USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 758 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: B 110 GLN : amide:sc= 0 X(o=-0.52,f=-0.52) USER MOD Set 1.2: B 114 ASN : amide:sc= -0.521 K(o=-0.52,f=-1.3) USER MOD Set 2.1: A 33 TYR OH : rot 16:sc= -0.306 USER MOD Set 2.2: A 70 HIS : no HD1:sc= -0.0109 K(o=-0.32,f=-11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HE2:sc= 0.0673 F(o=-0.62,f=0.067) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= -0.171 (180deg=-0.374) USER MOD Single : A 19 ASN : amide:sc= -0.0709 X(o=-0.071,f=-0.38) USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= 0.733 (180deg=-0.184) USER MOD Single : A 25 TYR OH : rot 130:sc= -1.44 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.208 K(o=-0.21,f=-1.4) USER MOD Single : A 35 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -148:sc= -3.01 (180deg=-4.11!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 1.14 F(o=0,f=1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= -0.343 (180deg=-1.27!) USER MOD Single : A 71 GLN : amide:sc= -1.01 K(o=-1,f=-7.1!) USER MOD Single : A 74 TYR OH : rot -141:sc= -0.625 USER MOD Single : A 76 GLN : amide:sc= -0.0352 K(o=-0.035,f=-0.73) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ARG A 3 -15.354 4.389 1.742 1.00 0.00 N ATOM 33 CA ARG A 3 -15.818 3.043 2.057 1.00 0.00 C ATOM 34 C ARG A 3 -15.683 2.125 0.847 1.00 0.00 C ATOM 35 O ARG A 3 -15.191 1.002 0.957 1.00 0.00 O ATOM 36 CB ARG A 3 -17.274 3.082 2.530 1.00 0.00 C ATOM 37 CG ARG A 3 -17.425 2.972 4.039 1.00 0.00 C ATOM 38 CD ARG A 3 -18.856 3.241 4.480 1.00 0.00 C ATOM 39 NE ARG A 3 -18.958 4.445 5.304 1.00 0.00 N ATOM 40 CZ ARG A 3 -19.157 5.667 4.814 1.00 0.00 C ATOM 41 NH1 ARG A 3 -19.277 5.860 3.506 1.00 0.00 N ATOM 42 NH2 ARG A 3 -19.235 6.704 5.638 1.00 0.00 N ATOM 0 HA ARG A 3 -15.195 2.646 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.732 4.012 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.823 2.267 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.125 1.976 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -16.755 3.681 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.492 3.348 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.229 2.385 5.042 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.871 4.342 6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -19.217 5.068 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -19.429 6.800 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.143 6.564 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.387 7.641 5.265 1.00 0.00 H new ATOM 56 N LYS A 4 -16.123 2.613 -0.309 1.00 0.00 N ATOM 57 CA LYS A 4 -16.049 1.839 -1.543 1.00 0.00 C ATOM 58 C LYS A 4 -14.607 1.493 -1.881 1.00 0.00 C ATOM 59 O LYS A 4 -14.334 0.443 -2.458 1.00 0.00 O ATOM 60 CB LYS A 4 -16.695 2.607 -2.698 1.00 0.00 C ATOM 61 CG LYS A 4 -18.141 2.217 -2.955 1.00 0.00 C ATOM 62 CD LYS A 4 -18.534 2.460 -4.404 1.00 0.00 C ATOM 63 CE LYS A 4 -19.557 1.442 -4.884 1.00 0.00 C ATOM 64 NZ LYS A 4 -19.291 1.003 -6.282 1.00 0.00 N ATOM 0 H LYS A 4 -16.534 3.540 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.598 0.909 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.648 3.675 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.115 2.438 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.284 1.165 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -18.796 2.790 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.944 3.465 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.647 2.411 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.544 0.575 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.556 1.875 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.010 0.310 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.328 1.826 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.348 0.567 -6.335 1.00 0.00 H new ATOM 78 N VAL A 5 -13.682 2.373 -1.513 1.00 0.00 N ATOM 79 CA VAL A 5 -12.268 2.138 -1.777 1.00 0.00 C ATOM 80 C VAL A 5 -11.860 0.767 -1.255 1.00 0.00 C ATOM 81 O VAL A 5 -11.008 0.095 -1.834 1.00 0.00 O ATOM 82 CB VAL A 5 -11.379 3.212 -1.120 1.00 0.00 C ATOM 83 CG1 VAL A 5 -9.921 3.009 -1.505 1.00 0.00 C ATOM 84 CG2 VAL A 5 -11.854 4.606 -1.503 1.00 0.00 C ATOM 0 H VAL A 5 -13.885 3.250 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.126 2.186 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.460 3.112 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.309 3.777 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.590 2.025 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.817 3.079 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.214 5.351 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.806 4.722 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.882 4.745 -1.168 1.00 0.00 H new ATOM 94 N ALA A 6 -12.492 0.357 -0.160 1.00 0.00 N ATOM 95 CA ALA A 6 -12.214 -0.937 0.442 1.00 0.00 C ATOM 96 C ALA A 6 -12.759 -2.065 -0.425 1.00 0.00 C ATOM 97 O ALA A 6 -12.092 -3.077 -0.632 1.00 0.00 O ATOM 98 CB ALA A 6 -12.807 -1.009 1.841 1.00 0.00 C ATOM 0 H ALA A 6 -13.201 0.905 0.327 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.133 -1.055 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.590 -1.984 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.370 -0.227 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.886 -0.868 1.786 1.00 0.00 H new ATOM 104 N ARG A 7 -13.973 -1.880 -0.936 1.00 0.00 N ATOM 105 CA ARG A 7 -14.601 -2.885 -1.788 1.00 0.00 C ATOM 106 C ARG A 7 -13.872 -3.005 -3.116 1.00 0.00 C ATOM 107 O ARG A 7 -13.646 -4.106 -3.613 1.00 0.00 O ATOM 108 CB ARG A 7 -16.073 -2.542 -2.025 1.00 0.00 C ATOM 109 CG ARG A 7 -16.921 -3.742 -2.417 1.00 0.00 C ATOM 110 CD ARG A 7 -18.402 -3.458 -2.237 1.00 0.00 C ATOM 111 NE ARG A 7 -19.059 -3.151 -3.506 1.00 0.00 N ATOM 112 CZ ARG A 7 -20.237 -2.539 -3.603 1.00 0.00 C ATOM 113 NH1 ARG A 7 -20.891 -2.167 -2.510 1.00 0.00 N ATOM 114 NH2 ARG A 7 -20.763 -2.299 -4.795 1.00 0.00 N ATOM 0 H ARG A 7 -14.539 -1.047 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 7 -14.541 -3.845 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.484 -2.097 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.140 -1.788 -2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.723 -4.005 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.638 -4.603 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.884 -4.322 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.530 -2.621 -1.551 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.587 -3.422 -4.369 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.491 -2.350 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.793 -1.698 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.265 -2.583 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.666 -1.830 -4.869 1.00 0.00 H new ATOM 128 N