USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 700 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 42 ASN : amide:sc= -0.816 K(o=-0.82,f=-1.8!) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 THR OG1 : rot 101:sc= 0.79 USER MOD Set 2.2: A 17 SER OG : rot -82:sc= 0.00494 USER MOD Single : A 1 VAL N :NH3+ -176:sc= -0.782 (180deg=-0.918) USER MOD Single : A 2 SER OG : rot 180:sc= -0.151 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.31! USER MOD Single : A 21 SER OG : rot 120:sc= -4.51! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -5:sc= 0.735! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 60 SER OG : rot 145:sc= 0.946 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 150:sc= -0.12 USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.32 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.823 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 84 SER OG : rot 53:sc= 0.538 USER MOD Single : A 85 SER OG : rot 151:sc= 1.26 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= -1.08 USER MOD Single : A 91 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.51) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.553 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.024 20.472 -8.964 1.00 0.00 N ATOM 2 CA VAL A 1 4.806 19.989 -10.130 1.00 0.00 C ATOM 3 C VAL A 1 5.132 18.512 -9.962 1.00 0.00 C ATOM 4 O VAL A 1 5.260 18.027 -8.857 1.00 0.00 O ATOM 5 CB VAL A 1 6.123 20.771 -10.236 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.385 21.127 -11.703 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.009 22.057 -9.418 1.00 0.00 C ATOM 0 H1 VAL A 1 3.747 21.463 -9.118 1.00 0.00 H new ATOM 0 H2 VAL A 1 3.171 19.888 -8.852 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.605 20.404 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 1 4.211 20.137 -11.031 1.00 0.00 H new ATOM 0 HB VAL A 1 6.943 20.163 -9.855 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.320 21.682 -11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.456 20.213 -12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.566 21.740 -12.081 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.941 22.617 -9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.191 22.664 -9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.814 21.809 -8.375 1.00 0.00 H new ATOM 19 N SER A 2 5.267 17.822 -11.065 1.00 0.00 N ATOM 20 CA SER A 2 5.586 16.371 -10.988 1.00 0.00 C ATOM 21 C SER A 2 4.533 15.629 -10.171 1.00 0.00 C ATOM 22 O SER A 2 4.419 15.832 -8.978 1.00 0.00 O ATOM 23 CB SER A 2 6.950 16.207 -10.296 1.00 0.00 C ATOM 24 OG SER A 2 7.673 17.372 -10.664 1.00 0.00 O ATOM 0 H SER A 2 5.170 18.200 -12.008 1.00 0.00 H new ATOM 0 HA SER A 2 5.605 15.958 -11.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.841 16.132 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.458 15.302 -10.628 1.00 0.00 H new ATOM 0 HG SER A 2 8.564 17.346 -10.257 1.00 0.00 H new ATOM 30 N ASP A 3 3.786 14.774 -10.834 1.00 0.00 N ATOM 31 CA ASP A 3 2.727 14.002 -10.120 1.00 0.00 C ATOM 32 C ASP A 3 2.938 12.504 -10.293 1.00 0.00 C ATOM 33 O ASP A 3 2.317 11.706 -9.621 1.00 0.00 O ATOM 34 CB ASP A 3 1.365 14.386 -10.716 1.00 0.00 C ATOM 35 CG ASP A 3 0.818 15.606 -9.971 1.00 0.00 C ATOM 36 OD1 ASP A 3 1.554 16.579 -9.910 1.00 0.00 O ATOM 37 OD2 ASP A 3 -0.304 15.498 -9.504 1.00 0.00 O ATOM 0 H ASP A 3 3.866 14.581 -11.832 1.00 0.00 H new ATOM 0 HA ASP A 3 2.769 14.237 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.469 14.609 -11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.669 13.551 -10.632 1.00 0.00 H new ATOM 42 N VAL A 4 3.812 12.150 -11.194 1.00 0.00 N ATOM 43 CA VAL A 4 4.076 10.704 -11.424 1.00 0.00 C ATOM 44 C VAL A 4 4.668 10.061 -10.133 1.00 0.00 C ATOM 45 O VAL A 4 5.526 10.651 -9.505 1.00 0.00 O ATOM 46 CB VAL A 4 5.127 10.572 -12.562 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.535 9.758 -13.720 1.00 0.00 C ATOM 48 CG2 VAL A 4 5.510 11.963 -13.080 1.00 0.00 C ATOM 0 H VAL A 4 4.350 12.793 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 4 3.146 10.201 -11.689 1.00 0.00 H new ATOM 0 HB VAL A 4 6.011 10.069 -12.169 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.274 9.667 -14.516 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.261 8.765 -13.364 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.648 10.263 -14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.247 11.864 -13.877 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.623 12.465 -13.466 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.933 12.551 -12.265 1.00 0.00 H new ATOM 58 N PRO A 5 4.201 8.857 -9.743 1.00 0.00 N ATOM 59 CA PRO A 5 4.724 8.208 -8.536 1.00 0.00 C ATOM 60 C PRO A 5 6.229 7.965 -8.641 1.00 0.00 C ATOM 61 O PRO A 5 6.823 8.178 -9.680 1.00 0.00 O ATOM 62 CB PRO A 5 3.992 6.850 -8.457 1.00 0.00 C ATOM 63 CG PRO A 5 3.052 6.754 -9.696 1.00 0.00 C ATOM 64 CD PRO A 5 3.155 8.089 -10.451 1.00 0.00 C ATOM 0 HA PRO A 5 4.562 8.831 -7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.708 6.028 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.418 6.777 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.347 5.925 -10.339 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.024 6.566 -9.385 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.422 7.931 -11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.203 8.620 -10.443 1.00 0.00 H new ATOM 72 N ARG A 6 6.815 7.522 -7.562 1.00 0.00 N ATOM 73 CA ARG A 6 8.275 7.259 -7.579 1.00 0.00 C ATOM 74 C ARG A 6 8.661 6.285 -6.467 1.00 0.00 C ATOM 75 O ARG A 6 7.870 5.994 -5.593 1.00 0.00 O ATOM 76 CB ARG A 6 9.017 8.595 -7.361 1.00 0.00 C ATOM 77 CG ARG A 6 8.579 9.206 -6.026 1.00 0.00 C ATOM 78 CD ARG A 6 9.010 10.676 -5.967 1.00 0.00 C ATOM 79 NE ARG A 6 10.422 10.798 -6.430 1.00 0.00 N ATOM 80 CZ ARG A 6 10.984 11.978 -6.452 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.587 12.847 -7.342 1.00 0.00 N ATOM 82 NH2 ARG A 6 11.918 12.251 -5.581 1.00 0.00 N ATOM 0 H ARG A 6 6.346 7.333 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 6 8.548 6.818 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.094 8.430 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 6 8.799 9.283 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.497 9.129 -5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.023 8.653 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.357 11.283 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.916 11.053 -4.949 1.00 0.00 H new ATOM 0 HE ARG A 6 10.942 9.972 -6.726 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.851 12.600 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.013 13.773 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.199 11.548 -4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.367 13.167 -5.585 1.00 0.00 H new ATOM 96 N ASP A 7 9.871 5.793 -6.533 1.00 0.00 N ATOM 97 CA ASP A 7 10.341 4.835 -5.493 1.00 0.00 C ATOM 98 C ASP A 7 9.379 3.655 -5.338 1.00 0.00 C ATOM 99 O ASP A 7 8.832 3.436 -4.274 1.00 0.00 O ATOM 100 CB ASP A 7 10.433 5.576 -4.148 1.00 0.00 C ATOM 101 CG ASP A 7 11.470 6.697 -4.257 1.00 0.00 C ATOM 102 OD1 ASP A 7 12.630 6.349 -4.400 1.00 0.00 O ATOM 103 OD2 ASP A 7 11.042 7.838 -4.191 1.00 0.00 O ATOM 0 H ASP A 7 10.551 6.013 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 7 11.313 4.447 -5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.461 5.989 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 7 10.713 4.882 -3.356 1.00 0.00 H new ATOM 108 N LEU A 8 9.190 2.917 -6.405 1.00 0.00 N ATOM 109 CA LEU A 8 8.269 1.744 -6.340 1.00 0.00 C ATOM 110 C LEU A 8 9.069 0.455 -6.184 1.00 0.00 C ATOM 111 O LEU A 8 10.055 0.257 -6.866 1.00 0.00 O ATOM 112 CB LEU A 8 7.477 1.669 -7.656 1.00 0.00 C ATOM 113 CG LEU A 8 6.585 2.904 -7.781 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.890 3.605 -9.105 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.117 2.471 -7.766 1.00 0.00 C ATOM 0 H LEU A 8 9.631 3.076 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 8 7.599 1.860 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.161 1.613 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.870 0.764 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 8 6.774 3.583 -6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.258 4.488 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.938 3.905 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.692 2.923 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.478 3.349 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.928 1.798 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.899 1.957 -6.830 1.00 0.00 H new ATOM 127 N GLU A 9 8.637 -0.406 -5.297 1.00 0.00 N ATOM 128 CA GLU A 9 9.386 -1.675 -5.110 1.00 0.00 C ATOM 129 C GLU A 9 8.727 -2.579 -4.074 1.00 0.00 C ATOM 130 O GLU A 9 7.735 -2.222 -3.458 1.00 0.00 O ATOM 131 CB GLU A 9 10.799 -1.324 -4.613 1.00 0.00 C ATOM 132 CG GLU A 9 10.703 -0.162 -3.618 1.00 0.00 C ATOM 133 CD GLU A 9 11.752 -0.345 -2.518 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.847 -0.749 -2.874 1.00 0.00 O ATOM 135 OE2 GLU A 9 11.398 -0.070 -1.382 1.00 0.00 O ATOM 0 H GLU A 9 7.814 -0.285 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 9 9.406 -2.206 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.257 -2.191 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.436 -1.049 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.862 0.786 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.705 -0.125 -3.181 1.00 0.00 H new ATOM 142 N VAL A 10 9.301 -3.745 -3.905 1.00 0.00 N ATOM 143 CA VAL A 10 8.754 -4.712 -2.922 1.00 0.00 C ATOM 144 C VAL A 10 9.554 -4.645 -1.625 1.00 0.00 C ATOM 145 O VAL A 10 10.728 -4.954 -1.606 1.00 0.00 O ATOM 146 CB VAL A 10 8.890 -6.126 -3.508 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.467 -7.147 -2.452 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.982 -6.257 -4.732 1.00 0.00 C ATOM 0 H VAL A 10 10.128 -4.063 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 10 7.711 -4.473 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 10 9.924 -6.306 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.561 -8.153 -2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.107 -7.050 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.431 -6.967 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.077 -7.259 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.947 -6.083 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.274 -5.522 -5.482 1.00 0.00 H new ATOM 158 N VAL A 11 8.912 -4.246 -0.564 1.00 0.00 N ATOM 159 CA VAL A 11 9.638 -4.160 0.729 1.00 0.00 C ATOM 160 C VAL A 11 9.949 -5.548 1.267 1.00 0.00 C ATOM 161 O VAL A 11 10.891 -5.731 2.015 1.00 0.00 O ATOM 162 CB VAL A 11 8.747 -3.403 1.734 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.181 -3.740 