00 H new ATOM 0 HB ILE A 10 10.784 -1.748 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.388 -3.482 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.842 -2.021 4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.802 -3.089 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.389 -3.729 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.900 -4.547 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.128 -1.535 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.658 -0.715 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.197 -2.199 1.317 1.00 0.00 H new ATOM 164 N ARG A 11 12.262 -5.294 3.201 1.00 0.00 N ATOM 165 CA ARG A 11 13.422 -6.038 2.674 1.00 0.00 C ATOM 166 C ARG A 11 13.037 -6.693 1.347 1.00 0.00 C ATOM 167 O ARG A 11 13.866 -7.247 0.654 1.00 0.00 O ATOM 168 CB ARG A 11 13.805 -7.113 3.684 1.00 0.00 C ATOM 169 CG ARG A 11 14.534 -6.464 4.860 1.00 0.00 C ATOM 170 CD ARG A 11 14.244 -7.250 6.141 1.00 0.00 C ATOM 171 NE ARG A 11 14.574 -8.687 5.928 1.00 0.00 N ATOM 172 CZ ARG A 11 14.691 -9.487 6.951 1.00 0.00 C ATOM 173 NH1 ARG A 11 15.576 -9.237 7.878 1.00 0.00 N ATOM 174 NH2 ARG A 11 13.924 -10.538 7.050 1.00 0.00 N ATOM 0 H ARG A 11 11.415 -5.850 3.318 1.00 0.00 H new ATOM 0 HA ARG A 11 14.264 -5.365 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.913 -7.632 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.444 -7.860 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.607 -6.443 4.669 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.211 -5.429 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.832 -6.850 6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.195 -7.144 6.416 1.00 0.00 H new ATOM 0 HE ARG A 11 14.708 -9.045 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.176 -8.416 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.667 -9.863 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.232 -10.734 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.016 -11.163 7.851 1.00 0.00 H new ATOM 188 N SER A 12 11.780 -6.636 0.986 1.00 0.00 N ATOM 189 CA SER A 12 11.356 -7.263 -0.299 1.00 0.00 C ATOM 190 C SER A 12 9.873 -6.984 -0.571 1.00 0.00 C ATOM 191 O SER A 12 9.149 -6.480 0.271 1.00 0.00 O ATOM 192 CB SER A 12 11.578 -8.774 -0.220 1.00 0.00 C ATOM 193 OG SER A 12 12.870 -9.086 -0.724 1.00 0.00 O ATOM 0 H SER A 12 11.037 -6.187 1.521 1.00 0.00 H new ATOM 0 HA SER A 12 11.948 -6.838 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.486 -9.113 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.814 -9.296 -0.797 1.00 0.00 H new ATOM 0 HG SER A 12 13.515 -8.419 -0.407 1.00 0.00 H new ATOM 199 N ILE A 13 9.416 -7.316 -1.750 1.00 0.00 N ATOM 200 CA ILE A 13 7.986 -7.083 -2.090 1.00 0.00 C ATOM 201 C ILE A 13 7.106 -7.703 -1.006 1.00 0.00 C ATOM 202 O ILE A 13 6.199 -7.075 -0.499 1.00 0.00 O ATOM 203 CB ILE A 13 7.668 -7.727 -3.441 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.228 -7.396 -3.840 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.826 -9.242 -3.329 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.972 -5.900 -3.645 1.00 0.00 C ATOM 0 H ILE A 13 9.974 -7.739 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 13 7.793 -6.012 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 13 8.352 -7.341 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.056 -7.672 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.530 -7.976 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.600 -9.703 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.851 -9.481 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.140 -9.624 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.946 -5.666 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.127 -5.638 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.660 -5.329 -4.268 1.00 0.00 H new ATOM 218 N SER A 14 7.374 -8.926 -0.630 1.00 0.00 N ATOM 219 CA SER A 14 6.554 -9.559 0.437 1.00 0.00 C ATOM 220 C SER A 14 6.458 -8.575 1.596 1.00 0.00 C ATOM 221 O SER A 14 5.408 -8.364 2.168 1.00 0.00 O ATOM 222 CB SER A 14 7.231 -10.845 0.910 1.00 0.00 C ATOM 223 OG SER A 14 6.341 -11.559 1.758 1.00 0.00 O ATOM 0 H SER A 14 8.119 -9.507 -1.013 1.00 0.00 H new ATOM 0 HA SER A 14 5.561 -9.804 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.508 -11.460 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.151 -10.610 1.445 1.00 0.00 H new ATOM 0 HG SER A 14 6.771 -12.385 2.062 1.00 0.00 H new ATOM 229 N ASP A 15 7.557 -7.961 1.932 1.00 0.00 N ATOM 230 CA ASP A 15 7.562 -6.971 3.034 1.00 0.00 C ATOM 231 C ASP A 15 6.607 -5.831 2.697 1.00 0.00 C ATOM 232 O ASP A 15 5.878 -5.349 3.535 1.00 0.00 O ATOM 233 CB ASP A 15 8.966 -6.394 3.186 1.00 0.00 C ATOM 234 CG ASP A 15 9.489 -6.670 4.596 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.912 -7.788 4.841 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.457 -5.760 5.408 1.00 0.00 O ATOM 0 H ASP A 15 8.461 -8.107 1.482 1.00 0.00 H new ATOM 0 HA ASP A 15 7.252 -7.459 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.633 -6.838 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.950 -5.321 2.998 1.00 0.00 H new ATOM 241 N LEU A 16 6.620 -5.392 1.472 1.00 0.00 N ATOM 242 CA LEU A 16 5.723 -4.273 1.069 1.00 0.00 C ATOM 243 C LEU A 16 4.274 -4.663 1.355 1.00 0.00 C ATOM 244 O LEU A 16 3.548 -3.967 2.038 1.00 0.00 O ATOM 245 CB LEU A 16 5.904 -4.011 -0.429 1.00 0.00 C ATOM 246 CG LEU A 16 5.281 -2.666 -0.820 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.625 -1.603 0.225 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.839 -2.231 -2.177 1.00 0.00 C ATOM 0 H LEU A 16 7.214 -5.760 0.729 1.00 0.00 H new ATOM 0 HA LEU A 16 5.969 -3.372 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.965 -4.013 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.440 -4.813 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 16 4.198 -2.777 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.177 -0.652 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.236 -1.908 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.707 -1.491 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.400 -1.275 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.922 -2.127 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.593 -2.981 -2.929 1.00 0.00 H new ATOM 260 N HIS A 17 3.857 -5.781 0.840 1.00 0.00 N ATOM 261 CA HIS A 17 2.468 -6.250 1.068 1.00 0.00 C ATOM 262 C HIS A 17 2.294 -6.596 2.547 1.00 0.00 C ATOM 263 O HIS A 17 1.196 -6.638 3.065 1.00 0.00 O ATOM 264 CB HIS A 17 2.227 -7.497 0.218 1.00 0.00 C ATOM 265 CG HIS A 17 2.610 -7.213 -1.209 1.00 0.00 C ATOM 266 ND1 HIS A 17 2.013 -6.204 -1.948 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.526 -7.799 -2.046 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.572 -6.213 -3.172 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.500 -7.166 -3.285 1.00 0.00 N ATOM 0 H HIS A 17 4.428 -6.398 0.263 1.00 0.00 H new ATOM 0 HA HIS A 17 1.756 -5.472 0.792 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.812 -8.332 0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.179 -7.791 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.169 -8.626 -1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.303 -5.532 -3.966 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.068 -7.383 -4.104 1.00 0.00 H new ATOM 277 N GLN A 18 3.375 -6.843 3.232 1.00 0.00 N ATOM 278 CA GLN A 18 3.284 -7.185 4.669 1.00 0.00 C ATOM 279 C GLN A 18 2.830 -5.955 5.449 1.00 0.00 C ATOM 280 O GLN A 18 1.857 -5.989 6.176 1.00 0.00 O ATOM 281 CB GLN A 18 4.658 -7.626 5.173 1.00 0.00 C ATOM 282 CG GLN A 18 4.695 -9.151 5.293 1.00 0.00 C ATOM 283 CD GLN A 18 5.985 -9.576 5.997 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.538 -8.829 6.780 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.490 -10.754 5.752 1.00 0.00 N ATOM 0 H GLN A 18 4.321 -6.821 2.851 1.00 0.00 H new ATOM 0 HA GLN A 18 2.568 -7.994 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.434 -7.286 4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.865 -7.170 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.829 -9.503 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.641 -9.606 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.026 -11.381 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.349 -11.048 6.218 1.00 0.00 H new ATOM 294 N THR A 19 3.536 -4.869 5.306 1.00 0.00 N ATOM 295 CA THR A 19 3.159 -3.641 6.036 1.00 0.00 C ATOM 296 C THR A 19 1.810 -3.149 5.501 1.00 0.00 C ATOM 297 O THR A 19 0.960 -2.727 6.248 1.00 0.00 O ATOM 298 CB THR A 19 4.267 -2.579 5.862 1.00 0.00 C ATOM 299 OG1 THR A 19 4.813 -2.272 7.136 1.00 0.00 O ATOM 300 CG2 THR A 19 3.713 -1.291 5.248 1.00 0.00 C ATOM 0 H THR A 19 4.360 -4.785 4.711 1.00 0.00 H new ATOM 0 HA THR A 19 3.056 -3.839 7.103 1.00 0.00 H new ATOM 0 HB THR A 19 5.028 -2.984 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.519 -1.600 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.518 -0.564 5.139 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.286 -1.509 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.940 -0.881 5.898 1.00 0.00 H new ATOM 308 N LEU A 20 1.603 -3.209 4.215 1.00 0.00 N ATOM 309 CA LEU A 20 0.307 -2.758 3.660 1.00 0.00 C ATOM 310 C LEU A 20 -0.798 -3.609 4.285 1.00 0.00 C ATOM 311 O LEU A 20 -1.879 -3.152 4.564 1.00 0.00 O ATOM 312 CB LEU A 20 0.307 -2.960 2.146 1.00 0.00 C ATOM 313 CG LEU A 20 1.172 -1.892 1.471 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.039 -2.027 -0.045 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.707 -0.495 1.904 1.00 0.00 C ATOM 0 H LEU A 20 2.277 -3.551 3.530 1.00 0.00 H new ATOM 0 HA LEU A 20 0.145 -1.703 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.687 -3.953 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.713 -2.907 1.765 1.00 0.00 H new ATOM 0 