GLU A 8 -13.498 -1.868 -3.683 1.00 0.00 N ATOM 129 CA GLU A 8 -12.784 -1.856 -4.950 1.00 0.00 C ATOM 130 C GLU A 8 -11.370 -2.386 -4.763 1.00 0.00 C ATOM 131 O GLU A 8 -10.806 -3.000 -5.665 1.00 0.00 O ATOM 132 CB GLU A 8 -12.746 -0.440 -5.530 1.00 0.00 C ATOM 133 CG GLU A 8 -13.895 -0.142 -6.480 1.00 0.00 C ATOM 134 CD GLU A 8 -13.876 1.286 -6.988 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.792 1.909 -6.971 1.00 0.00 O ATOM 136 OE2 GLU A 8 -14.944 1.784 -7.402 1.00 0.00 O ATOM 0 H GLU A 8 -13.676 -0.945 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.311 -2.503 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.766 0.280 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.803 -0.297 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.848 -0.826 -7.327 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.840 -0.330 -5.971 1.00 0.00 H new ATOM 143 N PHE A 9 -10.811 -2.152 -3.581 1.00 0.00 N ATOM 144 CA PHE A 9 -9.466 -2.616 -3.269 1.00 0.00 C ATOM 145 C PHE A 9 -9.475 -4.114 -2.985 1.00 0.00 C ATOM 146 O PHE A 9 -8.604 -4.850 -3.452 1.00 0.00 O ATOM 147 CB PHE A 9 -8.909 -1.856 -2.062 1.00 0.00 C ATOM 148 CG PHE A 9 -7.552 -2.330 -1.625 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.442 -2.140 -2.434 1.00 0.00 C ATOM 150 CD2 PHE A 9 -7.385 -2.965 -0.404 1.00 0.00 C ATOM 151 CE1 PHE A 9 -5.193 -2.576 -2.033 1.00 0.00 C ATOM 152 CE2 PHE A 9 -6.139 -3.403 0.001 1.00 0.00 C ATOM 153 CZ PHE A 9 -5.042 -3.208 -0.815 1.00 0.00 C ATOM 0 H PHE A 9 -11.269 -1.644 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.825 -2.426 -4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.853 -0.795 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.605 -1.955 -1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.554 -1.646 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.239 -3.119 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.336 -2.422 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.023 -3.897 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.067 -3.550 -0.501 1.00 0.00 H new ATOM 163 N ARG A 10 -10.466 -4.562 -2.218 1.00 0.00 N ATOM 164 CA ARG A 10 -10.586 -5.972 -1.877 1.00 0.00 C ATOM 165 C ARG A 10 -11.111 -6.775 -3.062 1.00 0.00 C ATOM 166 O ARG A 10 -10.720 -7.926 -3.266 1.00 0.00 O ATOM 167 CB ARG A 10 -11.498 -6.160 -0.659 1.00 0.00 C ATOM 168 CG ARG A 10 -12.948 -5.763 -0.902 1.00 0.00 C ATOM 169 CD ARG A 10 -13.905 -6.912 -0.614 1.00 0.00 C ATOM 170 NE ARG A 10 -14.804 -6.606 0.497 1.00 0.00 N ATOM 171 CZ ARG A 10 -15.475 -7.528 1.183 1.00 0.00 C ATOM 172 NH1 ARG A 10 -15.354 -8.815 0.875 1.00 0.00 N ATOM 173 NH2 ARG A 10 -16.269 -7.164 2.181 1.00 0.00 N ATOM 0 H ARG A 10 -11.195 -3.968 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.592 -6.342 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.465 -7.205 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.105 -5.571 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.202 -4.911 -0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.068 -5.441 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.492 -7.129 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.334 -7.811 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.924 -5.628 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.744 -9.101 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.871 -9.517 1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.365 -6.178 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.783 -7.870 2.707 1.00 0.00 H new ATOM 187 N HIS A 11 -11.995 -6.166 -3.850 1.00 0.00 N ATOM 188 CA HIS A 11 -12.557 -6.842 -5.014 1.00 0.00 C ATOM 189 C HIS A 11 -11.515 -6.980 -6.117 1.00 0.00 C ATOM 190 O HIS A 11 -11.482 -7.984 -6.830 1.00 0.00 O ATOM 191 CB HIS A 11 -13.783 -6.091 -5.536 1.00 0.00 C ATOM 192 CG HIS A 11 -14.608 -6.889 -6.498 1.00 0.00 C ATOM 193 ND1 HIS A 11 -14.408 -8.117 -7.032 1.00 0.00 N flip ATOM 194 CD2 HIS A 11 -15.802 -6.437 -7.020 1.00 0.00 C flip ATOM 195 CE1 HIS A 11 -15.472 -8.382 -7.857 1.00 0.00 C flip ATOM 196 NE2 HIS A 11 -16.300 -7.354 -7.833 1.00 0.00 N flip ATOM 0 H HIS A 11 -12.334 -5.215 -3.705 1.00 0.00 H new ATOM 0 HA HIS A 11 -12.866 -7.840 -4.705 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.406 -5.798 -4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -13.456 -5.173 -6.025 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -13.614 -8.731 -6.854 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -16.259 -5.484 -6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -15.610 -9.285 -8.433 1.00 0.00 H new ATOM 205 N LYS A 12 -10.652 -5.976 -6.249 1.00 0.00 N ATOM 206 CA LYS A 12 -9.608 -6.005 -7.256 1.00 0.00 C ATOM 207 C LYS A 12 -8.594 -7.091 -6.907 1.00 0.00 C ATOM 208 O LYS A 12 -8.311 -7.976 -7.714 1.00 0.00 O ATOM 209 CB LYS A 12 -8.949 -4.619 -7.352 1.00 0.00 C ATOM 210 CG LYS A 12 -7.439 -4.632 -7.517 1.00 0.00 C ATOM 211 CD LYS A 12 -7.032 -5.008 -8.933 1.00 0.00 C ATOM 212 CE LYS A 12 -6.650 -3.782 -9.747 1.00 0.00 C ATOM 213 NZ LYS A 12 -7.692 -2.721 -9.676 1.00 0.00 N ATOM 0 H LYS A 12 -10.659 -5.136 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.031 -6.243 -8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.386 -4.084 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.196 -4.054 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.038 -3.649 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.002 -5.340 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.191 -5.700 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.854 -5.529 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.703 -3.385 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.496 -4.070 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.452 -1.954 -10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.615 -3.123 -9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.738 -2.344 -8.708 1.00 0.00 H new ATOM 227 N VAL A 13 -8.062 -7.023 -5.690 1.00 0.00 N ATOM 228 CA VAL A 13 -7.092 -8.004 -5.225 1.00 0.00 C ATOM 229 C VAL A 13 -7.638 -9.416 -5.386 1.00 0.00 C ATOM 230 O VAL A 13 -6.906 -10.342 -5.734 1.00 0.00 O ATOM 231 CB VAL A 13 -6.715 -7.773 -3.748 1.00 0.00 C ATOM 232 CG1 VAL A 13 -5.604 -8.721 -3.323 1.00 0.00 C ATOM 233 CG2 VAL A 13 -6.305 -6.324 -3.522 1.00 0.00 C ATOM 0 H VAL A 13 -8.288 -6.298 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.197 -7.885 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.591 -7.980 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.353 -8.542 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.939 -9.751 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.723 -8.550 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.042 -6.179 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.444 -6.088 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.134 -5.666 -3.782 1.00 0.00 H new ATOM 243 N ASP A 