3.160 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.902 -1.894 1.507 1.00 0.00 C ATOM 0 H VAL A 11 7.928 -3.979 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 11 10.582 -3.635 0.581 1.00 0.00 H new ATOM 0 HB VAL A 11 7.707 -3.697 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.550 -3.204 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.083 -4.813 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.220 -3.444 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.274 -1.353 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.944 -1.609 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.599 -1.646 0.490 1.00 0.00 H new ATOM 174 N ALA A 12 9.155 -6.497 0.870 1.00 0.00 N ATOM 175 CA ALA A 12 9.374 -7.892 1.339 1.00 0.00 C ATOM 176 C ALA A 12 8.138 -8.745 1.092 1.00 0.00 C ATOM 177 O ALA A 12 7.085 -8.234 0.767 1.00 0.00 O ATOM 178 CB ALA A 12 9.656 -7.873 2.852 1.00 0.00 C ATOM 0 H ALA A 12 8.363 -6.369 0.241 1.00 0.00 H new ATOM 0 HA ALA A 12 10.216 -8.314 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.818 -8.892 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.546 -7.275 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.804 -7.439 3.375 1.00 0.00 H new ATOM 184 N ALA A 13 8.299 -10.035 1.251 1.00 0.00 N ATOM 185 CA ALA A 13 7.157 -10.963 1.035 1.00 0.00 C ATOM 186 C ALA A 13 7.006 -11.895 2.228 1.00 0.00 C ATOM 187 O ALA A 13 7.943 -12.107 2.971 1.00 0.00 O ATOM 188 CB ALA A 13 7.452 -11.805 -0.213 1.00 0.00 C ATOM 0 H ALA A 13 9.175 -10.482 1.522 1.00 0.00 H new ATOM 0 HA ALA A 13 6.238 -10.389 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.626 -12.494 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.569 -11.149 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.371 -12.371 -0.061 1.00 0.00 H new ATOM 194 N THR A 14 5.832 -12.440 2.397 1.00 0.00 N ATOM 195 CA THR A 14 5.624 -13.357 3.542 1.00 0.00 C ATOM 196 C THR A 14 4.551 -14.408 3.211 1.00 0.00 C ATOM 197 O THR A 14 3.776 -14.231 2.292 1.00 0.00 O ATOM 198 CB THR A 14 5.157 -12.513 4.738 1.00 0.00 C ATOM 199 OG1 THR A 14 4.808 -11.260 4.187 1.00 0.00 O ATOM 200 CG2 THR A 14 6.329 -12.196 5.686 1.00 0.00 C ATOM 0 H THR A 14 5.020 -12.290 1.798 1.00 0.00 H new ATOM 0 HA THR A 14 6.553 -13.880 3.768 1.00 0.00 H new ATOM 0 HB THR A 14 4.366 -13.039 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.835 -11.206 4.087 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.969 -11.598 6.523 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.755 -13.126 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.094 -11.639 5.145 1.00 0.00 H new ATOM 208 N PRO A 15 4.523 -15.499 3.977 1.00 0.00 N ATOM 209 CA PRO A 15 3.548 -16.558 3.748 1.00 0.00 C ATOM 210 C PRO A 15 2.119 -16.024 3.749 1.00 0.00 C ATOM 211 O PRO A 15 1.578 -15.693 4.785 1.00 0.00 O ATOM 212 CB PRO A 15 3.736 -17.538 4.928 1.00 0.00 C ATOM 213 CG PRO A 15 4.919 -17.006 5.790 1.00 0.00 C ATOM 214 CD PRO A 15 5.442 -15.733 5.108 1.00 0.00 C ATOM 0 HA PRO A 15 3.702 -17.025 2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.825 -17.601 5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.949 -18.543 4.563 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.588 -16.790 6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.708 -17.754 5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.443 -14.888 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.468 -15.863 4.762 1.00 0.00 H new ATOM 222 N THR A 16 1.537 -15.948 2.579 1.00 0.00 N ATOM 223 CA THR A 16 0.141 -15.441 2.473 1.00 0.00 C ATOM 224 C THR A 16 0.071 -13.926 2.654 1.00 0.00 C ATOM 225 O THR A 16 -0.883 -13.416 3.205 1.00 0.00 O ATOM 226 CB THR A 16 -0.709 -16.107 3.567 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.110 -17.368 3.799 1.00 0.00 O ATOM 228 CG2 THR A 16 -2.112 -16.443 3.041 1.00 0.00 C ATOM 0 H THR A 16 1.970 -16.216 1.695 1.00 0.00 H new ATOM 0 HA THR A 16 -0.233 -15.682 1.478 1.00 0.00 H new ATOM 0 HB THR A 16 -0.770 -15.449 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.610 -17.845 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.695 -16.913 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.609 -15.528 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.030 -17.127 2.196 1.00 0.00 H new ATOM 236 N SER A 17 1.083 -13.230 2.198 1.00 0.00 N ATOM 237 CA SER A 17 1.066 -11.747 2.346 1.00 0.00 C ATOM 238 C SER A 17 2.226 -11.103 1.589 1.00 0.00 C ATOM 239 O SER A 17 3.329 -11.610 1.597 1.00 0.00 O ATOM 240 CB SER A 17 1.207 -11.408 3.837 1.00 0.00 C ATOM 241 OG SER A 17 2.499 -11.882 4.177 1.00 0.00 O ATOM 0 H SER A 17 1.906 -13.619 1.738 1.00 0.00 H new ATOM 0 HA SER A 17 0.130 -11.365 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.116 -10.336 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.434 -11.895 4.432 1.00 0.00 H new ATOM 0 HG SER A 17 2.458 -12.845 4.355 1.00 0.00 H new ATOM 247 N LEU A 18 1.944 -9.996 0.932 1.00 0.00 N ATOM 248 CA LEU A 18 3.012 -9.293 0.164 1.00 0.00 C ATOM 249 C LEU A 18 3.009 -7.812 0.510 1.00 0.00 C ATOM 250 O LEU A 18 2.011 -7.137 0.339 1.00 0.00 O ATOM 251 CB LEU A 18 2.730 -9.462 -1.341 1.00 0.00 C ATOM 252 CG LEU A 18 3.895 -8.866 -2.151 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.186 -9.637 -1.846 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.586 -8.988 -3.644 1.00 0.00 C ATOM 0 H LEU A 18 1.024 -9.557 0.899 1.00 0.00 H new ATOM 0 HA LEU A 18 3.984 -9.717 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.608 -10.518 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.797 -8.964 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 18 4.022 -7.818 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.008 -9.212 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.411 -9.563 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.057 -10.685 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.409 -8.567 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.460 -10.039 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.668 -8.445 -3.871 1.00 0.00 H new ATOM 266 N LEU A 19 4.125 -7.327 0.982 1.00 0.00 N ATOM 267 CA LEU A 19 4.198 -5.890 1.344 1.00 0.00 C ATOM 268 C LEU A 19 4.806 -5.047 0.230 1.00 0.00 C ATOM 269 O LEU A 19 5.976 -5.176 -0.087 1.00 0.00 O ATOM 270 CB LEU A 19 5.080 -5.759 2.593 1.00 0.00 C ATOM 271 CG LEU A 19 4.287 -5.054 3.694 1.00 0.00 C ATOM 272 CD1 LEU A 19 5.130 -5.007 4.967 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.967 -3.624 3.248 1.00 0.00 C ATOM 0 H LEU A 19 4.981 -7.861 1.130 1.00 0.00 H new ATOM 0 HA LEU A 19 3.185 -5.529 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.400 -6.744 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.982 -5.194 2.359 1.00 0.00 H new ATOM 0 HG LEU A 19 3.360 -5.595 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.570 -4.505 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.370 -6.022 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.052 -4.460 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.401 -3.117 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.896 -3.084 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.376 -3.652 2.333 1.00 0.00 H new ATOM 285 N ILE A 20 3.992 -4.189 -0.337 1.00 0.00 N ATOM 286 CA ILE A 20 4.482 -3.314 -1.434 1.00 0.00 C ATOM 287 C ILE A 20 4.669 -1.896 -0.910 1.00 0.00 C ATOM 288 O ILE A 20 4.210 -1.574 0.167 1.00 0.00 O ATOM 289 CB ILE A 20 3.439 -3.300 -2.562 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.056 -2.953 -2.018 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.375 -4.703 -3.187 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.237 -2.311 -3.145 1.00 0.00 C ATOM 0 H ILE A 20 3.012 -4.061 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 20 5.434 -3.691 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 20 3.729 -2.551 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.557 -3.850 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.142 -2.268 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.638 -4.710 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.353 -4.967 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.088 -5.428 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.244 -2.056 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.739 -1.407 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.145 -3.013 -3.974 1.00 0.00 H new ATOM 304 N SER A 21 5.333 -1.068 -1.667 1.00 0.00 N ATOM 305 CA SER A 21 5.533 0.320 -1.185 1.00 0.00 C ATOM 306 C SER A 21 5.885 1.268 -2.322 1.00 0.00 C ATOM 307 O SER A 21 6.716 0.964 -3.156 1.00 0.00 O ATOM 308 CB SER A 21 6.690 0.305 -0.178 1.00 0.00 C ATOM 309 OG SER A 21 7.512 -0.760 -0.624 1.00 0.00 O ATOM 0 H SER A 21 5.736 -1.288 -2.578 1.00 0.00 H new ATOM 0 HA SER A 21 4.606 0.672 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.229 1.252 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.334 0.137 0.838 1.00 0.00 H new ATOM 0 HG SER A 21 8.403 -0.416 -0.843 1.00 0.00 H new ATOM 315 N TRP A 22 5.232 2.407 -2.334 1.00 0.00 N ATOM 316 CA TRP A 22 5.504 3.398 -3.398 1.00 0.00 C ATOM 317 C TRP A 22 5.530 4.808 -2.807 1.00 0.00 C ATOM 318 O TRP A 22 6.016 4.991 -1.708 1.00 0.00 O ATOM 319 CB TRP A 22 4.427 3.258 -4.517 1.00 0.00 C ATOM 320 CG TRP A 22 3.100 3.941 -4.150 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.687 5.079 -4.689 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.185 3.440 -3.344 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.461 5.251 -4.173 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.065 4.254 -3.303 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.199 2.270 -2.602 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.023 3.905 -2.527 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.108 1.926 -1.828 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.000 2.742 -1.792 1.00 0.00 C ATOM 0 H TRP A 22 4.527 2.683 -1.651 1.00 0.00 H new ATOM 0 HA TRP A 22 6.483 3.213 -3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.810 3.691 -5.441 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.246 2.201 -4.711 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.214 5.718 -5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.871 6.050 -4.404 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.065 1.625 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.892 4.545 -2.