HG LEU A 20 2.213 -2.028 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.652 -1.269 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.373 -3.018 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.003 -1.890 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.326 0.261 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.334 -0.352 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.798 -0.400 2.986 1.00 0.00 H new ATOM 327 N LYS A 21 -0.509 -4.853 4.499 1.00 0.00 N ATOM 328 CA LYS A 21 -1.501 -5.788 5.103 1.00 0.00 C ATOM 329 C LYS A 21 -1.768 -5.399 6.557 1.00 0.00 C ATOM 330 O LYS A 21 -2.893 -5.391 7.006 1.00 0.00 O ATOM 331 CB LYS A 21 -0.937 -7.209 5.063 1.00 0.00 C ATOM 332 CG LYS A 21 -1.991 -8.195 5.570 1.00 0.00 C ATOM 333 CD LYS A 21 -1.343 -9.170 6.555 1.00 0.00 C ATOM 334 CE LYS A 21 -2.323 -9.479 7.689 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.162 -8.470 8.774 1.00 0.00 N ATOM 0 H LYS A 21 0.392 -5.277 4.278 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.433 -5.736 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.644 -7.466 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.040 -7.272 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.804 -7.657 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.426 -8.742 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.063 -10.090 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.427 -8.740 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.346 -9.465 7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.140 -10.480 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.828 -8.680 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.189 -8.504 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.357 -7.521 8.397 1.00 0.00 H new ATOM 349 N LYS A 22 -0.744 -5.082 7.300 1.00 0.00 N ATOM 350 CA LYS A 22 -0.946 -4.698 8.718 1.00 0.00 C ATOM 351 C LYS A 22 -1.761 -3.411 8.762 1.00 0.00 C ATOM 352 O LYS A 22 -2.830 -3.347 9.335 1.00 0.00 O ATOM 353 CB LYS A 22 0.415 -4.460 9.372 1.00 0.00 C ATOM 354 CG LYS A 22 1.199 -5.774 9.410 1.00 0.00 C ATOM 355 CD LYS A 22 1.744 -6.005 10.820 1.00 0.00 C ATOM 356 CE LYS A 22 2.417 -7.377 10.888 1.00 0.00 C ATOM 357 NZ LYS A 22 1.392 -8.444 10.701 1.00 0.00 N ATOM 0 H LYS A 22 0.225 -5.073 6.982 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.471 -5.490 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.972 -3.708 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.282 -4.074 10.383 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.554 -6.603 9.118 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.019 -5.741 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.459 -5.224 11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.935 -5.949 11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.184 -7.456 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.916 -7.502 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.743 -9.337 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.512 -8.169 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.205 -8.572 9.686 1.00 0.00 H new ATOM 371 N GLU A 23 -1.254 -2.392 8.138 1.00 0.00 N ATOM 372 CA GLU A 23 -1.958 -1.094 8.093 1.00 0.00 C ATOM 373 C GLU A 23 -3.376 -1.322 7.581 1.00 0.00 C ATOM 374 O GLU A 23 -4.351 -1.176 8.293 1.00 0.00 O ATOM 375 CB GLU A 23 -1.211 -0.189 7.115 1.00 0.00 C ATOM 376 CG GLU A 23 0.220 0.034 7.609 1.00 0.00 C ATOM 377 CD GLU A 23 1.113 0.414 6.427 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.629 0.371 5.307 1.00 0.00 O ATOM 379 OE2 GLU A 23 2.265 0.736 6.660 1.00 0.00 O ATOM 0 H GLU A 23 -0.360 -2.408 7.647 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.995 -0.638 9.082 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.197 -0.642 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.727 0.767 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.238 0.823 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.596 -0.870 8.087 1.00 0.00 H new ATOM 386 N LEU A 24 -3.477 -1.691 6.341 1.00 0.00 N ATOM 387 CA LEU A 24 -4.798 -1.956 5.718 1.00 0.00 C ATOM 388 C LEU A 24 -5.505 -3.088 6.464 1.00 0.00 C ATOM 389 O LEU A 24 -6.674 -3.344 6.255 1.00 0.00 O ATOM 390 CB LEU A 24 -4.566 -2.387 4.268 1.00 0.00 C ATOM 391 CG LEU A 24 -3.900 -1.249 3.494 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.807 -1.825 2.592 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.945 -0.534 2.636 1.00 0.00 C ATOM 0 H LEU A 24 -2.681 -1.823 5.718 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.415 -1.058 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.937 -3.277 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.514 -2.652 3.801 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.461 -0.539 4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.329 -1.017 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.063 -2.336 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.249 -2.533 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.470 0.277 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.385 -1.242 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.726 -0.127 3.278 1.00 0.00 H new ATOM 405 N ALA A 25 -4.805 -3.785 7.318 1.00 0.00 N ATOM 406 CA ALA A 25 -5.439 -4.909 8.048 1.00 0.00 C ATOM 407 C ALA A 25 -6.134 -5.810 7.033 1.00 0.00 C ATOM 408 O ALA A 25 -7.250 -6.247 7.226 1.00 0.00 O ATOM 409 CB ALA A 25 -6.448 -4.349 9.042 1.00 0.00 C ATOM 0 H ALA A 25 -3.823 -3.621 7.538 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.693 -5.487 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.919 -5.169 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.938 -3.694 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.210 -3.782 8.507 1.00 0.00 H new ATOM 415 N LEU A 26 -5.468 -6.081 5.945 1.00 0.00 N ATOM 416 CA LEU A 26 -6.061 -6.944 4.885 1.00 0.00 C ATOM 417 C LEU A 26 -6.342 -8.339 5.448 1.00 0.00 C ATOM 418 O LEU A 26 -5.768 -8.730 6.445 1.00 0.00 O ATOM 419 CB LEU A 26 -5.074 -7.051 3.721 1.00 0.00 C ATOM 420 CG LEU A 26 -4.657 -5.648 3.276 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.575 -5.753 2.206 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.871 -4.912 2.706 1.00 0.00 C ATOM 0 H LEU A 26 -4.529 -5.738 5.743 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.997 -6.506 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.198 -7.623 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.532 -7.587 2.890 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.267 -5.096 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.278 -4.753 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.710 -6.276 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.963 -6.305 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.574 -3.912 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.262 -5.463 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.643 -4.836 3.472 1.00 0.00 H new ATOM 434 N PRO A 27 -7.220 -9.050 4.786 1.00 0.00 N ATOM 435 CA PRO A 27 -7.596 -10.412 5.199 1.00 0.00 C ATOM 436 C PRO A 27 -6.363 -11.315 5.218 1.00 0.00 C ATOM 437 O PRO A 27 -5.254 -10.875 4.985 1.00 0.00 O ATOM 438 CB PRO A 27 -8.594 -10.884 4.133 1.00 0.00 C ATOM 439 CG PRO A 27 -8.825 -9.709 3.150 1.00 0.00 C ATOM 440 CD PRO A 27 -7.906 -8.556 3.577 1.00 0.00 C ATOM 0 HA PRO A 27 -8.025 -10.440 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.205 -11.754 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.534 -11.186 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.603 -10.016 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.868 -9.394 3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.193 -8.307 2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.477 -7.652 3.788 1.00 0.00 H new ATOM 448 N GLU A 28 -6.547 -12.575 5.491 1.00 0.00 N ATOM 449 CA GLU A 28 -5.389 -13.506 5.522 1.00 0.00 C ATOM 450 C GLU A 28 -5.032 -13.918 4.095 1.00 0.00 C ATOM 451 O GLU A 28 -3.948 -14.397 3.829 1.00 0.00 O ATOM 452 CB GLU A 28 -5.764 -14.749 6.326 1.00 0.00 C ATOM 453 CG GLU A 28 -6.101 -14.348 7.763 1.00 0.00 C ATOM 454 CD GLU A 28 -5.163 -15.073 8.730 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.043 -14.618 8.892 1.00 0.00 O ATOM 456 OE2 GLU A 28 -5.582 -16.072 9.292 1.00 0.00 O ATOM 0 H GLU A 28 -7.452 -13.000 5.694 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.535 -13.012 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.618 -15.247 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.939 -15.461 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.001 -13.269 7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.137 -14.599 7.988 1.00 0.00 H new ATOM 463 N TYR A 29 -5.938 -13.738 3.174 1.00 0.00 N ATOM 464 CA TYR A 29 -5.650 -14.124 1.766 1.00 0.00 C ATOM 465 C TYR A 29 -5.135 -12.909 0.993 1.00 0.00 C ATOM 466 O TYR A 29 -5.018 -12.941 -0.216 1.00 0.00 O ATOM 467 CB TYR A 29 -6.927 -14.650 1.104 1.00 0.00 C ATOM 468 CG TYR A 29 -8.083 -13.732 1.423 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.354 -12.635 0.598 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.887 -13.981 2.543 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.427 -11.785 0.891 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.960 -13.131 2.837 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.230 -12.033 2.011 1.00 0.00 C ATOM 474 OH TYR A 29 -11.288 -11.196 2.301 1.00 0.00 O ATOM 0 H TYR A 29 -6.863 -13.341 3.336 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.890 -14.906 1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.788 -14.714 0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.143 -15.658 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.735 -12.444 -0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.679 -14.828 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.635 -10.938 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.579 -13.322 3.701 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.742 -11.511 3.110 1.00 0.00 H new ATOM 484 N TYR A 30 -4.822 -11.837 1.675 1.00 0.00 N ATOM 485 CA TYR A 30 -4.311 -10.631 0.957 1.00 0.00 C ATOM 486 C TYR A 30 -3.279 -11.069 -0.083 1.00 0.00 C ATOM 487 O TYR A 30 -2.134 -11.325 0.235 1.00 0.00 O ATOM 488 CB TYR A 30 -3.650 -9.659 1.945 1.00 0.00 C ATOM 489 CG TYR A 30 -2.858 -8.621 1.173 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.320 -8.178 -0.072 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.662 -8.110 1.696 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.589 -7.227 -0.794 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.929 -7.154 0.972 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.395 -6.716 -0.273 1.00 0.00 C ATOM 495 OH TYR A 30 -0.677 -5.778 -0.986 1.00 0.00 O ATOM 0 H TYR A 30 -4.897 -11.745 2.688 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.146 -10.127 0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.409 -9.172 2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.993 -10.203 2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.242 -8.570 -0.476 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.304 -8.451 2.656 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.947 -6.887 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.009 -6.758 1.375 1.00 0.00 H new ATOM 0 HH TYR A 30 0.201 -6.146 -1.219 1.00 0.00 H new ATOM 505 N GLY A 31 -3.671 -11.156 -1.323 1.00 0.00 N ATOM 506 CA GLY A 31 -2.707 -11.576 -2.376 1.00 0.00 C ATOM 507 C GLY A 31 -1.479 -10.666 -2.333 1.00 0.00 C ATOM 508 O GLY A 31 -0.534 -10.921 -1.614 1.00 0.00 O ATOM 0 H GLY A 31 -4.615 -10.955 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.410 -12.613 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.178 -11.523 -3.358 1.00 0.00 H new ATOM 512 N GLU A 32 -1.496 -9.605 -3.098 1.00 0.00 N ATOM 513 CA GLU A 32 -0.341 -8.655 -3.123 1.00 0.00 C ATOM 514 C GLU A 32 -0.344 -7.904 -4.456 1.00 0.00 C ATOM 515 O GLU A 32 0.260 -6.859 -4.597 1.00 0.00 O ATOM 516 CB GLU A 32 0.979 -9.423 -2.991 1.00 0.00 C ATOM 517 CG GLU A 32 0.936 -10.673 -3.874 1.00 0.00 C ATOM 518 CD GLU A 32 1.359 -11.893 -3.055 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.038 -11.708 -2.059 1.00 0.00 O ATOM 520 OE2 GLU A 32 0.997 -12.994 -3.438 1.00 0.00 O ATOM 0 H GLU A 32 -2.269 -9.353 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.435 -7.957 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.813 -8.786 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.145 -9.705 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.070 -10.818 -4.268 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.599 -10.549 -4.730 1.00 0.00 H new ATOM 527 N ASN A 33 -1.017 -8.438 -5.438 1.00 0.00 N ATOM 528 CA ASN A 33 -1.059 -7.766 -6.773 1.00 0.00 C ATOM 529 C ASN A 33 -2.003 -6.564 -6.723 1.00 0.00 C ATOM 530 O ASN A 33 -2.870 -6.478 -5.885 1.00 0.00 O ATOM 531 CB ASN A 33 -1.545 -8.738 -7.863 1.00 0.00 C ATOM 532 CG ASN A 33 -2.284 -9.929 -7.247 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.586 -9.908 -7.170 1.00 0.00 O flip ATOM 534 ND2 ASN A 33 -1.668 -10.890 -6.831 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.541 -9.311 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.049 -7.437 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.205 -8.214 -8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.694 -9.094 -8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.650 -10.908 -6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.169 -11.679 -6.422 1.00 0.00 H new ATOM 541 N LEU A 34 -1.840 -5.641 -7.629 1.00 0.00 N ATOM 542 CA LEU A 34 -2.725 -4.440 -7.655 1.00 0.00 C ATOM 543 C LEU A 34 -4.181 -4.881 -7.651 1.00 0.00 C ATOM 544 O LEU A 34 -5.034 -4.270 -7.053 1.00 0.00 O ATOM 545 CB LEU A 34 -2.471 -3.676 -8.943 1.00 0.00 C ATOM 546 CG LEU A 34 -1.046 -3.120 -8.951 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.932 -2.047 -10.032 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.724 -2.507 -7.585 1.00 0.00 C ATOM 0 H LEU A 34 -1.127 -5.666 -8.358 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.518 -3.818 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.618 -4.333 -9.800 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.188 -2.861 -9.039 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.341 -3.926 -9.157 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.082 -1.647 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.159 -2.484 -11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.637 -1.243 -9.822 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.292 -2.112 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.426 -1.700 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.809 -3.272 -6.814 1.00 0.00 H new ATOM 560 N ASP A 35 -4.458 -5.930 -8.346 1.00 0.00 N ATOM 561 CA ASP A 35 -5.849 -6.444 -8.428 1.00 0.00 C ATOM 562 C ASP A 35 -6.358 -6.806 -7.035 1.00 0.00 C ATOM 563 O ASP A 35 -7.508 -6.593 -6.701 1.00 0.00 O ATOM 564 CB ASP A 35 -5.833 -7.709 -9.268 1.00 0.00 C ATOM 565 CG ASP A 35 -5.512 -7.360 -10.723 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.441 -7.077 -11.462 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.344 -7.382 -11.073 1.00 0.00 O ATOM 0 H ASP A 35 -3.771 -6.469 -8.874 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.495 -5.682 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.090 -8.406 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.800 -8.208 -9.209 1.00 0.00 H new ATOM 572 N ALA A 36 -5.509 -7.366 -6.225 1.00 0.00 N ATOM 573 CA ALA A 36 -5.940 -7.766 -4.855 1.00 0.00 C ATOM 574 C ALA A 36 -5.934 -6.546 -3.960 1.00 0.00 C ATOM 575 O ALA A 36 -6.953 -6.123 -3.453 1.00 0.00 O ATOM 576 CB ALA A 36 -4.970 -8.796 -4.289 1.00 0.00 C ATOM 0 H ALA A 36 -4.534 -7.565 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.941 -8.195 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.289 -9.085 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.956 -9.675 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.970 -8.366 -4.241 1.00 0.00 H new ATOM 582 N LEU A 37 -4.782 -5.975 -3.782 1.00 0.00 N ATOM 583 CA LEU A 37 -4.661 -4.756 -2.940 1.00 0.00 C ATOM 584 C LEU A 37 -5.851 -3.855 -3.245 1.00 0.00 C ATOM 585 O LEU A 37 -6.568 -3.397 -2.371 1.00 0.00 O ATOM 586 CB LEU A 37 -3.365 -4.038 -3.321 1.00 0.00 C ATOM 587 CG LEU A 37 -3.418 -2.586 -2.842 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.364 -2.548 -1.314 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.226 -1.815 -3.415 1.00 0.00 C ATOM 0 H LEU A 37 -3.906 -6.304 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.645 -5.007 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.511 -4.547 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.225 -4.069 -4.402 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.346 -2.126 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.402 -1.513 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.214 -3.095 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.438 -3.009 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.264 -0.780 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.298 -2.275 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.266 -1.839 -4.504 1.00 0.00 H new ATOM 601 N TRP A 38 -6.058 -3.620 -4.501 1.00 0.00 N ATOM 602 CA TRP A 38 -7.187 -2.782 -4.930 1.00 0.00 C ATOM 603 C TRP A 38 -8.463 -3.411 -4.427 1.00 0.00 C ATOM 604 O TRP A 38 -9.246 -2.799 -3.736 1.00 0.00 O ATOM 605 CB TRP A 38 -7.251 -2.737 -6.452 1.00 0.00 C ATOM 606 CG TRP A 38 -8.413 -1.897 -6.836 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.677 -2.337 -6.921 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.444 -0.487 -7.153 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.495 -1.281 -7.283 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.774 -0.114 -7.436 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.451 0.490 -7.222 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.103 1.198 -7.775 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.764 1.801 -7.556 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.092 2.166 -7.833 1.00 0.00 C ATOM 0 H TRP A 38 -5.479 -3.982 -5.259 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.061 -1.773 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.329 -2.323 -6.860 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.356 -3.743 -6.859 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.003 -3.350 -6.737 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.503 -1.356 -7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.425 0.223 -7.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.127 1.465 -7.