14 -8.933 -9.574 -5.139 1.00 0.00 N ATOM 244 CA ASP A 14 -9.577 -10.872 -5.267 1.00 0.00 C ATOM 245 C ASP A 14 -9.693 -11.273 -6.735 1.00 0.00 C ATOM 246 O ASP A 14 -9.670 -12.458 -7.066 1.00 0.00 O ATOM 247 CB ASP A 14 -10.964 -10.845 -4.622 1.00 0.00 C ATOM 248 CG ASP A 14 -11.533 -12.235 -4.417 1.00 0.00 C ATOM 249 OD1 ASP A 14 -11.068 -13.174 -5.096 1.00 0.00 O ATOM 250 OD2 ASP A 14 -12.447 -12.385 -3.578 1.00 0.00 O ATOM 0 H ASP A 14 -9.555 -8.820 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.962 -11.610 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.905 -10.334 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.642 -10.267 -5.249 1.00 0.00 H new ATOM 255 N PHE A 15 -9.808 -10.278 -7.610 1.00 0.00 N ATOM 256 CA PHE A 15 -9.918 -10.532 -9.042 1.00 0.00 C ATOM 257 C PHE A 15 -8.600 -11.057 -9.596 1.00 0.00 C ATOM 258 O PHE A 15 -8.576 -11.807 -10.571 1.00 0.00 O ATOM 259 CB PHE A 15 -10.325 -9.252 -9.778 1.00 0.00 C ATOM 260 CG PHE A 15 -11.410 -9.466 -10.794 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.196 -10.278 -11.896 1.00 0.00 C ATOM 262 CD2 PHE A 15 -12.646 -8.856 -10.646 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.193 -10.477 -12.832 1.00 0.00 C ATOM 264 CE2 PHE A 15 -13.647 -9.051 -11.579 1.00 0.00 C ATOM 265 CZ PHE A 15 -13.420 -9.863 -12.674 1.00 0.00 C ATOM 0 H PHE A 15 -9.827 -9.291 -7.353 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.686 -11.289 -9.199 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.661 -8.514 -9.049 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.450 -8.834 -10.275 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.239 -10.761 -12.025 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.829 -8.221 -9.792 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.013 -11.112 -13.687 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -14.605 -8.569 -11.452 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.200 -10.017 -13.405 1.00 0.00 H new ATOM 275 N LEU A 16 -7.505 -10.645 -8.968 1.00 0.00 N ATOM 276 CA LEU A 16 -6.173 -11.057 -9.395 1.00 0.00 C ATOM 277 C LEU A 16 -5.773 -12.382 -8.755 1.00 0.00 C ATOM 278 O LEU A 16 -5.359 -13.316 -9.439 1.00 0.00 O ATOM 279 CB LEU A 16 -5.144 -9.978 -9.044 1.00 0.00 C ATOM 280 CG LEU A 16 -5.661 -8.538 -9.101 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.996 -7.689 -8.027 1.00 0.00 C ATOM 282 CD2 LEU A 16 -5.421 -7.940 -10.480 1.00 0.00 C ATOM 0 H LEU A 16 -7.514 -10.024 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.197 -11.193 -10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.767 -10.172 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.298 -10.070 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.735 -8.550 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.376 -6.669 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.218 -8.106 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.917 -7.684 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.795 -6.916 -10.503 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.353 -7.941 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.944 -8.534 -11.230 1.00 0.00 H new ATOM 294 N ILE A 17 -5.897 -12.450 -7.437 1.00 0.00 N ATOM 295 CA ILE A 17 -5.547 -13.653 -6.695 1.00 0.00 C ATOM 296 C ILE A 17 -6.613 -14.718 -6.823 1.00 0.00 C ATOM 297 O ILE A 17 -6.327 -15.861 -7.179 1.00 0.00 O ATOM 298 CB ILE A 17 -5.343 -13.359 -5.198 1.00 0.00 C ATOM 299 CG1 ILE A 17 -4.475 -12.120 -5.008 1.00 0.00 C ATOM 300 CG2 ILE A 17 -4.722 -14.559 -4.504 1.00 0.00 C ATOM 301 CD1 ILE A 17 -3.074 -12.269 -5.563 1.00 0.00 C ATOM 0 H ILE A 17 -6.239 -11.683 -6.858 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.614 -14.012 -7.129 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.317 -13.165 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.959 -11.270 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.413 -11.890 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.584 -14.336 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.380 -15.421 -4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.756 -14.782 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.515 -11.349 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.571 -13.097 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.126 -12.468 -6.633 1.00 0.00 H new ATOM 313 N GLU A 18 -7.841 -14.346 -6.498 1.00 0.00 N ATOM 314 CA GLU A 18 -8.944 -15.272 -6.540 1.00 0.00 C ATOM 315 C GLU A 18 -8.741 -16.386 -5.526 1.00 0.00 C ATOM 316 O GLU A 18 -9.527 -17.331 -5.444 1.00 0.00 O ATOM 317 CB GLU A 18 -9.102 -15.833 -7.940 1.00 0.00 C ATOM 318 CG GLU A 18 -8.964 -14.788 -9.032 1.00 0.00 C ATOM 319 CD GLU A 18 -9.506 -15.263 -10.366 1.00 0.00 C ATOM 320 OE1 GLU A 18 -10.700 -15.624 -10.429 1.00 0.00 O ATOM 321 OE2 GLU A 18 -8.735 -15.272 -11.350 1.00 0.00 O ATOM 0 H GLU A 18 -8.092 -13.403 -6.202 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.860 -14.742 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.355 -16.611 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.080 -16.308 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.491 -13.882 -8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.913 -14.523 -9.145 1.00 0.00 H new ATOM 328 N ASN A 19 -7.673 -16.257 -4.761 1.00 0.00 N ATOM 329 CA ASN A 19 -7.328 -17.234 -3.738 1.00 0.00 C ATOM 330 C ASN A 19 -7.651 -16.700 -2.346 1.00 0.00 C ATOM 331 O ASN A 19 -7.986 -15.528 -2.183 1.00 0.00 O ATOM 332 CB ASN A 19 -5.844 -17.598 -3.831 1.00 0.00 C ATOM 333 CG ASN A 19 -5.620 -19.095 -3.915 1.00 0.00 C ATOM 334 OD1 ASN A 19 -6.341 -19.804 -4.615 1.00 0.00 O ATOM 335 ND2 ASN A 19 -4.612 -19.583 -3.199 1.00 0.00 N ATOM 0 H ASN A 19 -7.021 -15.476 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.924 -18.130 -3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.409 -17.119 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.321 -17.203 -2.960 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.411 -20.583 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.039 -18.958 -2.632 1.00 0.00 H new ATOM 342 N ASP A 20 -7.550 -17.569 -1.346 1.00 0.00 N ATOM 343 CA ASP A 20 -7.831 -17.186 0.030 1.00 0.00 C ATOM 344 C ASP A 20 -6.546 -17.108 0.849 1.00 0.00 C ATOM 345 O ASP A 20 -6.297 -16.120 1.540 1.00 0.00 O ATOM 346 CB ASP A 20 -8.799 -18.181 0.673 1.00 0.00 C ATOM 347 CG ASP A 20 -10.244 -17.733 0.566 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.548 -16.918 -0.331 1.00 0.00 O ATOM 349 OD2 ASP A 20 -11.071 -18.195 1.379 1.00 0.00 O ATOM 0 H ASP A 20 -7.275 -18.544 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.292 -16.198 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.687 -19.154 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.538 -18.310 1.723 1.00 0.00 H new ATOM 354 N ALA A 21 -5.733 -18.156 0.766 1.00 0.00 N ATOM 355 CA ALA A 21 -4.473 -18.206 