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.124 1.014 -1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.852 2.469 -1.187 1.00 0.00 H new ATOM 339 N ASP A 23 5.022 5.779 -3.522 1.00 0.00 N ATOM 340 CA ASP A 23 5.042 7.173 -2.961 1.00 0.00 C ATOM 341 C ASP A 23 3.766 7.957 -3.262 1.00 0.00 C ATOM 342 O ASP A 23 3.028 7.641 -4.171 1.00 0.00 O ATOM 343 CB ASP A 23 6.226 7.913 -3.597 1.00 0.00 C ATOM 344 CG ASP A 23 6.061 9.424 -3.395 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.207 9.836 -2.255 1.00 0.00 O ATOM 346 OD2 ASP A 23 5.801 10.080 -4.391 1.00 0.00 O ATOM 0 H ASP A 23 4.603 5.678 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 23 5.127 7.098 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.161 7.577 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.282 7.683 -4.661 1.00 0.00 H new ATOM 351 N ALA A 24 3.542 8.978 -2.471 1.00 0.00 N ATOM 352 CA ALA A 24 2.336 9.819 -2.662 1.00 0.00 C ATOM 353 C ALA A 24 2.651 11.299 -2.272 1.00 0.00 C ATOM 354 O ALA A 24 2.940 11.566 -1.123 1.00 0.00 O ATOM 355 CB ALA A 24 1.240 9.293 -1.713 1.00 0.00 C ATOM 0 H ALA A 24 4.149 9.260 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 24 2.017 9.778 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.338 9.893 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.018 8.253 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.588 9.360 -0.682 1.00 0.00 H new ATOM 361 N PRO A 25 2.602 12.253 -3.232 1.00 0.00 N ATOM 362 CA PRO A 25 2.894 13.653 -2.903 1.00 0.00 C ATOM 363 C PRO A 25 1.877 14.228 -1.908 1.00 0.00 C ATOM 364 O PRO A 25 1.079 13.501 -1.351 1.00 0.00 O ATOM 365 CB PRO A 25 2.805 14.408 -4.240 1.00 0.00 C ATOM 366 CG PRO A 25 2.394 13.377 -5.336 1.00 0.00 C ATOM 367 CD PRO A 25 2.277 12.004 -4.653 1.00 0.00 C ATOM 0 HA PRO A 25 3.871 13.747 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.073 15.213 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.763 14.867 -4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.446 13.660 -5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.137 13.347 -6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.273 11.594 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.966 11.284 -5.095 1.00 0.00 H new ATOM 375 N ALA A 26 1.927 15.532 -1.710 1.00 0.00 N ATOM 376 CA ALA A 26 0.974 16.177 -0.753 1.00 0.00 C ATOM 377 C ALA A 26 -0.139 16.977 -1.455 1.00 0.00 C ATOM 378 O ALA A 26 -0.921 17.637 -0.800 1.00 0.00 O ATOM 379 CB ALA A 26 1.780 17.144 0.131 1.00 0.00 C ATOM 0 H ALA A 26 2.581 16.167 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 26 0.491 15.386 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.111 17.631 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.544 16.589 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.256 17.898 -0.495 1.00 0.00 H new ATOM 385 N VAL A 27 -0.200 16.915 -2.764 1.00 0.00 N ATOM 386 CA VAL A 27 -1.274 17.684 -3.466 1.00 0.00 C ATOM 387 C VAL A 27 -2.640 17.090 -3.177 1.00 0.00 C ATOM 388 O VAL A 27 -2.744 16.025 -2.611 1.00 0.00 O ATOM 389 CB VAL A 27 -1.042 17.628 -4.990 1.00 0.00 C ATOM 390 CG1 VAL A 27 -0.771 19.039 -5.504 1.00 0.00 C ATOM 391 CG2 VAL A 27 0.156 16.745 -5.299 1.00 0.00 C ATOM 0 H VAL A 27 0.429 16.380 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.239 18.713 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.926 17.216 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.606 19.008 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.628 19.676 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.115 19.441 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.314 16.710 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.043 17.153 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.029 15.737 -4.927 1.00 0.00 H new ATOM 401 N THR A 28 -3.669 17.798 -3.565 1.00 0.00 N ATOM 402 CA THR A 28 -5.040 17.285 -3.320 1.00 0.00 C ATOM 403 C THR A 28 -5.291 16.065 -4.194 1.00 0.00 C ATOM 404 O THR A 28 -6.023 16.126 -5.158 1.00 0.00 O ATOM 405 CB THR A 28 -6.040 18.386 -3.693 1.00 0.00 C ATOM 406 OG1 THR A 28 -5.484 19.582 -3.186 1.00 0.00 O ATOM 407 CG2 THR A 28 -7.357 18.214 -2.922 1.00 0.00 C ATOM 0 H THR A 28 -3.616 18.701 -4.037 1.00 0.00 H new ATOM 0 HA THR A 28 -5.154 17.006 -2.272 1.00 0.00 H new ATOM 0 HB THR A 28 -6.223 18.370 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.078 20.333 -3.394 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.050 19.007 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.796 17.246 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.161 18.267 -1.851 1.00 0.00 H new ATOM 415 N VAL A 29 -4.682 14.973 -3.827 1.00 0.00 N ATOM 416 CA VAL A 29 -4.859 13.733 -4.615 1.00 0.00 C ATOM 417 C VAL A 29 -6.263 13.160 -4.469 1.00 0.00 C ATOM 418 O VAL A 29 -6.749 12.964 -3.372 1.00 0.00 O ATOM 419 CB VAL A 29 -3.846 12.693 -4.103 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.622 11.630 -5.194 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.517 13.400 -3.774 1.00 0.00 C ATOM 0 H VAL A 29 -4.070 14.890 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.701 13.967 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.227 12.210 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.905 10.889 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.568 11.139 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.234 12.108 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.796 12.668 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.127 13.879 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.687 14.154 -3.006 1.00 0.00 H new ATOM 431 N ARG A 30 -6.890 12.906 -5.588 1.00 0.00 N ATOM 432 CA ARG A 30 -8.249 12.348 -5.549 1.00 0.00 C ATOM 433 C ARG A 30 -8.196 10.924 -5.020 1.00 0.00 C ATOM 434 O ARG A 30 -8.922 10.564 -4.114 1.00 0.00 O ATOM 435 CB ARG A 30 -8.800 12.334 -6.982 1.00 0.00 C ATOM 436 CG ARG A 30 -10.311 12.581 -6.940 1.00 0.00 C ATOM 437 CD ARG A 30 -10.601 14.060 -6.628 1.00 0.00 C ATOM 438 NE ARG A 30 -11.392 14.642 -7.750 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.646 14.300 -7.899 1.00 0.00 C ATOM 440 NH1 ARG A 30 -13.254 13.669 -6.929 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.250 14.595 -9.017 1.00 0.00 N ATOM 0 H ARG A 30 -6.509 13.065 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.886 12.949 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.310 13.102 -7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.589 11.376 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.758 12.310 -7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.770 11.946 -6.182 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.153 14.147 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.668 14.609 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.959 15.302 -8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.751 13.449 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.232 13.396 -7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.745 15.084 -9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.227 14.337 -9.152 1.00 0.00 H new ATOM 455 N TYR A 31 -7.329 10.131 -5.602 1.00 0.00 N ATOM 456 CA TYR A 31 -7.208 8.723 -5.143 1.00 0.00 C ATOM 457 C TYR A 31 -6.203 7.939 -5.975 1.00 0.00 C ATOM 458 O TYR A 31 -5.745 8.394 -7.011 1.00 0.00 O ATOM 459 CB TYR A 31 -8.577 8.030 -5.260 1.00 0.00 C ATOM 460 CG TYR A 31 -9.336 8.562 -6.482 1.00 0.00 C ATOM 461 CD1 TYR A 31 -8.857 8.340 -7.760 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.518 9.256 -6.324 1.00 0.00 C ATOM 463 CE1 TYR A 31 -9.552 8.806 -8.859 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.212 9.719 -7.424 1.00 0.00 C ATOM 465 CZ TYR A 31 -10.734 9.500 -8.698 1.00 0.00 C ATOM 466 OH TYR A 31 -11.428 9.966 -9.795 1.00 0.00 O ATOM 0 H TYR A 31 -6.709 10.399 -6.366 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.863 8.743 -4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.441 6.952 -5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.160 8.205 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.933 7.799 -7.900 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.903 9.439 -5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.167 8.626 -9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.138 10.258 -7.285 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.238 10.431 -9.497 1.00 0.00 H new ATOM 476 N TYR A 32 -5.882 6.770 -5.486 1.00 0.00 N ATOM 477 CA TYR A 32 -4.914 5.893 -6.194 1.00 0.00 C ATOM 478 C TYR A 32 -5.579 4.560 -6.510 1.00 0.00 C ATOM 479 O TYR A 32 -6.624 4.255 -5.970 1.00 0.00 O ATOM 480 CB TYR A 32 -3.713 5.640 -5.260 1.00 0.00 C ATOM 481 CG TYR A 32 -2.532 6.516 -5.695 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.586 7.888 -5.552 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.395 5.946 -6.234 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.522 8.677 -5.941 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.332 6.736 -6.623 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.389 8.107 -6.480 1.00 0.00 C ATOM 487 OH TYR A 32 0.674 8.898 -6.867 1.00 0.00 O ATOM 0 H TYR A 32 -6.255 6.385 -4.618 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.587 6.368 -7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.987 5.866 -4.229 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.430 4.588 -5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.468 8.348 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.337 4.874 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.578 9.749 -5.822 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.551 6.277 -7.043 1.00 0.00 H new ATOM 0 HH TYR A 32 1.390 8.332 -7.225 1.00 0.00 H new ATOM 497 N ARG A 33 -4.978 3.786 -7.382 1.00 0.00 N ATOM 498 CA ARG A 33 -5.597 2.468 -7.722 1.00 0.00 C ATOM 499 C ARG A 33 -4.548 1.388 -7.887 1.00 0.00 C ATOM 500 O ARG A 33 -3.836 1.359 -8.867 1.00 0.00 O ATOM 501 CB ARG A 33 -6.379 2.614 -9.037 1.00 0.00 C ATOM 502 CG ARG A 33 -7.673 1.806 -8.938 1.00 0.00 C ATOM 503 CD ARG A 33 -8.294 1.680 -10.327 1.00 0.00 C ATOM 504 NE ARG A 33 -8.356 3.031 -10.953 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.267 3.278 -11.849 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.477 2.831 -11.657 1.00 0.00 N ATOM 507 NH2 ARG A 33 -8.937 3.960 -12.911 1.00 0.00 N ATOM 0 H ARG A 33 -4.105 4.003 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.259 2.177 -6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.604 3.664 -9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.777 2.260 -9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.468 0.817 -8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.370 2.295 -8.258 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.702 1.005 -10.945 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.294 1.252 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.691 3.755 -10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.696 2.298 -10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.204 3.015 -12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.979 4.290 -13.028 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.637 4.164 -13.624 1.00 0.00 H new ATOM 521 N ILE A 34 -4.480 0.505 -6.917 1.00 0.00 N ATOM 522 CA ILE A 34 -3.482 -0.591 -6.992 1.00 0.00 C ATOM 523 C ILE A 34 -4.130 -1.863 -7.505 1.00 0.00 C ATOM 524 O ILE A 34 -4.947 -2.460 -6.827 1.00 0.00 O ATOM 525 CB ILE A 34 -2.937 -0.852 -5.589 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.380 0.439 -5.003 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.795 -1.887 -5.689 1.00 0.00 C ATOM 528 CD1 ILE A 34 -1.944 0.189 -3.559 1.00 0.00 C ATOM 0 H ILE A 34 -5.071 0.502 -6.086 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.682 -0.299 -7.672 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.737 -1.224 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.534 0.786 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.136 1.223 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.395 -2.084 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.180 -2.813 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.003 -1.495 -6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.544 1.110 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.802 -0.139 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.175 -0.583 -3.540 1.00 0.00 H new ATOM 540 N THR A 35 -3.751 -2.255 -8.695 1.00 0.00 N ATOM 541 CA THR A 35 -4.326 -3.490 -9.289 1.00 0.00 C ATOM 542 C THR A 35 -3.237 -4.465 -9.679 1.00 0.00 C ATOM 543 O THR A 35 -2.255 -4.085 -10.287 1.00 0.00 O ATOM 544 CB THR A 35 -5.101 -3.101 -10.550 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.116 -2.842 -11.532 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.819 -1.759 -10.358 1.00 0.00 C ATOM 0 H THR A 35 -3.068 -1.770 -9.277 1.00 0.00 H new ATOM 0 HA THR A 35 -4.974 -3.966 -8.553 1.00 0.00 H new ATOM 0 HB THR A 35 -5.817 -3.884 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.226 -2.902 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.363 -1.504 -11.268 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.519 -1.837 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.086 -0.981 -10.144 1.00 0.00 H new ATOM 554 N TYR A 36 -3.426 -5.712 -9.310 1.00 0.00 N ATOM 555 CA TYR A 36 -2.412 -6.738 -9.652 1.00 0.00 C ATOM 556 C TYR A 36 -3.077 -7.924 -10.337 1.00 0.00 C ATOM 557 O TYR A 36 -4.157 -8.347 -9.952 1.00 0.00 O ATOM 558 CB TYR A 36 -1.706 -7.218 -8.359 1.00 0.00 C ATOM 559 CG TYR A 36 -2.664 -7.145 -7.163 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.094 -5.927 -6.674 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.095 -8.300 -6.544 1.00 0.00 C ATOM 562 CE1 TYR A 36 -3.941 -5.870 -5.589 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.940 -8.239 -5.458 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.370 -7.024 -4.973 1.00 0.00 C ATOM 565 OH TYR A 36 -5.214 -6.964 -3.884 1.00 0.00 O ATOM 0 H TYR A 36 -4.235 -6.053 -8.791 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.679 -6.301 -10.330 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.354 -8.242 -8.489 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.828 -6.601 -8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.764 -5.013 -7.145 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.767 -9.260 -6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.272 -4.911 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.268 -9.152 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.416 -7.872 -3.576 1.00 0.00 H new ATOM 575 N GLY A 37 -2.424 -8.428 -11.354 1.00 0.00 N ATOM 576 CA GLY A 37 -2.990 -9.590 -12.095 1.00 0.00 C ATOM 577 C GLY A 37 -1.867 -10.393 -12.758 1.00 0.00 C ATOM 578 O GLY A 37 -0.944 -9.830 -13.314 1.00 0.00 O ATOM 0 H GLY A 37 -1.528 -8.085 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.549 -10.229 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.693 -9.241 -12.852 1.00 0.00 H new ATOM 582 N GLU A 38 -1.968 -11.690 -12.682 1.00 0.00 N ATOM 583 CA GLU A 38 -0.933 -12.536 -13.294 1.00 0.00 C ATOM 584 C GLU A 38 -0.952 -12.415 -14.812 1.00 0.00 C ATOM 585 O GLU A 38 -1.909 -11.938 -15.388 1.00 0.00 O ATOM 586 CB GLU A 38 -1.230 -13.988 -12.910 1.00 0.00 C ATOM 587 CG GLU A 38 -0.657 -14.270 -11.524 1.00 0.00 C ATOM 588 CD GLU A 38 -1.559 -15.268 -10.796 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.703 -14.906 -10.578 1.00 0.00 O ATOM 590 OE2 GLU A 38 -1.052 -16.337 -10.497 1.00 0.00 O ATOM 0 H GLU A 38 -2.726 -12.192 -12.220 1.00 0.00 H new ATOM 0 HA GLU A 38 0.048 -12.220 -12.939 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.306 -14.165 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.792 -14.667 -13.642 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.353 -14.671 -11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.584 -13.344 -10.953 1.00 0.00 H new ATOM 597 N THR A 39 0.107 -12.850 -15.431 1.00 0.00 N ATOM 598 CA THR A 39 0.174 -12.771 -16.908 1.00 0.00 C ATOM 599 C THR A 39 -0.856 -13.698 -17.540 1.00 0.00 C ATOM 600 O THR A 39 -0.954 -14.855 -17.183 1.00 0.00 O ATOM 601 CB THR A 39 1.571 -13.216 -17.345 1.00 0.00 C ATOM 602 OG1 THR A 39 1.563 -13.147 -18.756 1.00 0.00 O ATOM 603 CG2 THR A 39 1.790 -14.703 -17.030 1.00 0.00 C ATOM 0 H THR A 39 0.925 -13.255 -14.977 1.00 0.00 H new ATOM 0 HA THR A 39 -0.031 -11.749 -17.226 1.00 0.00 H new ATOM 0 HB THR A 39 2.326 -12.605 -16.851 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.438 -13.421 -19.102 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.789 -14.999 -17.349 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.688 -14.867 -15.957 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.048 -15.300 -17.560 1.00 0.00 H new ATOM 611 N GLY A 40 -1.607 -13.175 -18.470 1.00 0.00 N ATOM 612 CA GLY A 40 -2.639 -14.020 -19.137 1.00 0.00 C ATOM 613 C GLY A 40 -3.560 -14.653 -18.090 1.00 0.00 C ATOM 614 O GLY A 40 -3.381 -15.795 -17.714 1.00 0.00 O ATOM 0 H GLY A 40 -1.553 -12.210 -18.795 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.224 -13.414 -19.828 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.156 -14.799 -19.726 1.00 0.00 H new ATOM 618 N GLY A 41 -4.530 -13.896 -17.640 1.00 0.00 N ATOM 619 CA GLY A 41 -5.470 -14.443 -16.617 1.00 0.00 C ATOM 620 C GLY A 41 -6.891 -13.925 -16.846 1.00 0.00 C ATOM 621 O GLY A 41 -7.166 -12.753 -16.671 1.00 0.00 O ATOM 0 H GLY A 41 -4.709 -12.936 -17.933 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.465 -15.532 -16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.132 -14.161 -15.620 1.00 0.00 H new ATOM 625 N ASN A 42 -7.766 -14.813 -17.233 1.00 0.00 N ATOM 626 CA ASN A 42 -9.171 -14.400 -17.478 1.00 0.00 C ATOM 627 C ASN A 42 -9.779 -13.809 -16.214 1.00 0.00 C ATOM 628 O ASN A 42 -10.892 -13.322 -16.221 1.00 0.00 O ATOM 629 CB ASN A 42 -9.973 -15.649 -17.877 1.00 0.00 C ATOM 630 CG ASN A 42 -11.397 -15.242 -18.259 1.00 0.00 C ATOM 631 OD1 ASN A 42 -12.251 -15.064 -17.411 1.00 0.00 O ATOM 632 ND2 ASN A 42 -11.694 -15.086 -19.519 1.00 0.00 N ATOM 0 H ASN A 42 -7.567 -15.801 -17.389 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.198 -13.648 -18.266 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.490 -16.152 -18.715 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.996 -16.359 -17.050 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.639 -14.816 -19.790 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.981 -15.234 -20.233 1.00 0.00 H new ATOM 639 N SER A 43 -9.032 -13.866 -15.148 1.00 0.00 N ATOM 640 CA SER A 43 -9.532 -13.320 -13.868 1.00 0.00 C ATOM 641 C SER A 43 -8.368 -12.706 -13.058 1.00 0.00 C ATOM 642 O SER A 43 -7.698 -13.413 -12.330 1.00 0.00 O ATOM 643 CB SER A 43 -10.117 -14.489 -13.055 1.00 0.00 C ATOM 644 OG SER A 43 -11.338 -14.791 -13.711 1.00 0.00 O ATOM 0 H SER A 43 -8.096 -14.269 -15.113 1.00 0.00 H new ATOM 0 HA SER A 43 -10.280 -12.551 -14.064 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.445 -15.347 -13.050 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.282 -14.208 -12.015 1.00 0.00 H new ATOM 0 HG SER A 43 -11.780 -15.536 -13.252 1.00 0.00 H new ATOM 650 N PRO A 44 -8.131 -11.392 -13.188 1.00 0.00 N ATOM 651 CA PRO A 44 -7.044 -10.762 -12.451 1.00 0.00 C ATOM 652 C PRO A 44 -7.195 -10.995 -10.957 1.00 0.00 C ATOM 653 O PRO A 44 -8.292 -11.152 -10.456 1.00 0.00 O ATOM 654 CB PRO A 44 -7.153 -9.258 -12.777 1.00 0.00 C ATOM 655 CG PRO A 44 -8.240 -9.105 -13.883 1.00 0.00 C ATOM 656 CD PRO A 44 -8.925 -10.473 -14.035 1.00 0.00 C ATOM 0 HA PRO A 44 -6.075 -11.174 -12.732 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.426 -8.690 -11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.195 -8.869 -13.122 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.965 -8.339 -13.607 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.790 -8.793 -14.825 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.964 -10.433 -13.708 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.930 -10.799 -15.075 1.00 0.00 H new ATOM 664 N VAL A 45 -6.089 -11.013 -10.268 1.00 0.00 N ATOM 665 CA VAL A 45 -6.153 -11.237 -8.810 1.00 0.00 C ATOM 666 C VAL A 45 -7.171 -10.328 -8.168 1.00 0.00 C ATOM 667 O VAL A 45 -8.256 -10.755 -7.824 1.00 0.00 O ATOM 668 CB VAL A 45 -4.778 -10.944 -8.191 1.00 0.00 C ATOM 669 CG1 VAL A 45 -4.810 -11.352 -6.718 1.00 0.00 C ATOM 670 CG2 VAL A 45 -3.702 -11.750 -8.921 1.00 0.00 C ATOM 0 H VAL A 45 -5.154 -10.883 -10.653 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.442 -12.273 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.549 -9.882 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.840 -11.150 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.580 -10.781 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.033 -12.416 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.728 -11.540 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.920 -12.814 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.691 -11.471 -9.975 1.00 0.00 H new ATOM 680 N GLN A 46 -6.817 -9.088 -8.023 1.00 0.00 N ATOM 681 CA GLN A 46 -7.770 -8.141 -7.397 1.00 0.00 C ATOM 682 C GLN A 46 -7.271 -6.705 -7.490 1.00 0.00 C ATOM 683 O GLN A 46 -6.137 -6.457 -7.852 1.00 0.00 O ATOM 684 CB GLN A 46 -7.909 -8.519 -5.905 1.00 0.00 C ATOM 685 CG GLN A 46 -9.044 -7.705 -5.262 1.00 0.00 C ATOM 686 CD GLN A 46 -9.730 -8.557 -4.191 1.00 0.00 C ATOM 687 OE1 GLN A 46 -9.301 -8.612 -3.054 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.799 -9.235 -4.510 1.00 0.00 N ATOM 0 H GLN A 46 -5.921 -8.692 -8.307 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.724 -8.205 -7.919 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.115 -9.585 -5.809 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.971 -8.327 -5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.647 -6.792 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.766 -7.403 -6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.164 -9.193 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.269 -9.806 -3.808 1.00 0.00 H new ATOM 697 N GLU A 47 -8.134 -5.785 -7.159 1.00 0.00 N ATOM 698 CA GLU A 47 -7.747 -4.359 -7.215 1.00 0.00 C ATOM 699 C GLU A 47 -8.493 -3.566 -6.147 1.00 0.00 