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.982 2.544 -7.603 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.332 3.187 -8.089 1.00 0.00 H new ATOM 625 N ASP A 39 -8.664 -4.645 -4.768 1.00 0.00 N ATOM 626 CA ASP A 39 -9.886 -5.348 -4.311 1.00 0.00 C ATOM 627 C ASP A 39 -10.104 -5.020 -2.837 1.00 0.00 C ATOM 628 O ASP A 39 -11.212 -5.035 -2.337 1.00 0.00 O ATOM 629 CB ASP A 39 -9.703 -6.855 -4.480 1.00 0.00 C ATOM 630 CG ASP A 39 -10.297 -7.298 -5.818 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.990 -6.668 -6.817 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.049 -8.259 -5.821 1.00 0.00 O ATOM 0 H ASP A 39 -8.033 -5.200 -5.346 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.747 -5.029 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.644 -7.110 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.190 -7.385 -3.661 1.00 0.00 H new ATOM 637 N CYS A 40 -9.041 -4.723 -2.140 1.00 0.00 N ATOM 638 CA CYS A 40 -9.159 -4.389 -0.699 1.00 0.00 C ATOM 639 C CYS A 40 -9.600 -2.930 -0.520 1.00 0.00 C ATOM 640 O CYS A 40 -10.492 -2.636 0.250 1.00 0.00 O ATOM 641 CB CYS A 40 -7.799 -4.592 -0.035 1.00 0.00 C ATOM 642 SG CYS A 40 -7.028 -6.096 -0.682 1.00 0.00 S ATOM 0 H CYS A 40 -8.092 -4.698 -2.513 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.906 -5.037 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.158 -3.731 -0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.918 -4.668 1.046 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.117 -6.106 -1.979 1.00 0.00 H new ATOM 648 N LEU A 41 -8.972 -2.006 -1.201 1.00 0.00 N ATOM 649 CA LEU A 41 -9.344 -0.578 -1.035 1.00 0.00 C ATOM 650 C LEU A 41 -10.792 -0.325 -1.476 1.00 0.00 C ATOM 651 O LEU A 41 -11.524 0.404 -0.837 1.00 0.00 O ATOM 652 CB LEU A 41 -8.409 0.282 -1.883 1.00 0.00 C ATOM 653 CG LEU A 41 -6.952 -0.115 -1.629 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.048 0.694 -2.552 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.584 0.176 -0.172 1.00 0.00 C ATOM 0 H LEU A 41 -8.218 -2.184 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.255 -0.320 0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.648 0.160 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.554 1.335 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.824 -1.180 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.008 0.417 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.309 0.487 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.179 1.757 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.547 -0.108 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.708 1.240 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.235 -0.397 0.489 1.00 0.00 H new ATOM 667 N THR A 42 -11.199 -0.888 -2.578 1.00 0.00 N ATOM 668 CA THR A 42 -12.574 -0.650 -3.079 1.00 0.00 C ATOM 669 C THR A 42 -13.589 -1.548 -2.366 1.00 0.00 C ATOM 670 O THR A 42 -14.745 -1.594 -2.739 1.00 0.00 O ATOM 671 CB THR A 42 -12.616 -0.932 -4.583 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.110 -2.236 -4.833 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.761 0.101 -5.321 1.00 0.00 C ATOM 0 H THR A 42 -10.631 -1.508 -3.156 1.00 0.00 H new ATOM 0 HA THR A 42 -12.838 0.388 -2.879 1.00 0.00 H new ATOM 0 HB THR A 42 -13.645 -0.868 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.418 -2.191 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.791 -0.100 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.151 1.100 -5.128 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.731 0.039 -4.969 1.00 0.00 H new ATOM 681 N GLY A 43 -13.191 -2.262 -1.349 1.00 0.00 N ATOM 682 CA GLY A 43 -14.181 -3.136 -0.653 1.00 0.00 C ATOM 683 C GLY A 43 -13.543 -3.851 0.541 1.00 0.00 C ATOM 684 O GLY A 43 -13.560 -5.063 0.625 1.00 0.00 O ATOM 0 H GLY A 43 -12.242 -2.280 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.025 -2.535 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.576 -3.872 -1.353 1.00 0.00 H new ATOM 688 N TRP A 44 -12.994 -3.121 1.474 1.00 0.00 N ATOM 689 CA TRP A 44 -12.379 -3.780 2.656 1.00 0.00 C ATOM 690 C TRP A 44 -11.779 -2.725 3.587 1.00 0.00 C ATOM 691 O TRP A 44 -12.239 -2.524 4.693 1.00 0.00 O ATOM 692 CB TRP A 44 -11.282 -4.731 2.187 1.00 0.00 C ATOM 693 CG TRP A 44 -10.678 -5.408 3.371 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.577 -4.979 4.024 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.120 -6.615 4.057 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.309 -5.847 5.066 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.233 -6.872 5.129 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.191 -7.503 3.855 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.402 -7.971 5.971 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.365 -8.611 4.701 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.472 -8.844 5.757 1.00 0.00 C ATOM 0 H TRP A 44 -12.946 -2.102 1.467 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.143 -4.338 3.197 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.695 -5.471 1.502 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.517 -4.181 1.639 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.000 -4.101 3.773 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.525 -5.743 5.710 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.884 -7.332 3.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.711 -8.146 6.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.191 -9.287 4.537 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.611 -9.697 6.404 1.00 0.00 H new ATOM 712 N VAL A 45 -10.750 -2.055 3.150 1.00 0.00 N ATOM 713 CA VAL A 45 -10.113 -1.021 4.005 1.00 0.00 C ATOM 714 C VAL A 45 -11.145 0.044 4.385 1.00 0.00 C ATOM 715 O VAL A 45 -12.063 0.325 3.640 1.00 0.00 O ATOM 716 CB VAL A 45 -8.960 -0.368 3.239 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.182 0.556 4.177 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.024 -1.454 2.703 1.00 0.00 C ATOM 0 H VAL A 45 -10.322 -2.181 2.233 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.730 -1.488 4.912 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.360 0.212 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.361 1.021 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.847 1.330 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.782 -0.023 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.203 -0.990 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.625 -2.034 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.577 -2.113 2.034 1.00 0.00 H new ATOM 728 N GLU A 46 -11.003 0.641 5.539 1.00 0.00 N ATOM 729 CA GLU A 46 -11.979 1.688 5.958 1.00 0.00 C ATOM 730 C GLU A 46 -11.384 3.073 5.705 1.00 0.00 C ATOM 731 O GLU A 46 -10.268 3.361 6.090 1.00 0.00 O ATOM 732 CB GLU A 46 -12.298 1.536 7.444 1.00 0.00 C ATOM 733 CG GLU A 46 -11.009 1.655 8.260 1.00 0.00 C ATOM 734 CD GLU A 46 -11.343 1.601 9.752 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.411 2.065 10.117 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.526 1.098 10.504 1.00 0.00 O ATOM 0 H GLU A 46 -10.256 0.450 6.207 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.896 1.573 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.009 2.302 7.754 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.769 0.571 7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.325 0.847 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.501 2.590 8.024 1.00 0.00 H new ATOM 743 N TYR A 47 -12.126 3.929 5.060 1.00 0.00 N ATOM 744 CA TYR A 47 -11.623 5.302 4.764 1.00 0.00 C ATOM 745 C TYR A 47 -12.477 6.320 5.535 1.00 0.00 C ATOM 746 O TYR A 47 -13.499 5.954 6.080 1.00 0.00 O ATOM 747 CB TYR A 47 -11.728 5.534 3.250 1.00 0.00 C ATOM 748 CG TYR A 47 -10.739 4.641 2.523 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.716 3.990 3.227 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.846 4.462 1.140 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.811 3.169 2.552 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.940 3.634 0.470 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.924 2.989 1.176 1.00 0.00 C ATOM 754 OH TYR A 47 -8.033 2.173 0.513 1.00 0.00 O ATOM 0 H TYR A 47 -13.069 3.735 4.722 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.584 5.417 5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.742 5.322 2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.526 6.580 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.628 4.124 4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.628 4.963 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.022 2.673 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.027 3.493 -0.597 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.121 2.377 0.808 1.00 0.00 H new ATOM 764 N PRO A 48 -12.045 7.566 5.586 1.00 0.00 N ATOM 765 CA PRO A 48 -10.803 8.057 4.936 1.00 0.00 C ATOM 766 C PRO A 48 -9.558 7.341 5.468 1.00 0.00 C ATOM 767 O PRO A 48 -9.386 7.167 6.658 1.00 0.00 O ATOM 768 CB PRO A 48 -10.737 9.549 5.294 1.00 0.00 C ATOM 769 CG PRO A 48 -11.976 9.885 6.160 1.00 0.00 C ATOM 770 CD PRO A 48 -12.796 8.598 6.324 1.00 0.00 C ATOM 0 HA PRO A 48 -10.824 7.874 3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.819 9.771 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.726 10.158 4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.669 10.269 7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.575 10.662 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.904 8.331 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.802 8.717 5.921 1.00 0.00 H new ATOM 778 N LEU A 49 -8.684 6.934 4.585 1.00 0.00 N ATOM 779 CA LEU A 49 -7.441 6.236 5.020 1.00 0.00 C ATOM 780 C LEU A 49 -6.243 7.141 4.752 1.00 0.00 C ATOM 781 O LEU A 49 -6.271 7.990 3.886 1.00 0.00 O ATOM 782 CB LEU A 49 -7.281 4.931 4.214 1.00 0.00 C ATOM 783 CG LEU A 49 -5.799 4.530 4.085 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.285 3.982 5.418 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.651 3.459 3.002 1.00 0.00 C ATOM 0 H LEU A 49 -8.779 7.056 3.577 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.500 6.005 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.836 4.129 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.713 5.059 3.221 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.216 5.409 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.237 3.701 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.383 4.747 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.869 3.106 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.602 3.176 2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.241 2.584 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.004 3.854 2.049 1.00 0.00 H new ATOM 797 N VAL A 50 -5.174 6.924 5.456 1.00 0.00 N ATOM 798 CA VAL A 50 -3.951 