1.500 1.00 0.00 C ATOM 356 C ALA A 21 -3.583 -17.022 1.139 1.00 0.00 C ATOM 357 O ALA A 21 -2.940 -16.428 2.006 1.00 0.00 O ATOM 358 CB ALA A 21 -3.752 -19.516 1.224 1.00 0.00 C ATOM 0 H ALA A 21 -5.924 -18.982 0.198 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.698 -18.147 2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.814 -19.539 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.380 -20.350 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.545 -19.600 0.157 1.00 0.00 H new ATOM 364 N GLU A 22 -3.553 -16.685 -0.143 1.00 0.00 N ATOM 365 CA GLU A 22 -2.745 -15.570 -0.620 1.00 0.00 C ATOM 366 C GLU A 22 -3.282 -14.249 -0.081 1.00 0.00 C ATOM 367 O GLU A 22 -2.526 -13.419 0.420 1.00 0.00 O ATOM 368 CB GLU A 22 -2.720 -15.542 -2.148 1.00 0.00 C ATOM 369 CG GLU A 22 -1.822 -16.606 -2.761 1.00 0.00 C ATOM 370 CD GLU A 22 -1.132 -16.130 -4.024 1.00 0.00 C ATOM 371 OE1 GLU A 22 -1.615 -15.151 -4.631 1.00 0.00 O ATOM 372 OE2 GLU A 22 -0.109 -16.735 -4.406 1.00 0.00 O ATOM 0 H GLU A 22 -4.079 -17.168 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.727 -15.707 -0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.735 -15.675 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.384 -14.560 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.070 -16.906 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.416 -17.491 -2.988 1.00 0.00 H new ATOM 379 N LYS A 23 -4.596 -14.065 -0.179 1.00 0.00 N ATOM 380 CA LYS A 23 -5.228 -12.848 0.313 1.00 0.00 C ATOM 381 C LYS A 23 -5.034 -12.727 1.816 1.00 0.00 C ATOM 382 O LYS A 23 -4.915 -11.624 2.349 1.00 0.00 O ATOM 383 CB LYS A 23 -6.721 -12.841 -0.031 1.00 0.00 C ATOM 384 CG LYS A 23 -7.175 -11.575 -0.740 1.00 0.00 C ATOM 385 CD LYS A 23 -8.686 -11.540 -0.904 1.00 0.00 C ATOM 386 CE LYS A 23 -9.183 -12.708 -1.738 1.00 0.00 C ATOM 387 NZ LYS A 23 -9.783 -13.778 -0.894 1.00 0.00 N ATOM 0 H LYS A 23 -5.239 -14.740 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.758 -11.993 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.944 -13.701 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.297 -12.961 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.849 -10.703 -0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.700 -11.515 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.160 -11.565 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.980 -10.603 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.924 -12.353 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.355 -13.121 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.346 -14.692 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.616 -13.563 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.807 -13.827 -1.072 1.00 0.00 H new ATOM 401 N ASP A 24 -4.984 -13.867 2.493 1.00 0.00 N ATOM 402 CA ASP A 24 -4.782 -13.885 3.933 1.00 0.00 C ATOM 403 C ASP A 24 -3.428 -13.275 4.271 1.00 0.00 C ATOM 404 O ASP A 24 -3.330 -12.379 5.111 1.00 0.00 O ATOM 405 CB ASP A 24 -4.864 -15.317 4.469 1.00 0.00 C ATOM 406 CG ASP A 24 -5.309 -15.367 5.916 1.00 0.00 C ATOM 407 OD1 ASP A 24 -6.518 -15.181 6.172 1.00 0.00 O ATOM 408 OD2 ASP A 24 -4.451 -15.592 6.795 1.00 0.00 O ATOM 0 H ASP A 24 -5.081 -14.789 2.067 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.568 -13.296 4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.560 -15.892 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.888 -15.794 4.375 1.00 0.00 H new ATOM 413 N TYR A 25 -2.386 -13.761 3.601 1.00 0.00 N ATOM 414 CA TYR A 25 -1.038 -13.256 3.821 1.00 0.00 C ATOM 415 C TYR A 25 -0.919 -11.820 3.340 1.00 0.00 C ATOM 416 O TYR A 25 -0.396 -10.964 4.055 1.00 0.00 O ATOM 417 CB TYR A 25 -0.008 -14.140 3.117 1.00 0.00 C ATOM 418 CG TYR A 25 1.423 -13.723 3.372 1.00 0.00 C ATOM 419 CD1 TYR A 25 2.129 -14.221 4.459 1.00 0.00 C ATOM 420 CD2 TYR A 25 2.068 -12.833 2.522 1.00 0.00 C ATOM 421 CE1 TYR A 25 3.437 -13.841 4.695 1.00 0.00 C ATOM 422 CE2 TYR A 25 3.376 -12.450 2.751 1.00 0.00 C ATOM 423 CZ TYR A 25 4.055 -12.956 3.838 1.00 0.00 C ATOM 424 OH TYR A 25 5.358 -12.577 4.068 1.00 0.00 O ATOM 0 H TYR A 25 -2.451 -14.502 2.903 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.837 -13.280 4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.141 -15.171 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.198 -14.120 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.648 -14.917 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.539 -12.434 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.972 -14.235 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.864 -11.757 2.081 1.00 0.00 H new ATOM 0 HH TYR A 25 5.880 -12.683 3.245 1.00 0.00 H new ATOM 434 N LEU A 26 -1.424 -11.542 2.140 1.00 0.00 N ATOM 435 CA LEU A 26 -1.378 -10.185 1.614 1.00 0.00 C ATOM 436 C LEU A 26 -2.081 -9.264 2.589 1.00 0.00 C ATOM 437 O LEU A 26 -1.601 -8.171 2.890 1.00 0.00 O ATOM 438 CB LEU A 26 -2.030 -10.107 0.230 1.00 0.00 C ATOM 439 CG LEU A 26 -2.188 -8.692 -0.332 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.832 -8.099 -0.680 1.00 0.00 C ATOM 441 CD2 LEU A 26 -3.097 -8.702 -1.551 1.00 0.00 C ATOM 0 H LEU A 26 -1.862 -12.227 1.524 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.339 -9.877 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.435 -10.695 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.014 -10.573 0.282 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.647 -8.067 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.966 -7.093 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.213 -8.055 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.343 -8.723 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.198 -7.688 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.666 -9.343 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.079 -9.083 -1.270 1.00 0.00 H new ATOM 453 N TYR A 27 -3.199 -9.739 3.126 1.00 0.00 N ATOM 454 CA TYR A 27 -3.933 -8.977 4.119 1.00 0.00 C ATOM 455 C TYR A 27 -3.033 -8.764 5.330 1.00 0.00 C ATOM 456 O TYR A 27 -3.100 -7.731 5.997 1.00 0.00 O ATOM 457 CB TYR A 27 -5.215 -9.705 4.528 1.00 0.00 C ATOM 458 CG TYR A 27 -6.434 -9.259 3.752 1.00 0.00 C ATOM 459 CD1 TYR A 27 -6.787 -7.917 3.688 1.00 0.00 C ATOM 460 CD2 TYR A 27 -7.230 -10.180 3.082 1.00 0.00 C ATOM 461 CE1 TYR A 27 -7.900 -7.506 2.977 1.00 0.00 C ATOM 462 CE2 TYR A 27 -8.343 -9.777 2.371 1.00 0.00 C ATOM 463 CZ TYR A 27 -8.673 -8.438 2.322 1.00 0.00 C ATOM 464 OH TYR A 27 -9.782 -8.034 1.613 1.00 0.00 O ATOM 0 H TYR A 27 -3.611 -10.642 2.890 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.222 -8.015 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.076 -10.777 4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.392 -9.544 5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.183 -7.183 4.201 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.974 -11.229 