C ATOM 700 O GLU A 47 -9.521 -3.999 -5.664 1.00 0.00 O ATOM 701 CB GLU A 47 -8.124 -3.810 -8.602 1.00 0.00 C ATOM 702 CG GLU A 47 -9.620 -4.043 -8.846 1.00 0.00 C ATOM 703 CD GLU A 47 -9.960 -3.663 -10.288 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.443 -4.337 -11.161 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.718 -2.718 -10.436 1.00 0.00 O ATOM 0 H GLU A 47 -9.090 -5.965 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.675 -4.265 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.895 -2.746 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.536 -4.305 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.872 -5.088 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.211 -3.447 -8.151 1.00 0.00 H new ATOM 712 N PHE A 48 -7.975 -2.417 -5.796 1.00 0.00 N ATOM 713 CA PHE A 48 -8.662 -1.606 -4.761 1.00 0.00 C ATOM 714 C PHE A 48 -8.075 -0.202 -4.687 1.00 0.00 C ATOM 715 O PHE A 48 -6.870 -0.021 -4.692 1.00 0.00 O ATOM 716 CB PHE A 48 -8.544 -2.328 -3.381 1.00 0.00 C ATOM 717 CG PHE A 48 -7.093 -2.321 -2.828 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.034 -2.860 -3.555 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.840 -1.847 -1.543 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.766 -2.920 -3.005 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.566 -1.916 -1.005 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.536 -2.454 -1.738 1.00 0.00 C ATOM 0 H PHE A 48 -7.119 -2.014 -6.177 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.714 -1.506 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -9.205 -1.843 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.885 -3.358 -3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.204 -3.233 -4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.644 -1.422 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.952 -3.337 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.382 -1.546 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.544 -2.509 -1.315 1.00 0.00 H new ATOM 732 N THR A 49 -8.953 0.774 -4.634 1.00 0.00 N ATOM 733 CA THR A 49 -8.487 2.184 -4.563 1.00 0.00 C ATOM 734 C THR A 49 -8.362 2.672 -3.130 1.00 0.00 C ATOM 735 O THR A 49 -8.917 2.094 -2.218 1.00 0.00 O ATOM 736 CB THR A 49 -9.505 3.064 -5.295 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.333 3.595 -4.283 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.454 2.215 -6.161 1.00 0.00 C ATOM 0 H THR A 49 -9.965 0.649 -4.637 1.00 0.00 H new ATOM 0 HA THR A 49 -7.501 2.242 -5.023 1.00 0.00 H new ATOM 0 HB THR A 49 -8.980 3.794 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.012 4.175 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.165 2.867 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.875 1.664 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.995 1.512 -5.527 1.00 0.00 H new ATOM 746 N VAL A 50 -7.632 3.744 -2.969 1.00 0.00 N ATOM 747 CA VAL A 50 -7.440 4.311 -1.616 1.00 0.00 C ATOM 748 C VAL A 50 -7.345 5.847 -1.694 1.00 0.00 C ATOM 749 O VAL A 50 -7.104 6.393 -2.753 1.00 0.00 O ATOM 750 CB VAL A 50 -6.109 3.755 -1.073 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.394 2.532 -0.204 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.223 3.339 -2.250 1.00 0.00 C ATOM 0 H VAL A 50 -7.162 4.247 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.277 4.045 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.604 4.518 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.456 2.134 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.037 2.819 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.892 1.769 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.279 2.945 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.730 2.571 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.028 4.205 -2.882 1.00 0.00 H new ATOM 762 N PRO A 51 -7.549 6.532 -0.566 1.00 0.00 N ATOM 763 CA PRO A 51 -7.476 7.997 -0.550 1.00 0.00 C ATOM 764 C PRO A 51 -6.059 8.503 -0.866 1.00 0.00 C ATOM 765 O PRO A 51 -5.719 9.626 -0.552 1.00 0.00 O ATOM 766 CB PRO A 51 -7.844 8.395 0.897 1.00 0.00 C ATOM 767 CG PRO A 51 -7.946 7.081 1.727 1.00 0.00 C ATOM 768 CD PRO A 51 -7.899 5.911 0.731 1.00 0.00 C ATOM 0 HA PRO A 51 -8.138 8.427 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.087 9.057 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.789 8.937 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.125 7.012 2.441 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.872 7.060 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.157 5.169 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.859 5.398 0.678 1.00 0.00 H new ATOM 776 N GLY A 52 -5.259 7.666 -1.483 1.00 0.00 N ATOM 777 CA GLY A 52 -3.868 8.092 -1.821 1.00 0.00 C ATOM 778 C GLY A 52 -3.138 8.570 -0.564 1.00 0.00 C ATOM 779 O GLY A 52 -2.184 9.319 -0.645 1.00 0.00 O ATOM 0 H GLY A 52 -5.507 6.717 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.325 7.261 -2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.895 8.892 -2.560 1.00 0.00 H new ATOM 783 N SER A 53 -3.599 8.120 0.573 1.00 0.00 N ATOM 784 CA SER A 53 -2.948 8.536 1.842 1.00 0.00 C ATOM 785 C SER A 53 -1.935 7.493 2.304 1.00 0.00 C ATOM 786 O SER A 53 -0.872 7.828 2.784 1.00 0.00 O ATOM 787 CB SER A 53 -4.037 8.675 2.915 1.00 0.00 C ATOM 788 OG SER A 53 -3.802 9.954 3.484 1.00 0.00 O ATOM 0 H SER A 53 -4.392 7.487 0.674 1.00 0.00 H new ATOM 0 HA SER A 53 -2.426 9.479 1.682 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.035 8.609 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.962 7.886 3.663 1.00 0.00 H new ATOM 0 HG SER A 53 -4.463 10.126 4.187 1.00 0.00 H new ATOM 794 N LYS A 54 -2.287 6.243 2.153 1.00 0.00 N ATOM 795 CA LYS A 54 -1.356 5.168 2.578 1.00 0.00 C ATOM 796 C LYS A 54 -0.177 5.057 1.615 1.00 0.00 C ATOM 797 O LYS A 54 -0.352 4.754 0.452 1.00 0.00 O ATOM 798 CB LYS A 54 -2.123 3.834 2.572 1.00 0.00 C ATOM 799 CG LYS A 54 -2.957 3.724 3.850 1.00 0.00 C ATOM 800 CD LYS A 54 -2.214 2.843 4.856 1.00 0.00 C ATOM 801 CE LYS A 54 -2.893 2.959 6.222 1.00 0.00 C ATOM 802 NZ LYS A 54 -2.229 4.007 7.047 1.00 0.00 N ATOM 0 H LYS A 54 -3.172 5.926 1.757 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.975 5.400 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.769 3.777 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.424 3.000 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.131 4.714 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.935 3.297 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.217 1.806 4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.171 3.151 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.947 3.204 6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.851 2.000 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.702 4.073 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.229 3.757 7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.292 4.924 6.560 1.00 0.00 H new ATOM 816 N SER A 55 1.006 5.303 2.117 1.00 0.00 N ATOM 817 CA SER A 55 2.201 5.215 1.238 1.00 0.00 C ATOM 818 C SER A 55 2.627 3.765 1.054 1.00 0.00 C ATOM 819 O SER A 55 3.281 3.422 0.087 1.00 0.00 O ATOM 820 CB SER A 55 3.350 5.994 1.899 1.00 0.00 C ATOM 821 OG SER A 55 3.627 7.046 0.987 1.00 0.00 O ATOM 0 H SER A 55 1.191 5.558 3.087 1.00 0.00 H new ATOM 0 HA SER A 55 1.959 5.634 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.059 6.380 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.223 5.361 2.054 1.00 0.00 H new ATOM 0 HG SER A 55 4.356 7.599 1.337 1.00 0.00 H new ATOM 827 N THR A 56 2.241 2.945 1.995 1.00 0.00 N ATOM 828 CA THR A 56 2.594 1.498 1.926 1.00 0.00 C ATOM 829 C THR A 56 1.334 0.650 2.018 1.00 0.00 C ATOM 830 O THR A 56 0.303 1.123 2.455 1.00 0.00 O ATOM 831 CB THR A 56 3.501 1.163 3.117 1.00 0.00 C ATOM 832 OG1 THR A 56 2.798 1.610 4.259 1.00 0.00 O ATOM 833 CG2 THR A 56 4.778 2.015 3.092 1.00 0.00 C ATOM 0 H THR A 56 1.694 3.217 2.812 1.00 0.00 H new ATOM 0 HA THR A 56 3.100 1.290 0.983 1.00 0.00 H new ATOM 0 HB THR A 56 3.751 0.102 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.327 1.423 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.404 1.758 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.326 1.822 2.170 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.512 3.071 3.141 1.00 0.00 H new ATOM 841 N ALA A 57 1.426 -0.585 1.610 1.00 0.00 N ATOM 842 CA ALA A 57 0.222 -1.448 1.679 1.00 0.00 C ATOM 843 C ALA A 57 0.589 -2.924 1.747 1.00 0.00 C ATOM 844 O ALA A 57 1.613 -3.339 1.240 1.00 0.00 O ATOM 845 CB ALA A 57 -0.611 -1.210 0.412 1.00 0.00 C ATOM 0 H ALA A 57 2.268 -1.025 1.239 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.334 -1.194 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.503 -1.835 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.904 -0.161 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.018 -1.464 -0.466 1.00 0.00 H new ATOM 851 N THR A 58 -0.269 -3.684 2.381 1.00 0.00 N ATOM 852 CA THR A 58 -0.026 -5.144 2.512 1.00 0.00 C ATOM 853 C THR A 58 -1.211 -5.907 1.941 1.00 0.00 C ATOM 854 O THR A 58 -2.272 -5.934 2.534 1.00 0.00 O ATOM 855 CB THR A 58 0.114 -5.479 4.002 1.00 0.00 C ATOM 856 OG1 THR A 58 1.229 -4.734 4.448 1.00 0.00 O ATOM 857 CG2 THR A 58 0.525 -6.948 4.200 1.00 0.00 C ATOM 0 H THR A 58 -1.130 -3.349 2.814 1.00 0.00 H new ATOM 0 HA THR A 58 0.879 -5.423 1.972 1.00 0.00 H new ATOM 0 HB THR A 58 -0.826 -5.275 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.374 -4.902 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.617 -7.160 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.233 -7.600 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.482 -7.127 3.710 1.00 0.00 H new ATOM 865 N ILE A 59 -1.006 -6.519 0.801 1.00 0.00 N ATOM 866 CA ILE A 59 -2.095 -7.282 0.168 1.00 0.00 C ATOM 867 C ILE A 59 -1.828 -8.779 0.253 1.00 0.00 C ATOM 868 O ILE A 59 -0.702 -9.203 0.433 1.00 0.00 O ATOM 869 CB ILE A 59 -2.142 -6.869 -1.299 1.00 0.00 C ATOM 870 CG1 ILE A 59 -0.719 -6.796 -1.862 1.00 0.00 C ATOM 871 CG2 ILE A 59 -2.786 -5.470 -1.399 1.00 0.00 C ATOM 872 CD1 ILE A 59 -0.769 -6.560 -3.382 1.00 0.00 C ATOM 0 H ILE A 59 -0.124 -6.516 0.289 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.037 -7.075 0.676 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.721 -7.599 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.168 -5.990 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.185 -7.721 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.826 -5.162 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.797 -5.505 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.191 -4.754 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.246 -6.509 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.303 -7.381 -3.860 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.285 -5.622 -3.588 1.00 0.00 