7.724 5.208 1.00 0.00 C ATOM 799 C VAL A 50 -2.863 6.757 4.734 1.00 0.00 C ATOM 800 O VAL A 50 -2.723 5.672 5.252 1.00 0.00 O ATOM 801 CB VAL A 50 -3.523 8.454 6.506 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.112 8.036 6.949 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.521 9.962 6.258 1.00 0.00 C ATOM 0 H VAL A 50 -5.094 6.225 6.195 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.127 8.487 4.450 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.231 8.186 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.845 8.568 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.092 6.962 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.397 8.281 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.220 10.480 7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.820 10.198 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.522 10.285 5.970 1.00 0.00 H new ATOM 813 N LEU A 51 -2.079 7.142 3.779 1.00 0.00 N ATOM 814 CA LEU A 51 -0.993 6.241 3.329 1.00 0.00 C ATOM 815 C LEU A 51 0.316 6.992 3.496 1.00 0.00 C ATOM 816 O LEU A 51 0.832 7.576 2.566 1.00 0.00 O ATOM 817 CB LEU A 51 -1.174 5.825 1.864 1.00 0.00 C ATOM 818 CG LEU A 51 -0.039 4.869 1.476 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.155 3.584 2.289 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.135 4.507 -0.003 1.00 0.00 C ATOM 0 H LEU A 51 -2.140 8.036 3.291 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.005 5.328 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.140 5.339 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.164 6.703 1.219 1.00 0.00 H new ATOM 0 HG LEU A 51 0.912 5.363 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.652 2.905 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.085 3.818 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.115 3.109 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.677 3.828 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.091 4.021 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.059 5.413 -0.605 1.00 0.00 H new ATOM 832 N GLU A 52 0.849 6.987 4.683 1.00 0.00 N ATOM 833 CA GLU A 52 2.123 7.704 4.925 1.00 0.00 C ATOM 834 C GLU A 52 3.240 6.840 4.358 1.00 0.00 C ATOM 835 O GLU A 52 3.881 6.076 5.052 1.00 0.00 O ATOM 836 CB GLU A 52 2.306 7.911 6.430 1.00 0.00 C ATOM 837 CG GLU A 52 3.756 8.297 6.727 1.00 0.00 C ATOM 838 CD GLU A 52 3.878 8.744 8.185 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.961 9.392 8.663 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.885 8.431 8.798 1.00 0.00 O ATOM 0 H GLU A 52 0.454 6.515 5.497 1.00 0.00 H new ATOM 0 HA GLU A 52 2.130 8.683 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.632 8.692 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.046 6.998 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.415 7.449 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.073 9.100 6.062 1.00 0.00 H new ATOM 847 N TRP A 53 3.440 6.941 3.076 1.00 0.00 N ATOM 848 CA TRP A 53 4.470 6.120 2.402 1.00 0.00 C ATOM 849 C TRP A 53 5.854 6.740 2.596 1.00 0.00 C ATOM 850 O TRP A 53 6.115 7.850 2.178 1.00 0.00 O ATOM 851 CB TRP A 53 4.136 6.055 0.914 1.00 0.00 C ATOM 852 CG TRP A 53 4.839 4.895 0.304 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.158 4.637 0.443 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.295 3.833 -0.533 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.463 3.490 -0.260 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.352 2.959 -0.877 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.005 3.542 -1.026 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.147 1.845 -1.677 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.796 2.410 -1.839 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.867 1.566 -2.163 1.00 0.00 C ATOM 0 H TRP A 53 2.923 7.569 2.460 1.00 0.00 H new ATOM 0 HA TRP A 53 4.481 5.118 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.059 5.957 0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.438 6.979 0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.858 5.231 1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.397 3.085 -0.316 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.176 4.189 -0.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.974 1.195 -1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.807 2.192 -2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.703 0.701 -2.788 1.00 0.00 H new ATOM 871 N ARG A 54 6.743 6.022 3.220 1.00 0.00 N ATOM 872 CA ARG A 54 8.117 6.552 3.439 1.00 0.00 C ATOM 873 C ARG A 54 9.098 5.777 2.558 1.00 0.00 C ATOM 874 O ARG A 54 8.847 4.650 2.177 1.00 0.00 O ATOM 875 CB ARG A 54 8.506 6.375 4.908 1.00 0.00 C ATOM 876 CG ARG A 54 7.703 7.349 5.772 1.00 0.00 C ATOM 877 CD ARG A 54 8.662 8.278 6.519 1.00 0.00 C ATOM 878 NE ARG A 54 9.443 7.490 7.514 1.00 0.00 N ATOM 879 CZ ARG A 54 10.517 8.000 8.052 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.413 8.935 8.957 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.695 7.575 7.686 1.00 0.00 N ATOM 0 H ARG A 54 6.577 5.086 3.590 1.00 0.00 H new ATOM 0 HA ARG A 54 8.146 7.611 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.315 5.350 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.573 6.554 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.027 7.933 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.086 6.798 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.336 8.765 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.103 9.067 7.022 1.00 0.00 H new ATOM 0 HE ARG A 54 9.138 6.552 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.492 9.267 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.253 9.333 9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.777 6.844 6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.534 7.974 8.107 1.00 0.00 H new ATOM 895 N GLN A 55 10.213 6.366 2.231 1.00 0.00 N ATOM 896 CA GLN A 55 11.205 5.657 1.376 1.00 0.00 C ATOM 897 C GLN A 55 10.578 5.337 0.016 1.00 0.00 C ATOM 898 O GLN A 55 10.460 4.191 -0.370 1.00 0.00 O ATOM 899 CB GLN A 55 11.627 4.356 2.061 1.00 0.00 C ATOM 900 CG GLN A 55 12.688 3.650 1.213 1.00 0.00 C ATOM 901 CD GLN A 55 14.054 4.290 1.466 1.00 0.00 C ATOM 902 OE1 GLN A 55 14.336 5.363 0.970 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.921 3.673 2.221 1.00 0.00 N ATOM 0 H GLN A 55 10.481 7.307 2.518 1.00 0.00 H new ATOM 0 HA GLN A 55 12.078 6.294 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.023 4.568 3.054 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.762 3.706 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.720 2.589 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.431 3.722 0.156 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.685 2.772 2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.835 4.091 2.395 1.00 0.00 H new ATOM 912 N PHE A 56 10.180 6.341 -0.718 1.00 0.00 N ATOM 913 CA PHE A 56 9.569 6.091 -2.055 1.00 0.00 C ATOM 914 C PHE A 56 10.670 6.103 -3.117 1.00 0.00 C ATOM 915 O PHE A 56 11.637 6.829 -3.000 1.00 0.00 O ATOM 916 CB PHE A 56 8.550 7.185 -2.366 1.00 0.00 C ATOM 917 CG PHE A 56 7.516 6.650 -3.329 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.413 5.929 -2.850 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.663 6.874 -4.703 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.459 5.435 -3.748 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.709 6.379 -5.599 1.00 0.00 C ATOM 922 CZ PHE A 56 5.607 5.659 -5.122 1.00 0.00 C ATOM 0 H PHE A 56 10.251 7.323 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 56 9.068 5.123 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.068 7.520 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.051 8.052 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.299 5.755 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.513 7.429 -5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.608 4.881 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.823 6.552 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.871 5.276 -5.814 1.00 0.00 H new ATOM 932 N GLU A 57 10.531 5.295 -4.141 1.00 0.00 N ATOM 933 CA GLU A 57 11.571 5.233 -5.214 1.00 0.00 C ATOM 934 C GLU A 57 12.672 4.275 -4.766 1.00 0.00 C ATOM 935 O GLU A 57 13.020 3.340 -5.460 1.00 0.00 O ATOM 936 CB GLU A 57 12.170 6.617 -5.450 1.00 0.00 C ATOM 937 CG GLU A 57 12.699 6.711 -6.883 1.00 0.00 C ATOM 938 CD GLU A 57 14.118 7.283 -6.865 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.949 6.732 -6.162 1.00 0.00 O ATOM 940 OE2 GLU A 57 14.349 8.263 -7.555 1.00 0.00 O ATOM 0 H GLU A 57 9.735 4.672 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 57 11.118 4.885 -6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.415 7.385 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.977 6.800 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.698 5.725 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.047 7.346 -7.482 1.00 0.00 H new ATOM 947 N GLN A 58 13.205 4.489 -3.595 1.00 0.00 N ATOM 948 CA GLN A 58 14.253 3.587 -3.077 1.00 0.00 C ATOM 949 C GLN A 58 13.581 2.266 -2.718 1.00 0.00 C ATOM 950 O GLN A 58 14.209 1.228 -2.655 1.00 0.00 O ATOM 951 CB GLN A 58 14.900 4.202 -1.835 1.00 0.00 C ATOM 952 CG GLN A 58 15.611 5.501 -2.221 1.00 0.00 C ATOM 953 CD GLN A 58 16.673 5.207 -3.282 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.414 5.318 -4.464 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.867 4.835 -2.909 1.00 0.00 N ATOM 0 H GLN A 58 12.952 5.259 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 58 15.032 3.430 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.142 4.401 -1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.611 3.501 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.890 6.223 -2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.074 5.949 -1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.085 4.742 -1.917 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.582 4.638 -3.609 1.00 0.00 H new ATOM 964 N SER A 59 12.289 2.308 -2.510 1.00 0.00 N ATOM 965 CA SER A 59 11.531 1.071 -2.189 1.00 0.00 C ATOM 966 C SER A 59 10.964 0.505 -3.494 1.00 0.00 C ATOM 967 O SER A 59 10.337 -0.535 -3.516 1.00 0.00 O ATOM 968 CB SER A 59 10.388 1.401 -1.229 1.00 0.00 C ATOM 969 OG SER A 59 10.877 1.386 0.106 1.00 0.00 O ATOM 0 H SER A 59 11.726 3.157 -2.550 1.00 0.00 H new ATOM 0 HA SER A 59 12.186 0.340 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.971 2.380 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.582 0.676 -1.342 1.00 0.00 H new ATOM 0 HG SER A 59 10.640 0.536 0.532 1.00 0.00 H new ATOM 975 N LYS A 60 11.197 1.185 -4.588 1.00 0.00 N ATOM 976 CA LYS A 60 10.696 0.699 -5.902 1.00 0.00 C ATOM 977 C LYS A 60 11.775 -0.153 -6.585 1.00 0.00 C ATOM 978 O LYS A 60 11.484 -1.146 -7.222 1.00 0.00 O ATOM 979 CB LYS A 60 10.376 1.908 -6.789 1.00 0.00 C ATOM 980 CG LYS A 60 8.874 2.203 -6.757 1.00 0.00 C ATOM 981 CD LYS A 60 8.334 2.015 -5.335 1.00 0.00 C ATOM 982 CE LYS A 60 7.408 3.174 -4.971 1.00 0.00 C ATOM 983 NZ LYS A 60 7.213 3.197 -3.494 1.00 0.00 N ATOM 0 H LYS A 60 11.717 2.062 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 60 9.801 0.096 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.933 2.779 -6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.694 1.712 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.688 3.223 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.350 1.539 -7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.794 1.071 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.161 1.963 -4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.836 4.118 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.448 3.061 -5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.966 4.161 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.445 2.545 -3.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.092 2.901 -3.023 1.00 0.00 H new ATOM 997 N GLN A 61 13.018 0.241 -6.475 1.00 0.00 N ATOM 998 CA GLN A 61 14.114 -0.527 -7.135 1.00 0.00 C ATOM 999 C GLN A 61 14.332 -1.879 -6.441 1.00 0.00 C ATOM 1000 O GLN A 61 13.977 -2.914 -6.966 1.00 0.00 O ATOM 1001 CB GLN A 61 15.409 0.287 -7.071 1.00 0.00 C ATOM 1002 CG GLN A 61 15.424 1.313 -8.205 1.00 0.00 C ATOM 1003 CD GLN A 61 15.812 0.623 -9.514 1.00 0.00 C ATOM 1004 OE1 GLN A 61 14.972 0.064 -10.192 1.00 0.00 O ATOM 1005 NE2 GLN A 61 17.058 0.637 -9.901 1.00 0.00 N ATOM 0 H GLN A 61 13.321 1.064 -5.955 1.00 0.00 H new ATOM 0 HA GLN A 61 13.833 -0.711 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.486 0.792 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.271 -0.375 -7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.442 1.776 -8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.132 2.110 -7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.763 1.106 -9.333 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.327 0.179 -10.772 1.00 0.00 H new ATOM 1014 N LEU A 62 14.927 -1.848 -5.273 1.00 0.00 N ATOM 1015 CA LEU A 62 15.216 -3.091 -4.476 1.00 0.00 C ATOM 1016 C LEU A 62 14.340 -4.253 -4.935 1.00 0.00 C ATOM 1017 O LEU A 62 14.801 -5.171 -5.582 1.00 0.00 O ATOM 1018 CB LEU A 62 14.942 -2.840 -2.983 1.00 0.00 C ATOM 1019 CG LEU A 62 14.496 -1.392 -2.736 1.00 0.00 C ATOM 1020 CD1 LEU A 62 13.171 -1.116 -3.457 1.00 0.00 C ATOM 1021 CD2 LEU A 62 14.305 -1.175 -1.233 1.00 0.00 C ATOM 0 H LEU A 62 15.235 -0.987 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 62 16.265 -3.344 -4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.171 -3.526 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.842 -3.050 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 62 15.258 -0.714 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.865 -0.086 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.300 -1.272 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.405 -1.794 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.988 -0.148 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.544 -1.861 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.246 -1.361 -0.716 1.00 0.00 H new ATOM 1033 N THR A 63 13.081 -4.219 -4.600 1.00 0.00 N ATOM 1034 CA THR A 63 12.170 -5.318 -5.019 1.00 0.00 C ATOM 1035 C THR A 63 11.669 -5.041 -6.436 1.00 0.00 C ATOM 1036 O THR A 63 10.500 -4.807 -6.640 1.00 0.00 O ATOM 1037 CB THR A 63 10.980 -5.427 -4.050 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.866 -5.984 -4.735 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.606 -4.046 -3.503 1.00 0.00 C ATOM 0 H THR A 63 12.644 -3.477 -4.054 1.00 0.00 H new ATOM 0 HA THR A 63 12.714 -6.262 -5.002 1.00 0.00 H new ATOM 0 HB THR A 63 11.261 -6.069 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.536 -5.342 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.762 -4.142 -2.819 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.458 -3.622 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.331 -3.390 -4.329 1.00 0.00 H new ATOM 1047 N GLU A 64 12.577 -5.074 -7.395 1.00 0.00 N ATOM 1048 CA GLU A 64 12.252 -4.830 -8.844 1.00 0.00 C ATOM 1049 C GLU A 64 10.800 -4.396 -9.047 1.00 0.00 C ATOM 1050 O GLU A 64 10.544 -3.264 -9.404 1.00 0.00 O ATOM 1051 CB GLU A 64 12.505 -6.114 -9.634 1.00 0.00 C ATOM 1052 CG GLU A 64 12.840 -5.762 -11.086 1.00 0.00 C ATOM 1053 CD GLU A 64 13.250 -7.029 -11.839 1.00 0.00 C ATOM 1054 OE1 GLU A 64 14.105 -7.741 -11.339 1.00 0.00 O ATOM 1055 OE2 GLU A 64 12.702 -7.265 -12.903 1.00 0.00 O ATOM 0 H GLU A 64 13.564 -5.267 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 64 12.892 -4.021 -9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.326 -6.674 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.624 -6.755 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.977 -5.303 -11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.648 -5.031 -11.117 1.00 0.00 H new ATOM 1062 N ASN A 65 9.862 -5.296 -8.826 1.00 0.00 N ATOM 1063 CA ASN A 65 8.405 -4.974 -8.994 1.00 0.00 C ATOM 1064 C ASN A 65 8.176 -3.462 -8.936 1.00 0.00 C ATOM 1065 O ASN A 65 7.565 -2.886 -9.813 1.00 0.00 O ATOM 1066 CB ASN A 65 7.608 -5.651 -7.877 1.00 0.00 C ATOM 1067 CG ASN A 65 6.489 -6.496 -8.486 1.00 0.00 C ATOM 1068 OD1 ASN A 65 5.694 -6.004 -9.263 1.00 0.00 O ATOM 1069 ND2 ASN A 65 6.392 -7.757 -8.165 1.00 0.00 N ATOM 0 H ASN A 65 10.050 -6.254 -8.532 1.00 0.00 H new ATOM 0 HA ASN A 65 8.074 -5.340 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.266 -6.279 -7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.188 -4.899 -7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.649 -8.330 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.059 -8.170 -7.513 1.00 0.00 H new ATOM 1076 N GLY A 66 8.677 -2.808 -7.921 1.00 0.00 N ATOM 1077 CA GLY A 66 8.498 -1.335 -7.839 1.00 0.00 C ATOM 1078 C GLY A 66 7.148 -1.008 -7.207 1.00 0.00 C ATOM 1079 O GLY A 66 6.146 -0.858 -7.878 1.00 0.00 O ATOM 0 H GLY A 66 9.198 -3.229 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.302 -0.895 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.558 -0.897 -8.835 1.00 0.00 H new ATOM 1083 N ALA A 67 7.131 -0.883 -5.917 1.00 0.00 N ATOM 1084 CA ALA A 67 5.879 -0.548 -5.188 1.00 0.00 C ATOM 1085 C ALA A 67 5.067 0.501 -5.957 1.00 0.00 C ATOM 1086 O ALA A 67 3.864 0.585 -5.819 1.00 0.00 O ATOM 1087 CB ALA A 67 6.282 0.021 -3.839 1.00 0.00 C ATOM 0 H ALA A 67 7.950 -1.001 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 67 5.261 -1.439 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.388 0.280 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.859 -0.722 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.889 0.914 -3.987 1.00 0.00 H new ATOM 1093 N GLU A 68 5.726 1.309 -6.742 1.00 0.00 N ATOM 1094 CA GLU A 68 5.030 2.379 -7.521 1.00 0.00 C ATOM 1095 C GLU A 68 3.619 1.935 -7.924 1.00 0.00 C ATOM 1096 O GLU A 68 2.697 2.725 -7.948 1.00 0.00 O ATOM 1097 CB GLU A 68 5.839 2.677 -8.783 1.00 0.00 C ATOM 1098 CG GLU A 68 6.289 4.136 -8.764 1.00 0.00 C ATOM 1099 CD GLU A 68 6.754 4.547 -10.162 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.894 4.262 -10.494 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.963 5.139 -10.878 1.00 0.00 O ATOM 0 H GLU A 68 6.736 1.274 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 68 4.948 3.269 -6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.706 2.018 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.235 2.483 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.468 4.776 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.099 4.268 -8.047 1.00 0.00 H new ATOM 1108 N SER A 69 3.442 0.684 -8.246 1.00 0.00 N ATOM 1109 CA SER A 69 2.088 0.206 -8.651 1.00 0.00 C ATOM 1110 C SER A 69 1.136 0.269 -7.452 1.00 0.00 C ATOM 1111 O SER A 69 0.071 0.852 -7.519 1.00 0.00 O ATOM 1112 CB SER A 69 2.189 -1.236 -9.151 1.00 0.00 C ATOM 1113 OG SER A 69 2.733 -1.240 -10.465 1.00 0.00 O ATOM 0 H SER A 69 4.173 -0.027 -8.247 1.00 0.00 H new ATOM 0 HA SER A 69 1.702 0.843 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.819 -1.822 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.204 -1.703 -9.151 1.00 0.00 H new ATOM 0 HG SER A 69 2.801 -2.163 -10.788 1.00 0.00 H new ATOM 1119 N VAL A 70 1.515 -0.324 -6.353 1.00 0.00 N ATOM 1120 CA VAL A 70 0.649 -0.300 -5.147 1.00 0.00 C ATOM 1121 C VAL A 70 0.203 1.137 -4.902 1.00 0.00 C ATOM 1122 O VAL A 70 -0.934 1.406 -4.564 1.00 0.00 O ATOM 1123 CB VAL A 70 1.457 -0.809 -3.952 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.669 -0.602 -2.660 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.746 -2.301 -4.136 1.00 0.00 C ATOM 0 H VAL A 70 2.395 -0.827 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.226 -0.935 