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.161 -6.459 2.936 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.952 -10.506 1.856 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.215 -8.815 1.210 1.00 0.00 H new ATOM 474 N ASP A 28 -2.164 -9.748 5.589 1.00 0.00 N ATOM 475 CA ASP A 28 -1.226 -9.664 6.694 1.00 0.00 C ATOM 476 C ASP A 28 -0.144 -8.635 6.380 1.00 0.00 C ATOM 477 O ASP A 28 0.344 -7.944 7.275 1.00 0.00 O ATOM 478 CB ASP A 28 -0.591 -11.027 6.962 1.00 0.00 C ATOM 479 CG ASP A 28 0.019 -11.120 8.347 1.00 0.00 C ATOM 480 OD1 ASP A 28 -0.745 -11.111 9.336 1.00 0.00 O ATOM 481 OD2 ASP A 28 1.262 -11.202 8.444 1.00 0.00 O ATOM 0 H ASP A 28 -2.098 -10.608 5.044 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.767 -9.352 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.346 -11.805 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.180 -11.219 6.215 1.00 0.00 H new ATOM 486 N VAL A 29 0.222 -8.532 5.103 1.00 0.00 N ATOM 487 CA VAL A 29 1.239 -7.575 4.684 1.00 0.00 C ATOM 488 C VAL A 29 0.784 -6.151 4.980 1.00 0.00 C ATOM 489 O VAL A 29 1.530 -5.355 5.549 1.00 0.00 O ATOM 490 CB VAL A 29 1.561 -7.707 3.182 1.00 0.00 C ATOM 491 CG1 VAL A 29 2.679 -6.754 2.786 1.00 0.00 C ATOM 492 CG2 VAL A 29 1.933 -9.142 2.843 1.00 0.00 C ATOM 0 H VAL A 29 -0.168 -9.096 4.348 1.00 0.00 H new ATOM 0 HA VAL A 29 2.144 -7.796 5.250 1.00 0.00 H new ATOM 0 HB VAL A 29 0.670 -7.439 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.891 -6.863 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.373 -5.728 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.576 -6.987 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.157 -9.218 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.809 -9.437 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.100 -9.801 3.086 1.00 0.00 H new ATOM 502 N LEU A 30 -0.452 -5.841 4.599 1.00 0.00 N ATOM 503 CA LEU A 30 -1.010 -4.516 4.835 1.00 0.00 C ATOM 504 C LEU A 30 -1.085 -4.234 6.330 1.00 0.00 C ATOM 505 O LEU A 30 -0.735 -3.147 6.790 1.00 0.00 O ATOM 506 CB LEU A 30 -2.401 -4.403 4.208 1.00 0.00 C ATOM 507 CG LEU A 30 -2.477 -4.788 2.729 1.00 0.00 C ATOM 508 CD1 LEU A 30 -3.927 -4.938 2.291 1.00 0.00 C ATOM 509 CD2 LEU A 30 -1.764 -3.752 1.873 1.00 0.00 C ATOM 0 H LEU A 30 -1.083 -6.488 4.127 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.357 -3.778 4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.088 -5.037 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.751 -3.377 4.319 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.977 -5.748 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.962 -5.212 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.408 -5.716 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.451 -3.994 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.827 -4.041 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.236 -2.779 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.717 -3.693 2.170 1.00 0.00 H new ATOM 521 N ARG A 31 -1.538 -5.231 7.083 1.00 0.00 N ATOM 522 CA ARG A 31 -1.652 -5.104 8.532 1.00 0.00 C ATOM 523 C ARG A 31 -0.300 -4.751 9.142 1.00 0.00 C ATOM 524 O ARG A 31 -0.225 -4.021 10.131 1.00 0.00 O ATOM 525 CB ARG A 31 -2.182 -6.404 9.139 1.00 0.00 C ATOM 526 CG ARG A 31 -3.244 -6.187 10.206 1.00 0.00 C ATOM 527 CD ARG A 31 -2.786 -6.690 11.566 1.00 0.00 C ATOM 528 NE ARG A 31 -3.780 -6.434 12.607 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.806 -7.061 13.780 1.00 0.00 C ATOM 530 NH1 ARG A 31 -2.895 -7.981 14.068 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.746 -6.767 14.668 1.00 0.00 N ATOM 0 H ARG A 31 -1.832 -6.135 6.714 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.355 -4.302 8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.598 -7.024 8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.350 -6.959 9.573 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.482 -5.125 10.272 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.160 -6.702 9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.588 -7.760 11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.847 -6.206 11.834 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.497 -5.732 12.423 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.170 -8.211 13.389 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.920 -8.459 14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.449 -6.060 14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.766 -7.248 15.567 1.00 0.00 H new ATOM 545 N MET A 32 0.765 -5.268 8.538 1.00 0.00 N ATOM 546 CA MET A 32 2.116 -5.003 9.012 1.00 0.00 C ATOM 547 C MET A 32 2.506 -3.559 8.720 1.00 0.00 C ATOM 548 O MET A 32 2.936 -2.828 9.612 1.00 0.00 O ATOM 549 CB MET A 32 3.110 -5.964 8.356 1.00 0.00 C ATOM 550 CG MET A 32 3.862 -6.835 9.351 1.00 0.00 C ATOM 551 SD MET A 32 5.598 -6.374 9.510 1.00 0.00 S ATOM 552 CE MET A 32 5.824 -6.511 11.282 1.00 0.00 C ATOM 0 H MET A 32 0.717 -5.873 7.718 1.00 0.00 H new ATOM 0 HA MET A 32 2.142 -5.160 10.090 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.574 -6.606 7.656 1.00 0.00 H new ATOM 0 HB3 MET A 32 3.829 -5.388 7.774 1.00 0.00 H new ATOM 0 HG2 MET A 32 3.381 -6.763 10.326 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.795 -7.877 9.038 1.00 0.00 H new ATOM 0 HE1 MET A 32 6.852 -6.256 11.538 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.143 -5.827 11.790 1.00 0.00 H new ATOM 0 HE3 MET A 32 5.614 -7.533 11.598 1.00 0.00 H new ATOM 562 N TYR A 33 2.346 -3.153 7.463 1.00 0.00 N ATOM 563 CA TYR A 33 2.671 -1.792 7.051 1.00 0.00 C ATOM 564 C TYR A 33 1.907 -0.772 7.891 1.00 0.00 C ATOM 565 O TYR A 33 2.325 0.376 8.020 1.00 0.00 O ATOM 566 CB TYR A 33 2.350 -1.600 5.568 1.00 0.00 C ATOM 567 CG TYR A 33 2.548 -0.183 5.076 1.00 0.00 C ATOM 568 CD1 TYR A 33 3.766 0.466 5.240 1.00 0.00 C ATOM 569 CD2 TYR A 33 1.518 0.504 4.447 1.00 0.00 C ATOM 570 CE1 TYR A 33 3.951 1.759 4.791 1.00 0.00 C ATOM 571 CE2 TYR A 33 1.695 1.797 3.996 1.00 0.00 C ATOM 572 CZ TYR A 33 2.913 2.421 4.169 1.00 0.00 C ATOM 573 OH TYR A 33 3.092 3.708 3.721 1.00 0.00 O ATOM 0 H TYR A 33 1.993 -3.748 6.713 1.00 0.00 H new ATOM 0 HA TYR A 33 3.738 -1.633 7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.979 -2.269 4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.316 -1.895 5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.581 -0.049 5.726 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.563 0.019 4.308 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.904 2.249 4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.883 2.318 3.510 1.00 0.00 H new ATOM 0 HH TYR A 33 4.050 3.909 3.679 1.00 0.00 H new ATOM 583 N HIS A 34 0.785 -1.198 8.462 1.00 0.00 N ATOM 584 CA HIS A 34 -0.029 -0.318 9.289 1.00 0.00 C ATOM 585 C HIS A 34 0.589 -0.150 10.675 1.00 0.00 C ATOM 586 O HIS A 34 0.695 0.965 11.188 1.00 0.00 O ATOM 587 CB HIS A 34 -1.450 -0.874 9.414 