H new ATOM 884 N SER A 60 -2.870 -9.559 0.121 1.00 0.00 N ATOM 885 CA SER A 60 -2.692 -11.031 0.193 1.00 0.00 C ATOM 886 C SER A 60 -3.656 -11.751 -0.751 1.00 0.00 C ATOM 887 O SER A 60 -4.800 -11.363 -0.888 1.00 0.00 O ATOM 888 CB SER A 60 -2.995 -11.471 1.633 1.00 0.00 C ATOM 889 OG SER A 60 -2.578 -12.827 1.676 1.00 0.00 O ATOM 0 H SER A 60 -3.826 -9.239 -0.032 1.00 0.00 H new ATOM 0 HA SER A 60 -1.673 -11.283 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.452 -10.864 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.055 -11.373 1.865 1.00 0.00 H new ATOM 0 HG SER A 60 -2.200 -13.025 2.558 1.00 0.00 H new ATOM 895 N GLY A 61 -3.178 -12.793 -1.383 1.00 0.00 N ATOM 896 CA GLY A 61 -4.058 -13.549 -2.323 1.00 0.00 C ATOM 897 C GLY A 61 -3.229 -14.456 -3.236 1.00 0.00 C ATOM 898 O GLY A 61 -3.737 -14.991 -4.203 1.00 0.00 O ATOM 0 H GLY A 61 -2.227 -13.150 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.771 -14.149 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.638 -12.850 -2.926 1.00 0.00 H new ATOM 902 N LEU A 62 -1.964 -14.601 -2.912 1.00 0.00 N ATOM 903 CA LEU A 62 -1.083 -15.469 -3.749 1.00 0.00 C ATOM 904 C LEU A 62 -0.280 -16.452 -2.900 1.00 0.00 C ATOM 905 O LEU A 62 0.033 -16.191 -1.756 1.00 0.00 O ATOM 906 CB LEU A 62 -0.089 -14.597 -4.570 1.00 0.00 C ATOM 907 CG LEU A 62 0.314 -13.302 -3.816 1.00 0.00 C ATOM 908 CD1 LEU A 62 -0.886 -12.325 -3.747 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.824 -13.636 -2.396 1.00 0.00 C ATOM 0 H LEU A 62 -1.510 -14.159 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.734 -16.033 -4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.805 -15.180 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.543 -14.333 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 62 1.123 -12.820 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.589 -11.421 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.202 -12.065 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.713 -12.801 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.102 -12.715 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.036 -14.140 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.694 -14.289 -2.466 1.00 0.00 H new ATOM 921 N LYS A 63 0.022 -17.583 -3.494 1.00 0.00 N ATOM 922 CA LYS A 63 0.807 -18.630 -2.769 1.00 0.00 C ATOM 923 C LYS A 63 2.075 -19.088 -3.547 1.00 0.00 C ATOM 924 O LYS A 63 3.106 -19.329 -2.949 1.00 0.00 O ATOM 925 CB LYS A 63 -0.105 -19.857 -2.503 1.00 0.00 C ATOM 926 CG LYS A 63 -1.579 -19.427 -2.586 1.00 0.00 C ATOM 927 CD LYS A 63 -2.453 -20.500 -1.923 1.00 0.00 C ATOM 928 CE LYS A 63 -2.697 -20.124 -0.461 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.016 -21.337 0.339 1.00 0.00 N ATOM 0 H LYS A 63 -0.242 -17.825 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 63 1.150 -18.187 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.098 -20.640 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.108 -20.276 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.719 -18.467 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.873 -19.292 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.403 -20.588 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.963 -21.472 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.814 -19.633 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.518 -19.410 -0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.179 -21.066 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.872 -21.789 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.220 -22.005 0.289 1.00 0.00 H new ATOM 943 N PRO A 64 1.981 -19.204 -4.866 1.00 0.00 N ATOM 944 CA PRO A 64 3.118 -19.628 -5.675 1.00 0.00 C ATOM 945 C PRO A 64 4.076 -18.475 -5.945 1.00 0.00 C ATOM 946 O PRO A 64 3.977 -17.421 -5.347 1.00 0.00 O ATOM 947 CB PRO A 64 2.487 -20.088 -7.010 1.00 0.00 C ATOM 948 CG PRO A 64 0.975 -19.699 -6.955 1.00 0.00 C ATOM 949 CD PRO A 64 0.753 -18.971 -5.621 1.00 0.00 C ATOM 0 HA PRO A 64 3.696 -20.404 -5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.979 -19.607 -7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.604 -21.164 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.710 -19.057 -7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.345 -20.586 -7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.578 -17.906 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.117 -19.364 -5.095 1.00 0.00 H new ATOM 957 N GLY A 65 4.983 -18.712 -6.843 1.00 0.00 N ATOM 958 CA GLY A 65 5.984 -17.664 -7.203 1.00 0.00 C ATOM 959 C GLY A 65 6.026 -17.529 -8.724 1.00 0.00 C ATOM 960 O GLY A 65 6.967 -17.960 -9.364 1.00 0.00 O ATOM 0 H GLY A 65 5.079 -19.592 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.715 -16.712 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.968 -17.934 -6.820 1.00 0.00 H new ATOM 964 N VAL A 66 4.996 -16.926 -9.265 1.00 0.00 N ATOM 965 CA VAL A 66 4.927 -16.739 -10.745 1.00 0.00 C ATOM 966 C VAL A 66 4.995 -15.259 -11.129 1.00 0.00 C ATOM 967 O VAL A 66 5.005 -14.389 -10.276 1.00 0.00 O ATOM 968 CB VAL A 66 3.575 -17.323 -11.220 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.426 -16.527 -10.588 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.479 -17.245 -12.753 1.00 0.00 C ATOM 0 H VAL A 66 4.201 -16.556 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 66 5.774 -17.241 -11.213 1.00 0.00 H new ATOM 0 HB VAL A 66 3.506 -18.367 -10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.473 -16.937 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.490 -16.595 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.497 -15.482 -10.891 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.525 -17.658 -13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.551 -16.205 -13.070 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.293 -17.817 -13.198 1.00 0.00 H new ATOM 980 N ASP A 67 5.054 -15.007 -12.413 1.00 0.00 N ATOM 981 CA ASP A 67 5.124 -13.603 -12.889 1.00 0.00 C ATOM 982 C ASP A 67 3.905 -12.814 -12.439 1.00 0.00 C ATOM 983 O ASP A 67 2.801 -13.320 -12.447 1.00 0.00 O ATOM 984 CB ASP A 67 5.161 -13.617 -14.422 1.00 0.00 C ATOM 985 CG ASP A 67 6.300 -12.717 -14.909 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.107 -11.515 -14.838 1.00 0.00 O ATOM 987 OD2 ASP A 67 7.297 -13.284 -15.323 1.00 0.00 O ATOM 0 H ASP A 67 5.056 -15.716 -13.147 1.00 0.00 H new ATOM 0 HA ASP A 67 6.015 -13.132 -12.475 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.306 -14.635 -14.784 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.210 -13.268 -14.823 1.00 0.00 H new ATOM 992 N TYR A 68 4.133 -11.586 -12.055 1.00 0.00 N ATOM 993 CA TYR A 68 3.015 -10.739 -11.599 1.00 0.00 C ATOM 994 C TYR A 68 3.142 -9.333 -12.170 1.00 0.00 C ATOM 995 O TYR A 68 4.148 -8.674 -11.981 1.00 0.00 O ATOM 996 CB TYR A 68 3.089 -10.660 -10.075 1.00 0.00 C ATOM 997 CG TYR A 68 1.930 -11.450 -9.466 1.00 0.00 C ATOM 998 CD1 TYR A 68 1.968 -12.830 -9.427 1.00 0.00 C ATOM 999 CD2 TYR A 68 0.837 -10.796 -8.935 1.00 0.00 C ATOM 1000 CE1 TYR A 68 0.932 -13.545 -8.864 1.00 0.00 C ATOM 1001 CE2 TYR A 68 -0.201 -11.510 -8.371 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.161 -12.892 -8.332 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.201 -13.608 -7.774 1.00 0.00 O ATOM 0 H TYR A 68 5.050 -11.140 -12.041 1.00 0.00 H new ATOM 0 HA TYR A 68 2.069 -11.165 -11.932 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.040 -11.062 -9.725 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.044 -9.620 -9.752 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.817 -13.354 -9.841 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.793 -9.717 -8.961 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.976 -14.624 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.050 -10.986 -7.957 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.620 -13.077 -7.065 1.00 0.00 H new ATOM 1013 N THR A 69 2.121 -8.901 -12.864 1.00 0.00 N ATOM 1014 CA THR A 69 2.157 -7.543 -13.457 1.00 0.00 C ATOM 1015 C THR A 69 1.353 -6.576 -12.602 1.00 0.00 C ATOM 1016 O THR A 69 0.145 -6.694 -12.503 1.00 0.00 O ATOM 1017 CB THR A 69 1.522 -7.615 -14.849 1.00 0.00 C ATOM 1018 OG1 THR A 69 0.912 -8.887 -14.915 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.601 -7.646 -15.943 1.00 0.00 C ATOM 0 H THR A 69 1.269 -9.432 -13.042 1.00 0.00 H new ATOM 0 HA THR A 69 3.188 -7.194 -13.514 1.00 0.00 H new ATOM 0 HB THR A 69 0.856 -6.765 -14.995 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.070 -8.872 -14.414 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.125 -7.697 -16.922 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.208 -6.743 -15.881 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.237 -8.520 -15.802 1.00 0.00 H new ATOM 1027 N ILE A 70 2.035 -5.635 -11.994 1.00 0.00 N ATOM 1028 CA ILE A 70 1.319 -4.649 -11.136 1.00 0.00 C ATOM 1029 C ILE A 70 1.147 -3.323 -11.854 1.00 0.00 C ATOM 1030 O ILE A 70 1.955 -2.949 -12.673 1.00 0.00 O ATOM 1031 CB ILE A 70 2.146 -4.413 -9.871 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.466 -3.747 -10.230 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.445 -5.772 -9.218 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.408 -2.268 -9.835 1.00 0.00 C ATOM 0 H ILE A 70 3.045 -5.510 -12.056 1.00 0.00 H new ATOM 0 HA ILE A 70 0.333 -5.047 -10.895 1.00 0.00 H new ATOM 0 HB ILE A 70 1.589 -3.771 -9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.289 -4.242 -9.714 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.657 -3.843 -11.299 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.035 -5.619 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.508 -6.266 -8.961 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.005 -6.395 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.352 -1.786 -10.090 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.594 -1.780 -10.372 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.236 -2.184 -8.762 1.00 0.00 H new ATOM 1046 N THR A 71 0.091 -2.633 -11.524 1.00 0.00 N ATOM 1047 CA THR A 71 -0.166 -1.322 -12.172 1.00 0.00 C ATOM 1048 C THR A 71 -0.793 -0.352 -11.182 1.00 0.00 C ATOM 1049 O THR A 71 -1.788 -0.671 -10.558 1.00 0.00 O ATOM 1050 CB THR A 71 -1.158 -1.531 -13.329 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.751 -2.719 -13.974 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.020 -0.428 -14.407 1.00 0.00 C ATOM 0 H THR A 71 -0.603 -2.922 -10.834 1.00 0.00 H new ATOM 0 HA THR A 71 0.779 -0.914 -12.530 1.00 0.00 H new ATOM 0 HB THR A 71 -2.173 -1.538 -12.931 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.352 -2.906 -14.725 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.737 -0.610 -15.208 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.216 0.546 -13.958 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.009 -0.442 -14.815 