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 70 2.393 -0.255 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.253 -0.968 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.462 0.460 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.271 -1.150 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.322 -2.668 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.806 -2.849 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.317 -2.451 -5.053 1.00 0.00 H new ATOM 1135 N LEU A 71 1.095 2.065 -5.090 1.00 0.00 N ATOM 1136 CA LEU A 71 0.734 3.493 -4.889 1.00 0.00 C ATOM 1137 C LEU A 71 -0.278 3.899 -5.953 1.00 0.00 C ATOM 1138 O LEU A 71 -1.220 4.600 -5.682 1.00 0.00 O ATOM 1139 CB LEU A 71 1.974 4.359 -5.037 1.00 0.00 C ATOM 1140 CG LEU A 71 1.569 5.834 -5.010 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.137 6.221 -3.594 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.759 6.698 -5.432 1.00 0.00 C ATOM 0 H LEU A 71 2.060 1.896 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 71 0.312 3.626 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.677 4.148 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.483 4.127 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 71 0.740 5.994 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.849 7.272 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.289 5.607 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.965 6.060 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.471 7.749 -5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.588 6.537 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.067 6.425 -6.441 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.087 3.460 -7.164 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.048 3.818 -8.244 1.00 0.00 C ATOM 1156 C GLN A 72 -2.434 3.342 -7.837 1.00 0.00 C ATOM 1157 O GLN A 72 -3.436 3.933 -8.176 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.603 3.143 -9.561 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.673 2.175 -10.094 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.225 1.613 -11.443 1.00 0.00 C ATOM 1161 OE1 GLN A 72 0.022 1.277 -11.610 1.00 0.00 O flip ATOM 1162 NE2 GLN A 72 -2.019 1.480 -12.353 1.00 0.00 N flip ATOM 0 H GLN A 72 0.692 2.869 -7.454 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.072 4.897 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.398 3.907 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.328 2.601 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.830 1.363 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.626 2.693 -10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.995 1.744 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.709 1.105 -13.249 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.488 2.263 -7.132 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.785 1.717 -6.705 1.00 0.00 C ATOM 1173 C VAL A 73 -4.288 2.488 -5.490 1.00 0.00 C ATOM 1174 O VAL A 73 -5.474 2.655 -5.303 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.587 0.254 -6.359 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.820 -0.287 -5.637 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.321 -0.519 -7.655 1.00 0.00 C ATOM 0 H VAL A 73 -1.674 1.728 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.524 1.812 -7.501 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.736 0.136 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.667 -1.338 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.982 0.278 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.693 -0.188 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.176 -1.575 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.172 -0.407 -8.327 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.425 -0.126 -8.136 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.405 2.964 -4.662 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.871 3.732 -3.473 1.00 0.00 C ATOM 1189 C PHE A 74 -4.436 5.079 -3.945 1.00 0.00 C ATOM 1190 O PHE A 74 -5.460 5.545 -3.475 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.702 3.963 -2.509 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.742 2.925 -1.415 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.690 3.025 -0.391 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.831 1.862 -1.424 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.726 2.063 0.625 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.867 0.900 -0.409 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.815 1.002 0.616 1.00 0.00 C ATOM 0 H PHE A 74 -2.394 2.858 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.646 3.170 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.756 3.904 -3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.763 4.963 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.394 3.844 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.100 1.785 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.457 2.140 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.164 0.080 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.843 0.260 1.401 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.784 5.696 -4.892 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.266 6.994 -5.416 1.00 0.00 C ATOM 1209 C ARG A 75 -5.502 6.749 -6.265 1.00 0.00 C ATOM 1210 O ARG A 75 -6.527 7.358 -6.073 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.182 7.625 -6.286 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.849 7.616 -5.537 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.170 8.979 -5.682 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.053 9.319 -7.131 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.745 10.534 -7.503 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.014 11.551 -6.729 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -0.167 10.733 -8.656 1.00 0.00 N ATOM 0 H ARG A 75 -2.929 5.348 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.504 7.662 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.088 7.075 -7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.458 8.647 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.014 7.391 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.203 6.833 -5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.748 9.743 -5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.183 8.957 -5.221 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.214 8.599 -7.835 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.467 11.400 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.771 12.496 -7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.043 9.942 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.074 11.680 -8.949 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.401 5.845 -7.196 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.558 5.516 -8.072 1.00 0.00 C ATOM 1233 C GLU A 76 -7.776 5.257 -7.194 1.00 0.00 C ATOM 1234 O GLU A 76 -8.840 5.788 -7.421 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.224 4.255 -8.848 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.563 4.609 -10.181 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.633 4.730 -11.267 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.283 3.735 -11.543 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.784 5.814 -11.805 1.00 0.00 O ATOM 0 H GLU A 76 -4.553 5.312 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.766 6.336 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.557 3.624 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.132 3.679 -9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.016 5.547 -10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.838 3.842 -10.454 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.621 4.452 -6.176 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.761 4.189 -5.272 1.00 0.00 C ATOM 1248 C ALA A 77 -9.174 5.534 -4.692 1.00 0.00 C ATOM 1249 O ALA A 77 -10.341 5.851 -4.580 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.339 3.235 -4.150 1.00 0.00 C ATOM 0 H ALA A 77 -6.754 3.970 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.587 3.721 -5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.188 3.050 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.002 2.292 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.527 3.683 -3.578 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.205 6.349 -4.362 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.517 7.703 -3.838 1.00 0.00 C ATOM 1258 C LYS A 78 -9.403 8.410 -4.859 1.00 0.00 C ATOM 1259 O LYS A 78 -10.269 9.196 -4.529 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.215 8.487 -3.708 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.171 9.214 -2.363 1.00 0.00 C ATOM 1262 CD LYS A 78 -6.218 10.407 -2.461 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.026 11.705 -2.508 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.365 12.667 -3.435 1.00 0.00 N ATOM 0 H LYS A 78 -7.211 6.131 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.015 7.635 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.364 7.811 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.132 9.207 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.170 9.554 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.839 8.533 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.543 10.418 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.599 10.319 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.043 11.501 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.099 12.137 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.913 13.550 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.403 12.870 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.317 12.254 -4.388 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.164 8.127 -6.108 