1.00 0.00 C ATOM 588 CG HIS A 34 -2.357 -0.023 10.248 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.488 -0.172 11.613 1.00 0.00 N ATOM 590 CD2 HIS A 34 -3.183 0.994 9.904 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.355 0.714 12.071 1.00 0.00 C ATOM 592 NE2 HIS A 34 -3.790 1.434 11.053 1.00 0.00 N ATOM 0 H HIS A 34 0.420 -2.146 8.367 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.070 0.659 8.808 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.879 -0.979 8.417 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.403 -1.873 9.847 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.993 -0.859 12.181 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.336 1.386 8.909 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.656 0.829 13.102 1.00 0.00 H new ATOM 601 N GLN A 35 0.988 -1.266 11.278 1.00 0.00 N ATOM 602 CA GLN A 35 1.587 -1.247 12.610 1.00 0.00 C ATOM 603 C GLN A 35 3.050 -0.816 12.569 1.00 0.00 C ATOM 604 O GLN A 35 3.427 0.195 13.162 1.00 0.00 O ATOM 605 CB GLN A 35 1.467 -2.631 13.257 1.00 0.00 C ATOM 606 CG GLN A 35 0.661 -2.630 14.545 1.00 0.00 C ATOM 607 CD GLN A 35 -0.778 -3.060 14.332 1.00 0.00 C ATOM 608 OE1 GLN A 35 -1.223 -3.231 13.197 1.00 0.00 O ATOM 609 NE2 GLN A 35 -1.511 -3.238 15.424 1.00 0.00 N ATOM 0 H GLN A 35 0.908 -2.196 10.866 1.00 0.00 H new ATOM 0 HA GLN A 35 1.043 -0.515 13.207 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.003 -3.316 12.548 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.466 -3.015 13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.133 -3.298 15.265 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.677 -1.630 14.979 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.100 -3.085 16.345 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.485 -3.528 15.342 1.00 0.00 H new ATOM 618 N THR A 36 3.871 -1.602 11.886 1.00 0.00 N ATOM 619 CA THR A 36 5.301 -1.319 11.785 1.00 0.00 C ATOM 620 C THR A 36 5.578 -0.057 10.972 1.00 0.00 C ATOM 621 O THR A 36 6.549 0.654 11.233 1.00 0.00 O ATOM 622 CB THR A 36 6.036 -2.512 11.170 1.00 0.00 C ATOM 623 OG1 THR A 36 7.440 -2.317 11.221 1.00 0.00 O ATOM 624 CG2 THR A 36 5.665 -2.774 9.725 1.00 0.00 C ATOM 0 H THR A 36 3.573 -2.443 11.392 1.00 0.00 H new ATOM 0 HA THR A 36 5.671 -1.148 12.796 1.00 0.00 H new ATOM 0 HB THR A 36 5.730 -3.372 11.766 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.892 -3.091 10.825 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.225 -3.633 9.356 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.597 -2.979 9.655 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.906 -1.898 9.123 1.00 0.00 H new ATOM 632 N MET A 37 4.733 0.218 9.984 1.00 0.00 N ATOM 633 CA MET A 37 4.911 1.396 9.141 1.00 0.00 C ATOM 634 C MET A 37 6.266 1.358 8.439 1.00 0.00 C ATOM 635 O MET A 37 7.019 2.332 8.463 1.00 0.00 O ATOM 636 CB MET A 37 4.791 2.672 9.978 1.00 0.00 C ATOM 637 CG MET A 37 3.395 2.904 10.535 1.00 0.00 C ATOM 638 SD MET A 37 2.441 4.078 9.554 1.00 0.00 S ATOM 639 CE MET A 37 1.044 3.064 9.076 1.00 0.00 C ATOM 0 H MET A 37 3.923 -0.355 9.748 1.00 0.00 H new ATOM 0 HA MET A 37 4.127 1.394 8.383 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.500 2.623 10.805 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.076 3.527 9.365 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.862 1.954 10.576 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.473 3.271 11.558 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.689 3.374 8.093 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.349 2.018 9.038 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.242 3.182 9.805 1.00 0.00 H new ATOM 649 N ASP A 38 6.572 0.223 7.818 1.00 0.00 N ATOM 650 CA ASP A 38 7.839 0.054 7.115 1.00 0.00 C ATOM 651 C ASP A 38 7.610 -0.351 5.661 1.00 0.00 C ATOM 652 O ASP A 38 7.329 -1.512 5.365 1.00 0.00 O ATOM 653 CB ASP A 38 8.699 -0.994 7.821 1.00 0.00 C ATOM 654 CG ASP A 38 10.112 -1.044 7.278 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.302 -0.731 6.083 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.032 -1.397 8.047 1.00 0.00 O ATOM 0 H ASP A 38 5.960 -0.593 7.787 1.00 0.00 H new ATOM 0 HA ASP A 38 8.361 1.011 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.731 -0.775 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.236 -1.974 7.711 1.00 0.00 H new ATOM 661 N VAL A 39 7.733 0.617 4.760 1.00 0.00 N ATOM 662 CA VAL A 39 7.543 0.373 3.334 1.00 0.00 C ATOM 663 C VAL A 39 8.487 -0.709 2.823 1.00 0.00 C ATOM 664 O VAL A 39 8.167 -1.430 1.877 1.00 0.00 O ATOM 665 CB VAL A 39 7.768 1.651 2.502 1.00 0.00 C ATOM 666 CG1 VAL A 39 6.465 2.414 2.325 1.00 0.00 C ATOM 667 CG2 VAL A 39 8.835 2.539 3.129 1.00 0.00 C ATOM 0 H VAL A 39 7.965 1.583 4.993 1.00 0.00 H new ATOM 0 HA VAL A 39 6.511 0.043 3.216 1.00 0.00 H new ATOM 0 HB VAL A 39 8.125 1.349 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.647 3.312 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.741 1.782 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.072 2.695 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.970 3.432 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.523 2.829 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.776 1.992 3.185 1.00 0.00 H new ATOM 677 N ALA A 40 9.648 -0.819 3.455 1.00 0.00 N ATOM 678 CA ALA A 40 10.636 -1.811 3.068 1.00 0.00 C ATOM 679 C ALA A 40 10.122 -3.211 3.358 1.00 0.00 C ATOM 680 O ALA A 40 10.537 -4.181 2.725 1.00 0.00 O ATOM 681 CB ALA A 40 11.949 -1.564 3.797 1.00 0.00 C ATOM 0 H ALA A 40 9.927 -0.230 4.240 1.00 0.00 H new ATOM 0 HA ALA A 40 10.814 -1.724 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.679 -2.316 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.324 -0.572 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.785 -1.627 4.873 1.00 0.00 H new ATOM 687 N VAL A 41 9.209 -3.307 4.316 1.00 0.00 N ATOM 688 CA VAL A 41 8.635 -4.586 4.682 1.00 0.00 C ATOM 689 C VAL A 41 7.563 -4.999 3.679 1.00 0.00 C ATOM 690 O VAL A 41 7.501 -6.155 3.260 1.00 0.00 O ATOM 691 CB VAL A 41 8.034 -4.557 6.102 1.00 0.00 C ATOM 692 CG1 VAL A 41 7.371 -5.885 6.439 1.00 0.00 C ATOM 693 CG2 VAL A 41 9.108 -4.219 7.125 1.00 0.00 C ATOM 0 H VAL A 41 8.854 -2.514 4.850 1.00 0.00 H new ATOM 0 HA VAL A 41 9.443 -5.318 4.670 1.00 0.00 H new ATOM 0 HB VAL A 41 7.269 -3.781 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.955 -5.839 7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.572 -6.084 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.111 -6.684 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.668 -4.202 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.895 -4.972 7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.531 -3.240 6.899 1.00 0.00 H new ATOM 703 N LEU A 42 6.727 -4.042 3.290 1.00 0.00 N ATOM 704 CA LEU A 42 5.664 -4.299 2.329 1.00 0.00 C ATOM 705 C LEU A 42 6.237 -4.827 