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.203 0.822 -11.055 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.767 1.828 -10.102 1.00 0.00 C ATOM 1062 C VAL A 72 -1.197 3.087 -10.839 1.00 0.00 C ATOM 1063 O VAL A 72 -0.565 3.502 -11.806 1.00 0.00 O ATOM 1064 CB VAL A 72 0.302 2.194 -9.049 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.508 1.003 -8.111 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.613 2.515 -9.741 1.00 0.00 C ATOM 0 H VAL A 72 0.630 1.118 -11.563 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.639 1.393 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.030 3.063 -8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.262 1.254 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.432 0.766 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.841 0.140 -8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.365 2.773 -8.995 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.947 1.646 -10.308 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.470 3.357 -10.418 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.280 3.664 -10.372 1.00 0.00 N ATOM 1077 CA TYR A 73 -2.805 4.899 -11.004 1.00 0.00 C ATOM 1078 C TYR A 73 -2.706 6.079 -10.043 1.00 0.00 C ATOM 1079 O TYR A 73 -3.011 5.948 -8.869 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.301 4.687 -11.317 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.492 3.676 -12.463 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.109 2.352 -12.317 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.101 4.064 -13.643 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.334 1.443 -13.329 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.327 3.149 -14.653 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.945 1.833 -14.503 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.176 0.917 -15.509 1.00 0.00 O ATOM 0 H TYR A 73 -2.820 3.324 -9.576 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.225 5.106 -11.903 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.815 4.330 -10.424 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.757 5.639 -11.589 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.631 2.030 -11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.403 5.092 -13.776 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.029 0.415 -13.201 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.807 3.467 -15.567 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.615 1.363 -16.263 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.284 7.209 -10.563 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.154 8.424 -9.711 1.00 0.00 C ATOM 1099 C ALA A 74 -3.056 9.517 -10.258 1.00 0.00 C ATOM 1100 O ALA A 74 -2.691 10.213 -11.187 1.00 0.00 O ATOM 1101 CB ALA A 74 -0.693 8.906 -9.759 1.00 0.00 C ATOM 0 H ALA A 74 -2.025 7.337 -11.541 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.440 8.193 -8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.583 9.796 -9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.038 8.119 -9.384 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.422 9.145 -10.788 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.225 9.649 -9.669 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.176 10.692 -10.144 1.00 0.00 C ATOM 1109 C VAL A 75 -5.322 11.837 -9.149 1.00 0.00 C ATOM 1110 O VAL A 75 -5.500 11.625 -7.960 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.546 10.026 -10.329 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.423 10.914 -11.213 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.356 8.670 -11.014 1.00 0.00 C ATOM 0 H VAL A 75 -4.553 9.082 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.793 11.111 -11.075 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.022 9.888 -9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.398 10.445 -11.347 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.551 11.887 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.946 11.044 -12.185 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.326 8.191 -11.149 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.886 8.816 -11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.721 8.036 -10.395 1.00 0.00 H new ATOM 1123 N THR A 76 -5.248 13.036 -9.669 1.00 0.00 N ATOM 1124 CA THR A 76 -5.377 14.234 -8.807 1.00 0.00 C ATOM 1125 C THR A 76 -6.248 15.277 -9.498 1.00 0.00 C ATOM 1126 O THR A 76 -6.792 16.159 -8.864 1.00 0.00 O ATOM 1127 CB THR A 76 -3.980 14.821 -8.572 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.370 13.966 -7.625 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.073 16.176 -7.861 1.00 0.00 C ATOM 0 H THR A 76 -5.103 13.230 -10.660 1.00 0.00 H new ATOM 0 HA THR A 76 -5.836 13.956 -7.858 1.00 0.00 H new ATOM 0 HB THR A 76 -3.456 14.921 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.465 14.287 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.071 16.574 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.647 16.870 -8.474 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.567 16.048 -6.898 1.00 0.00 H new ATOM 1137 N GLY A 77 -6.359 15.137 -10.797 1.00 0.00 N ATOM 1138 CA GLY A 77 -7.189 16.093 -11.607 1.00 0.00 C ATOM 1139 C GLY A 77 -7.151 17.508 -11.030 1.00 0.00 C ATOM 1140 O GLY A 77 -6.142 18.182 -11.088 1.00 0.00 O ATOM 0 H GLY A 77 -5.909 14.398 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.825 16.110 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.220 15.741 -11.640 1.00 0.00 H new ATOM 1144 N ARG A 78 -8.260 17.924 -10.485 1.00 0.00 N ATOM 1145 CA ARG A 78 -8.322 19.285 -9.899 1.00 0.00 C ATOM 1146 C ARG A 78 -7.284 19.449 -8.797 1.00 0.00 C ATOM 1147 O ARG A 78 -6.819 18.479 -8.230 1.00 0.00 O ATOM 1148 CB ARG A 78 -9.723 19.486 -9.294 1.00 0.00 C ATOM 1149 CG ARG A 78 -10.753 19.646 -10.425 1.00 0.00 C ATOM 1150 CD ARG A 78 -10.511 20.965 -11.176 1.00 0.00 C ATOM 1151 NE ARG A 78 -11.815 21.663 -11.360 1.00 0.00 N ATOM 1152 CZ ARG A 78 -12.272 21.865 -12.567 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -11.579 22.607 -13.388 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -13.403 21.317 -12.913 1.00 0.00 N ATOM 0 H ARG A 78 -9.121 17.381 -10.422 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.120 20.019 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.985 18.634 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.731 20.368 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.680 18.806 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.762 19.633 -10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.821 21.596 -10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.049 20.768 -12.143 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.347 21.981 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.697 23.018 -13.083 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.920 22.776 -14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.916 20.741 -12.245 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.775 21.464 -13.851 1.00 0.00 H new ATOM 1168 N GLY A 79 -6.943 20.679 -8.515 1.00 0.00 N ATOM 1169 CA GLY A 79 -5.932 20.942 -7.447 1.00 0.00 C ATOM 1170 C GLY A 79 -4.956 22.025 -7.902 1.00 0.00 C ATOM 1171 O GLY A 79 -4.399 22.746 -7.098 1.00 0.00 O ATOM 0 H GLY A 79 -7.318 21.509 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.433 21.255 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.389 20.026 -7.216 1.00 0.00 H new ATOM 1175 N ASP A 80 -4.776 22.112 -9.185 1.00 0.00 N ATOM 1176 CA ASP A 80 -3.846 23.134 -9.736 1.00 0.00 C ATOM 1177 C ASP A 80 -3.625 22.904 -11.223 1.00 0.00 C ATOM 1178 O ASP A 80 -3.880 23.774 -12.034 1.00 0.00 O ATOM 1179 CB ASP A 80 -2.492 23.007 -9.019 1.00 0.00 C ATOM 1180 CG ASP A 80 -2.357 24.128 -7.987 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -2.501 25.266 -8.403 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -2.116 23.784 -6.843 1.00 0.00 O ATOM 0 H ASP A 80 -5.232 21.520 -9.879 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.277 24.124 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.417 22.036 -8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.678 23.063 -9.742 1.00 0.00 H new ATOM 1187 N SER A 81 -3.148 21.728 -11.548 1.00 0.00 N ATOM 1188 CA SER A 81 -2.892 21.387 -12.961 1.00 0.00 C ATOM 1189 C SER A 81 -3.796 20.214 -13.406 1.00 0.00 C ATOM 1190 O SER A 81 -3.377 19.072 -13.381 1.00 0.00 O ATOM 1191 CB SER A 81 -1.429 20.936 -13.054 1.00 0.00 C ATOM 1192 OG SER A 81 -1.113 20.508 -11.739 1.00 0.00 O ATOM 0 H SER A 81 -2.926 20.989 -10.880 1.00 0.00 H new ATOM 0 HA SER A 81 -3.097 22.247 -13.598 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.306 20.129 -13.776 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.780 21.751 -13.374 1.00 0.00 H new ATOM 0 HG SER A 81 -0.184 20.198 -11.710 1.00 0.00 H new ATOM 1198 N PRO A 82 -5.037 20.509 -13.805 1.00 0.00 N ATOM 1199 CA PRO A 82 -5.949 19.457 -14.238 1.00 0.00 C ATOM 1200 C PRO A 82 -5.385 18.711 -15.453 1.00 0.00 C ATOM 1201 O PRO A 82 -5.703 19.017 -16.586 1.00 0.00 O ATOM 1202 CB PRO A 82 -7.272 20.189 -14.594 1.00 0.00 C ATOM 1203 CG PRO A 82 -7.056 21.704 -14.291 1.00 0.00 C ATOM 1204 CD PRO A 82 -5.590 21.878 -13.854 1.00 0.00 C ATOM 0 HA PRO A 82 -6.100 18.704 -13.465 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.525 20.039 -15.644 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.101 19.793 -14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.268 22.307 -15.174 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.734 22.039 -13.506 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.040 22.500 -14.560 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.524 22.365 -12.881 1.00 0.00 H new ATOM 1212 N ALA A 83 -4.536 17.751 -15.177 1.00 0.00 N ATOM 1213 CA ALA A 83 -3.923 16.957 -16.277 1.00 0.00 C ATOM 1214 C ALA A 83 -4.045 15.469 -15.993 1.00 0.00 C ATOM 1215 O ALA A 83 -3.289 14.918 -15.218 1.00 0.00 O ATOM 1216 CB ALA A 83 -2.434 17.323 -16.363 1.00 0.00 C ATOM 0 H ALA A 83 -4.244 17.486 -14.236 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.436 17.180 -17.212 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.965 16.752 -17.164 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.333 18.388 -16.570 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.947 17.089 -15.417 1.00 0.00 H new ATOM 1222 N SER A 84 -4.994 14.845 -16.627 1.00 0.00 N ATOM 1223 CA SER A 84 -5.179 13.394 -16.405 1.00 0.00 C ATOM 1224 C SER A 84 -3.857 12.652 -16.548 1.00 0.00 C ATOM 1225 O SER A 84 -3.333 12.513 -17.637 1.00 0.00 O ATOM 1226 CB SER A 84 -6.165 12.866 -17.458 1.00 0.00 C ATOM 1227 OG SER A 84 -5.722 13.452 -18.673 1.00 0.00 O ATOM 0 H SER A 84 -5.644 15.276 -17.284 1.00 0.00 H new ATOM 0 HA SER A 84 -5.560 13.232 -15.397 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.147 11.777 -17.511 