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.937 8.748 -7.204 1.00 0.00 C ATOM 1280 C ALA A 79 -11.307 8.085 -7.299 1.00 0.00 C ATOM 1281 O ALA A 79 -12.272 8.672 -7.746 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.173 8.515 -8.504 1.00 0.00 C ATOM 0 H ALA A 79 -8.445 7.473 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.070 9.814 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.720 8.963 -9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.186 8.971 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.066 7.444 -8.676 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.376 6.852 -6.901 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.646 6.094 -6.969 1.00 0.00 C ATOM 1290 C GLU A 80 -13.558 6.440 -5.786 1.00 0.00 C ATOM 1291 O GLU A 80 -14.205 5.578 -5.223 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.314 4.602 -6.948 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.068 4.128 -8.379 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.298 4.428 -9.238 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.359 4.624 -8.669 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.158 4.457 -10.449 1.00 0.00 O ATOM 0 H GLU A 80 -10.587 6.327 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.175 6.357 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.431 4.421 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.134 4.040 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.192 4.628 -8.793 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.858 3.058 -8.387 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.629 7.687 -5.405 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.512 8.068 -4.266 1.00 0.00 C ATOM 1305 C GLY A 81 -13.784 7.839 -2.940 1.00 0.00 C ATOM 1306 O GLY A 81 -13.864 8.642 -2.032 1.00 0.00 O ATOM 0 H GLY A 81 -13.115 8.457 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.802 9.115 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.429 7.479 -4.293 1.00 0.00 H new ATOM 1310 N CYS A 82 -13.077 6.749 -2.817 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.352 6.473 -1.551 1.00 0.00 C ATOM 1312 C CYS A 82 -11.450 7.661 -1.208 1.00 0.00 C ATOM 1313 O CYS A 82 -10.940 8.337 -2.080 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.504 5.218 -1.733 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.518 3.751 -1.420 1.00 0.00 S ATOM 0 H CYS A 82 -12.972 6.039 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.064 6.322 -0.740 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -11.099 5.184 -2.744 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.655 5.238 -1.050 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.122 3.175 -0.324 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.256 7.930 0.055 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.399 9.081 0.448 1.00 0.00 C ATOM 1323 C ASP A 83 -9.098 8.580 1.084 1.00 0.00 C ATOM 1324 O ASP A 83 -8.913 8.655 2.282 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.157 9.941 1.458 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.511 11.325 1.540 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.438 11.985 0.516 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -10.101 11.702 2.625 1.00 0.00 O ATOM 0 H ASP A 83 -11.655 7.401 0.831 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.156 9.668 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.202 10.033 1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.145 9.464 2.438 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.189 8.082 0.290 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.895 7.594 0.849 1.00 0.00 C ATOM 1335 C ILE A 84 -5.856 8.717 0.759 1.00 0.00 C ATOM 1336 O ILE A 84 -5.109 8.806 -0.195 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.402 6.397 0.039 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.276 5.187 0.330 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -4.957 6.078 0.422 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.878 4.693 -0.979 1.00 0.00 C ATOM 0 H ILE A 84 -8.286 7.992 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.039 7.297 1.888 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.454 6.638 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.686 4.398 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.066 5.452 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.607 5.223 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.326 6.942 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.906 5.841 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.508 3.825 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.480 5.485 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.078 4.415 -1.665 1.00 0.00 H new ATOM 1352 N THR A 85 -5.800 9.574 1.739 1.00 0.00 N ATOM 1353 CA THR A 85 -4.807 10.686 1.701 1.00 0.00 C ATOM 1354 C THR A 85 -3.416 10.116 1.409 1.00 0.00 C ATOM 1355 O THR A 85 -2.715 9.682 2.301 1.00 0.00 O ATOM 1356 CB THR A 85 -4.797 11.403 3.055 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.958 12.216 3.166 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.546 12.279 3.172 1.00 0.00 C ATOM 0 H THR A 85 -6.398 9.554 2.565 1.00 0.00 H new ATOM 0 HA THR A 85 -5.078 11.394 0.918 1.00 0.00 H new ATOM 0 HB THR A 85 -4.790 10.662 3.854 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.955 12.674 4.032 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.546 12.786 4.137 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.656 11.655 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.545 13.020 2.373 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.010 10.112 0.169 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.665 9.566 -0.173 1.00 0.00 C ATOM 1368 C ILE A 86 -0.579 10.511 0.342 1.00 0.00 C ATOM 1369 O ILE A 86 -0.362 11.577 -0.198 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.536 9.426 -1.690 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.761 8.692 -2.239 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.275 8.628 -2.023 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.761 7.252 -1.726 1.00 0.00 C ATOM 0 H ILE A 86 -3.550 10.463 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.548 8.588 0.294 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.470 10.416 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.673 9.201 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.746 8.702 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.183 8.528 -3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.599 9.148 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.341 7.638 -1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.633 6.727 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.854 6.747 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.796 7.254 -0.637 1.00 0.00 H new ATOM 1385 N ILE A 87 0.111 10.124 1.379 1.00 0.00 N ATOM 1386 CA ILE A 87 1.189 10.996 1.923 1.00 0.00 C ATOM 1387 C ILE A 87 2.547 10.455 1.467 1.00 0.00 C ATOM 1388 O ILE A 87 3.101 9.550 2.060 1.00 0.00 O ATOM 1389 CB ILE A 87 1.117 11.002 3.452 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.061 11.872 3.899 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.413 11.573 4.029 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.401 11.561 5.358 1.00 0.00 C ATOM 0 H ILE A 87 -0.025 9.242 1.873 1.00 0.00 H new ATOM 0 HA ILE A 87 1.063 12.015 1.557 1.00 0.00 H new ATOM 0 HB ILE A 87 0.981 9.982 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.191 12.927 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.927 11.684 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.357 11.575 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.255 10.958 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.552 12.593 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.240 12.180 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.670 10.509 5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.465 11.772 5.986 1.00 0.00 H new ATOM 1404 N LEU A 88 3.082 11.003 0.409 1.00 0.00 N ATOM 1405 CA LEU A 88 4.399 10.527 -0.100 1.00 0.00 C ATOM 1406 C LEU A 88 5.525 11.330 0.555 1.00 0.00 C ATOM 1407 O LEU A 88 5.579 12.540 0.450 1.00 0.00 O ATOM 1408 CB LEU A 88 4.447 10.717 -1.616 1.00 0.00 C ATOM 1409 CG LEU A 88 3.248 10.020 -2.282 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.678 9.502 -3.648 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.765 8.833 -1.437 1.00 0.00 C ATOM 0 H LEU A 88 2.661 11.763 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 88 4.526 9.472 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.437 11.780 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.378 10.310 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 88 2.434 10.739 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.836 9.005 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.010 10.337 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.497 8.793 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.917 8.357 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.574 8.110 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.461 9.187 -0.452 1.00 0.00 H new ATOM 1423 N SER A 89 6.423 10.669 1.232 1.00 0.00 N ATOM 1424 CA SER A 89 7.543 11.397 1.893 1.00 0.00 C ATOM 1425 C SER A 89 8.851 11.095 1.159 1.00 0.00 C ATOM 1426 O SER A 89 8.868 10.157 0.379 1.00 0.00 O ATOM 1427 CB SER A 89 7.658 10.941 3.348 1.00 0.00 C ATOM 1428 OG SER A 89 7.660 12.080 4.198 1.00 0.00 O ATOM 1429 OXT SER A 89 9.815 11.808 1.390 1.00 0.00 O ATOM 0 H SER A 89 6.430 9.657 1.356 1.00 0.00 H new ATOM 0 HA SER A 89 7.348 12.469 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.826 10.285 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.573 10.366 3.490 1.00 0.00 H new ATOM 0 HG SER A 89 7.732 11.791 5.132 1.00 0.00 H new TER 1435 SER A 89