1.018 1.00 0.00 C ATOM 706 O LEU A 42 5.736 -5.800 0.459 1.00 0.00 O ATOM 707 CB LEU A 42 4.864 -3.018 2.075 1.00 0.00 C ATOM 708 CG LEU A 42 3.394 -3.082 2.483 1.00 0.00 C ATOM 709 CD1 LEU A 42 2.786 -1.689 2.506 1.00 0.00 C ATOM 710 CD2 LEU A 42 2.620 -3.989 1.537 1.00 0.00 C ATOM 0 H LEU A 42 6.766 -3.080 3.627 1.00 0.00 H new ATOM 0 HA LEU A 42 5.000 -5.057 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.339 -2.198 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.920 -2.777 1.013 1.00 0.00 H new ATOM 0 HG LEU A 42 3.332 -3.499 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.738 -1.754 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.325 -1.069 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.858 -1.244 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.574 -4.024 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.690 -3.600 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.041 -4.994 1.570 1.00 0.00 H new ATOM 722 N VAL A 43 7.291 -4.176 0.536 1.00 0.00 N ATOM 723 CA VAL A 43 7.936 -4.580 -0.709 1.00 0.00 C ATOM 724 C VAL A 43 8.403 -6.030 -0.643 1.00 0.00 C ATOM 725 O VAL A 43 8.207 -6.799 -1.585 1.00 0.00 O ATOM 726 CB VAL A 43 9.142 -3.677 -1.036 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.684 -3.992 -2.422 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.757 -2.209 -0.924 1.00 0.00 C ATOM 0 H VAL A 43 7.717 -3.367 0.988 1.00 0.00 H new ATOM 0 HA VAL A 43 7.191 -4.478 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 43 9.930 -3.877 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.535 -3.345 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.002 -5.034 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.904 -3.823 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.621 -1.587 -1.158 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.951 -1.990 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.422 -1.997 0.091 1.00 0.00 H new ATOM 738 N GLY A 44 9.020 -6.399 0.475 1.00 0.00 N ATOM 739 CA GLY A 44 9.505 -7.756 0.641 1.00 0.00 C ATOM 740 C GLY A 44 8.396 -8.785 0.536 1.00 0.00 C ATOM 741 O GLY A 44 8.458 -9.692 -0.294 1.00 0.00 O ATOM 0 H GLY A 44 9.193 -5.782 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.262 -7.963 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.992 -7.848 1.612 1.00 0.00 H new ATOM 745 N ASP A 45 7.379 -8.643 1.377 1.00 0.00 N ATOM 746 CA ASP A 45 6.251 -9.566 1.377 1.00 0.00 C ATOM 747 C ASP A 45 5.519 -9.527 0.039 1.00 0.00 C ATOM 748 O ASP A 45 5.247 -10.567 -0.563 1.00 0.00 O ATOM 749 CB ASP A 45 5.285 -9.224 2.511 1.00 0.00 C ATOM 750 CG ASP A 45 5.684 -9.865 3.826 1.00 0.00 C ATOM 751 OD1 ASP A 45 6.872 -10.218 3.976 1.00 0.00 O ATOM 752 OD2 ASP A 45 4.809 -10.012 4.705 1.00 0.00 O ATOM 0 H ASP A 45 7.312 -7.896 2.069 1.00 0.00 H new ATOM 0 HA ASP A 45 6.637 -10.574 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.244 -8.142 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.281 -9.552 2.240 1.00 0.00 H new ATOM 757 N LEU A 46 5.204 -8.319 -0.425 1.00 0.00 N ATOM 758 CA LEU A 46 4.503 -8.150 -1.693 1.00 0.00 C ATOM 759 C LEU A 46 5.198 -8.934 -2.802 1.00 0.00 C ATOM 760 O LEU A 46 4.548 -9.454 -3.706 1.00 0.00 O ATOM 761 CB LEU A 46 4.421 -6.668 -2.074 1.00 0.00 C ATOM 762 CG LEU A 46 3.174 -5.929 -1.574 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.140 -4.511 -2.128 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.906 -6.681 -1.959 1.00 0.00 C ATOM 0 H LEU A 46 5.423 -7.447 0.057 1.00 0.00 H new ATOM 0 HA LEU A 46 3.491 -8.537 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.304 -6.161 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.460 -6.587 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 46 3.222 -5.878 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.249 -3.999 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.028 -3.971 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.119 -4.546 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.035 -6.137 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.850 -6.768 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.925 -7.677 -1.515 1.00 0.00 H new ATOM 776 N LYS A 47 6.521 -9.025 -2.721 1.00 0.00 N ATOM 777 CA LYS A 47 7.295 -9.758 -3.716 1.00 0.00 C ATOM 778 C LYS A 47 7.058 -11.258 -3.570 1.00 0.00 C ATOM 779 O LYS A 47 6.738 -11.948 -4.541 1.00 0.00 O ATOM 780 CB LYS A 47 8.785 -9.445 -3.569 1.00 0.00 C ATOM 781 CG LYS A 47 9.205 -8.148 -4.242 1.00 0.00 C ATOM 782 CD LYS A 47 10.209 -7.376 -3.399 1.00 0.00 C ATOM 783 CE LYS A 47 11.563 -7.285 -4.084 1.00 0.00 C ATOM 784 NZ LYS A 47 12.661 -7.026 -3.114 1.00 0.00 N ATOM 0 H LYS A 47 7.078 -8.602 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 47 6.968 -9.445 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.033 -9.391 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.363 -10.267 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.641 -8.368 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.326 -7.529 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.829 -6.372 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.323 -7.863 -2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.762 -8.214 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.541 -6.488 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.567 -6.971 -3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.485 -6.127 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.700 -7.799 -2.419 1.00 0.00 H new ATOM 798 N LEU A 48 7.207 -11.753 -2.344 1.00 0.00 N ATOM 799 CA LEU A 48 7.001 -13.168 -2.059 1.00 0.00 C ATOM 800 C LEU A 48 5.638 -13.629 -2.566 1.00 0.00 C ATOM 801 O LEU A 48 5.443 -14.805 -2.873 1.00 0.00 O ATOM 802 CB LEU A 48 7.117 -13.429 -0.556 1.00 0.00 C ATOM 803 CG LEU A 48 8.522 -13.258 0.025 1.00 0.00 C ATOM 804 CD1 LEU A 48 8.459 -12.621 1.404 1.00 0.00 C ATOM 805 CD2 LEU A 48 9.237 -14.600 0.088 1.00 0.00 C ATOM 0 H LEU A 48 7.470 -11.194 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 48 7.773 -13.736 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.439 -12.755 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.777 -14.444 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 48 9.087 -12.595 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.469 -12.508 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.986 -11.641 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.877 -13.256 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.235 -14.461 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.672 -15.284 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.317 -15.017 -0.916 1.00 0.00 H new ATOM 817 N VAL A 49 4.701 -12.690 -2.657 1.00 0.00 N ATOM 818 CA VAL A 49 3.359 -12.993 -3.133 1.00 0.00 C ATOM 819 C VAL A 49 3.197 -12.567 -4.588 1.00 0.00 C ATOM 820 O VAL A 49 2.401 -13.141 -5.331 1.00 0.00 O ATOM 821 