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.190 13.157 -17.226 1.00 0.00 H new ATOM 0 HG SER A 84 -4.769 13.261 -18.800 1.00 0.00 H new ATOM 1233 N SER A 85 -3.337 12.187 -15.442 1.00 0.00 N ATOM 1234 CA SER A 85 -2.050 11.451 -15.491 1.00 0.00 C ATOM 1235 C SER A 85 -2.158 10.232 -16.392 1.00 0.00 C ATOM 1236 O SER A 85 -3.123 10.078 -17.113 1.00 0.00 O ATOM 1237 CB SER A 85 -1.706 10.975 -14.073 1.00 0.00 C ATOM 1238 OG SER A 85 -2.263 11.967 -13.229 1.00 0.00 O ATOM 0 H SER A 85 -3.749 12.287 -14.514 1.00 0.00 H new ATOM 0 HA SER A 85 -1.280 12.115 -15.883 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.132 9.993 -13.868 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.629 10.891 -13.932 1.00 0.00 H new ATOM 0 HG SER A 85 -2.518 11.563 -12.373 1.00 0.00 H new ATOM 1244 N LYS A 86 -1.160 9.381 -16.322 1.00 0.00 N ATOM 1245 CA LYS A 86 -1.167 8.153 -17.161 1.00 0.00 C ATOM 1246 C LYS A 86 -0.790 6.916 -16.291 1.00 0.00 C ATOM 1247 O LYS A 86 0.130 6.992 -15.503 1.00 0.00 O ATOM 1248 CB LYS A 86 -0.083 8.327 -18.252 1.00 0.00 C ATOM 1249 CG LYS A 86 -0.731 8.349 -19.653 1.00 0.00 C ATOM 1250 CD LYS A 86 -1.439 9.691 -19.875 1.00 0.00 C ATOM 1251 CE LYS A 86 -1.810 9.826 -21.351 1.00 0.00 C ATOM 1252 NZ LYS A 86 -2.885 10.843 -21.521 1.00 0.00 N ATOM 0 H LYS A 86 -0.345 9.489 -15.719 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.155 8.002 -17.596 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.467 9.253 -18.084 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.639 7.512 -18.190 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.030 8.198 -20.418 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.445 7.531 -19.747 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.334 9.750 -19.256 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.789 10.513 -19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.932 10.114 -21.929 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.145 8.864 -21.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.128 10.926 -22.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.727 10.551 -20.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.551 11.763 -21.169 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.503 5.785 -16.441 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.190 4.593 -15.648 1.00 0.00 C ATOM 1268 C PRO A 87 0.228 4.101 -15.909 1.00 0.00 C ATOM 1269 O PRO A 87 0.752 4.264 -16.994 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.187 3.517 -16.131 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.044 4.149 -17.269 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.635 5.625 -17.381 1.00 0.00 C ATOM 0 HA PRO A 87 -1.264 4.808 -14.582 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.655 2.638 -16.495 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.823 3.188 -15.310 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.873 3.630 -18.212 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.107 4.061 -17.044 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.340 5.876 -18.400 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.462 6.284 -17.118 1.00 0.00 H new ATOM 1280 N ILE A 88 0.827 3.508 -14.903 1.00 0.00 N ATOM 1281 CA ILE A 88 2.212 2.995 -15.073 1.00 0.00 C ATOM 1282 C ILE A 88 2.316 1.626 -14.433 1.00 0.00 C ATOM 1283 O ILE A 88 1.839 1.424 -13.334 1.00 0.00 O ATOM 1284 CB ILE A 88 3.195 3.962 -14.402 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.626 3.539 -14.726 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.996 3.906 -12.877 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.610 4.525 -14.086 1.00 0.00 C ATOM 0 H ILE A 88 0.416 3.361 -13.981 1.00 0.00 H new ATOM 0 HA ILE A 88 2.453 2.917 -16.133 1.00 0.00 H new ATOM 0 HB ILE A 88 3.016 4.973 -14.767 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.811 2.531 -14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.773 3.512 -15.806 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.692 4.592 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.974 4.195 -12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.181 2.892 -12.523 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.631 4.222 -14.318 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.430 5.526 -14.479 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.469 4.529 -13.005 1.00 0.00 H new ATOM 1299 N SER A 89 2.938 0.703 -15.129 1.00 0.00 N ATOM 1300 CA SER A 89 3.070 -0.665 -14.564 1.00 0.00 C ATOM 1301 C SER A 89 4.464 -1.246 -14.752 1.00 0.00 C ATOM 1302 O SER A 89 5.257 -0.752 -15.529 1.00 0.00 O ATOM 1303 CB SER A 89 2.082 -1.565 -15.310 1.00 0.00 C ATOM 1304 OG SER A 89 1.525 -0.719 -16.306 1.00 0.00 O ATOM 0 H SER A 89 3.353 0.841 -16.051 1.00 0.00 H new ATOM 0 HA SER A 89 2.874 -0.612 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.583 -2.426 -15.753 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.313 -1.953 -14.642 1.00 0.00 H new ATOM 0 HG SER A 89 0.874 -1.224 -16.837 1.00 0.00 H new ATOM 1310 N ILE A 90 4.728 -2.297 -14.015 1.00 0.00 N ATOM 1311 CA ILE A 90 6.050 -2.966 -14.100 1.00 0.00 C ATOM 1312 C ILE A 90 5.878 -4.470 -13.883 1.00 0.00 C ATOM 1313 O ILE A 90 4.937 -4.897 -13.239 1.00 0.00 O ATOM 1314 CB ILE A 90 6.976 -2.418 -13.000 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.507 -1.046 -12.533 1.00 0.00 C ATOM 1316 CG2 ILE A 90 8.390 -2.271 -13.585 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.494 -0.510 -11.491 1.00 0.00 C ATOM 0 H ILE A 90 4.075 -2.719 -13.355 1.00 0.00 H new ATOM 0 HA ILE A 90 6.482 -2.776 -15.083 1.00 0.00 H new ATOM 0 HB ILE A 90 6.965 -3.105 -12.154 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.444 -0.362 -13.379 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.507 -1.116 -12.104 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.062 -1.883 -12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.747 -3.244 -13.922 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.365 -1.581 -14.429 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.166 0.472 -11.151 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.534 -1.193 -10.643 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.485 -0.427 -11.937 1.00 0.00 H new ATOM 1329 N ASN A 91 6.787 -5.246 -14.421 1.00 0.00 N ATOM 1330 CA ASN A 91 6.690 -6.718 -14.257 1.00 0.00 C ATOM 1331 C ASN A 91 7.686 -7.226 -13.217 1.00 0.00 C ATOM 1332 O ASN A 91 8.772 -6.698 -13.087 1.00 0.00 O ATOM 1333 CB ASN A 91 7.032 -7.362 -15.605 1.00 0.00 C ATOM 1334 CG ASN A 91 7.940 -6.421 -16.403 1.00 0.00 C ATOM 1335 OD1 ASN A 91 7.491 -5.682 -17.257 1.00 0.00 O ATOM 1336 ND2 ASN A 91 9.224 -6.419 -16.158 1.00 0.00 N ATOM 0 H ASN A 91 7.587 -4.919 -14.963 1.00 0.00 H new ATOM 0 HA ASN A 91 5.683 -6.974 -13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.530 -8.319 -15.447 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.119 -7.566 -16.165 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.842 -5.800 -16.682 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.608 -7.037 -15.443 1.00 0.00 H new ATOM 1343 N TYR A 92 7.296 -8.244 -12.490 1.00 0.00 N ATOM 1344 CA TYR A 92 8.216 -8.792 -11.457 1.00 0.00 C ATOM 1345 C TYR A 92 7.825 -10.215 -11.074 1.00 0.00 C ATOM 1346 O TYR A 92 6.661 -10.566 -11.082 1.00 0.00 O ATOM 1347 CB TYR A 92 8.136 -7.908 -10.203 1.00 0.00 C ATOM 1348 CG TYR A 92 9.223 -8.344 -9.215 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.973 -9.334 -8.285 1.00 0.00 C ATOM 1350 CD2 TYR A 92 10.473 -7.761 -9.250 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.960 -9.734 -7.406 1.00 0.00 C ATOM 1352 CE2 TYR A 92 11.458 -8.161 -8.371 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.209 -9.150 -7.441 1.00 0.00 C ATOM 1354 OH TYR A 92 12.194 -9.548 -6.559 1.00 0.00 O ATOM 0 H TYR A 92 6.393 -8.711 -12.568 1.00 0.00 H new ATOM 0 HA TYR A 92 9.227 -8.803 -11.864 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.270 -6.860 -10.472 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.152 -7.996 -9.743 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.999 -9.799 -8.245 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.682 -6.985 -9.972 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.752 -10.511 -6.685 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.432 -7.696 -8.411 1.00 0.00 H new ATOM 0 HH TYR A 92 13.010 -9.032 -6.726 1.00 0.00 H new ATOM 1364 N ARG A 93 8.810 -11.013 -10.747 1.00 0.00 N ATOM 1365 CA ARG A 93 8.513 -12.419 -10.359 1.00 0.00 C ATOM 1366 C ARG A 93 8.232 -12.518 -8.870 1.00 0.00 C ATOM 1367 O ARG A 93 9.143 -12.488 -8.066 1.00 0.00 O ATOM 1368 CB ARG A 93 9.732 -13.312 -10.689 1.00 0.00 C ATOM 1369 CG ARG A 93 10.958 -12.444 -10.991 1.00 0.00 C ATOM 1370 CD ARG A 93 10.798 -11.805 -12.376 1.00 0.00 C ATOM 1371 NE ARG A 93 11.737 -12.474 -13.322 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.231 -11.797 -14.321 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.023 -10.793 -14.069 1.00 0.00 N ATOM 1374 NH2 ARG A 93 11.922 -12.153 -15.539 1.00 0.00 N ATOM 0 H ARG A 93 9.796 -10.753 -10.733 1.00 0.00 H new ATOM 0 HA ARG A 93 7.635 -12.750 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.944 -13.975 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.506 -13.946 -11.546 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.066 -11.670 -10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.863 -13.050 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.771 -11.911 -12.725 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.009 -10.737 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 93 11.991 -13.453 -13.189 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.246 -10.549 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.420 -10.251 -14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.304 -12.949 -15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.299 -11.635 -16.333 1.00 0.00 H new ATOM 1388 N THR A 94 6.966 -12.641 -8.533 1.00 0.00 N ATOM 1389 CA THR A 94 6.588 -12.744 -7.093 1.00 0.00 C ATOM 1390 C THR A 94 5.858 -14.059 -6.821 1.00 0.00 C ATOM 1391 O THR A 94 5.353 -14.615 -7.790 1.00 0.00 O ATOM 1392 CB THR A 94 5.648 -11.577 -6.752 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.518 -10.845 -7.949 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.314 -10.587 -5.770 1.00 0.00 C ATOM 1395 OXT THR A 94 5.843 -14.440 -5.662 1.00 0.00 O ATOM 0 H THR A 94 6.187 -12.674 -9.191 1.00 0.00 H new ATOM 0 HA THR A 94 7.491 -12.709 -6.483 1.00 0.00 H new ATOM 0 HB THR A 94 4.723 -11.967 -6.328 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.924 -10.079 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.623 -9.773 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.570 -11.107 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.220 -10.181 -6.221 1.00 0.00 H new TER 1403 THR A 94