CB VAL A 49 2.286 -12.287 -2.281 1.00 0.00 C ATOM 822 CG1 VAL A 49 0.891 -12.735 -2.689 1.00 0.00 C ATOM 823 CG2 VAL A 49 2.525 -12.546 -0.800 1.00 0.00 C ATOM 0 H VAL A 49 4.848 -11.712 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 49 3.223 -14.071 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 49 2.360 -11.214 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.150 -12.224 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.723 -12.491 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.799 -13.812 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.758 -12.040 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.482 -13.618 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.507 -12.166 -0.518 1.00 0.00 H new ATOM 833 N ILE A 50 3.958 -11.553 -4.985 1.00 0.00 N ATOM 834 CA ILE A 50 3.904 -11.043 -6.349 1.00 0.00 C ATOM 835 C ILE A 50 5.122 -11.485 -7.155 1.00 0.00 C ATOM 836 O ILE A 50 5.507 -10.844 -8.133 1.00 0.00 O ATOM 837 CB ILE A 50 3.800 -9.504 -6.362 1.00 0.00 C ATOM 838 CG1 ILE A 50 2.593 -9.050 -5.542 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.699 -8.983 -7.786 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.649 -7.593 -5.143 1.00 0.00 C ATOM 0 H ILE A 50 4.620 -11.068 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 50 3.010 -11.460 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 50 4.704 -9.094 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.685 -9.226 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.523 -9.662 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.627 -7.896 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.586 -9.280 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.812 -9.399 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.761 -7.340 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.539 -7.415 -4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.687 -6.972 -6.038 1.00 0.00 H new ATOM 852 N ASN A 51 5.719 -12.594 -6.743 1.00 0.00 N ATOM 853 CA ASN A 51 6.890 -13.138 -7.428 1.00 0.00 C ATOM 854 C ASN A 51 6.664 -13.186 -8.939 1.00 0.00 C ATOM 855 O ASN A 51 7.612 -13.100 -9.721 1.00 0.00 O ATOM 856 CB ASN A 51 7.209 -14.539 -6.899 1.00 0.00 C ATOM 857 CG ASN A 51 8.515 -14.582 -6.128 1.00 0.00 C ATOM 858 OD1 ASN A 51 9.397 -15.499 -6.510 1.00 0.00 O flip ATOM 859 ND2 ASN A 51 8.728 -13.801 -5.201 1.00 0.00 N flip ATOM 0 H ASN A 51 5.413 -13.138 -5.936 1.00 0.00 H new ATOM 0 HA ASN A 51 7.737 -12.481 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.398 -14.874 -6.253 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.260 -15.237 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.022 -13.112 -4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.611 -13.842 -4.692 1.00 0.00 H new ATOM 866 N GLU A 52 5.402 -13.319 -9.342 1.00 0.00 N ATOM 867 CA GLU A 52 5.052 -13.373 -10.757 1.00 0.00 C ATOM 868 C GLU A 52 4.492 -12.031 -11.228 1.00 0.00 C ATOM 869 O GLU A 52 3.828 -11.326 -10.467 1.00 0.00 O ATOM 870 CB GLU A 52 4.028 -14.482 -11.010 1.00 0.00 C ATOM 871 CG GLU A 52 4.625 -15.880 -10.978 1.00 0.00 C ATOM 872 CD GLU A 52 3.838 -16.868 -11.816 1.00 0.00 C ATOM 873 OE1 GLU A 52 3.459 -16.513 -12.953 1.00 0.00 O ATOM 874 OE2 GLU A 52 3.602 -17.997 -11.339 1.00 0.00 O ATOM 0 H GLU A 52 4.606 -13.391 -8.708 1.00 0.00 H new ATOM 0 HA GLU A 52 5.958 -13.590 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.240 -14.415 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.559 -14.318 -11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.653 -15.841 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.662 -16.232 -9.947 1.00 0.00 H new ATOM 881 N PRO A 53 4.755 -11.655 -12.494 1.00 0.00 N ATOM 882 CA PRO A 53 4.275 -10.386 -13.058 1.00 0.00 C ATOM 883 C PRO A 53 2.755 -10.265 -13.019 1.00 0.00 C ATOM 884 O PRO A 53 2.211 -9.161 -12.991 1.00 0.00 O ATOM 885 CB PRO A 53 4.765 -10.426 -14.509 1.00 0.00 C ATOM 886 CG PRO A 53 5.883 -11.409 -14.515 1.00 0.00 C ATOM 887 CD PRO A 53 5.542 -12.429 -13.469 1.00 0.00 C ATOM 0 HA PRO A 53 4.644 -9.531 -12.491 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.967 -10.732 -15.186 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.103 -9.443 -14.838 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.988 -11.875 -15.495 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.832 -10.922 -14.291 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.968 -13.257 -13.885 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.436 -12.857 -13.016 1.00 0.00 H new ATOM 895 N SER A 54 2.073 -11.405 -13.023 1.00 0.00 N ATOM 896 CA SER A 54 0.612 -11.427 -12.996 1.00 0.00 C ATOM 897 C SER A 54 0.068 -10.647 -11.801 1.00 0.00 C ATOM 898 O SER A 54 -0.955 -9.970 -11.907 1.00 0.00 O ATOM 899 CB SER A 54 0.106 -12.869 -12.950 1.00 0.00 C ATOM 900 OG SER A 54 0.342 -13.533 -14.180 1.00 0.00 O ATOM 0 H SER A 54 2.507 -12.328 -13.045 1.00 0.00 H new ATOM 0 HA SER A 54 0.253 -10.948 -13.907 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.603 -13.406 -12.142 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.961 -12.876 -12.728 1.00 0.00 H new ATOM 0 HG SER A 54 0.011 -14.454 -14.124 1.00 0.00 H new ATOM 906 N ARG A 55 0.749 -10.754 -10.667 1.00 0.00 N ATOM 907 CA ARG A 55 0.326 -10.063 -9.451 1.00 0.00 C ATOM 908 C ARG A 55 0.911 -8.651 -9.368 1.00 0.00 C ATOM 909 O ARG A 55 0.959 -8.057 -8.292 1.00 0.00 O ATOM 910 CB ARG A 55 0.741 -10.870 -8.219 1.00 0.00 C ATOM 911 CG ARG A 55 -0.019 -12.179 -8.064 1.00 0.00 C ATOM 912 CD ARG A 55 0.908 -13.385 -8.137 1.00 0.00 C ATOM 913 NE ARG A 55 0.503 -14.323 -9.181 1.00 0.00 N ATOM 914 CZ ARG A 55 -0.484 -15.204 -9.044 1.00 0.00 C ATOM 915 NH1 ARG A 55 -1.173 -15.269 -7.911 1.00 0.00 N ATOM 916 NH2 ARG A 55 -0.785 -16.023 -10.043 1.00 0.00 N ATOM 0 H ARG A 55 1.596 -11.312 -10.562 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.760 -9.973 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.808 -11.084 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.586 -10.262 -7.328 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.545 -12.183 -7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.775 -12.255 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.927 -13.048 -8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.916 -13.895 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 55 1.007 -14.301 -10.068 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.947 -14.641 -7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.929 -15.947 -7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.260 -15.977 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.542 -16.699 -9.938 1.00 0.00 H new ATOM 930 N LEU A 56 1.355 -8.118 -10.502 1.00 0.00 N ATOM 931 CA LEU A 56 1.935 -6.779 -10.546 1.00 0.00 C ATOM 932 C LEU A 56 0.955 -5.719 -10.036 1.00 0.00 C ATOM 933 O LEU A 56 1.326 -4.857 -9.239 1.00 0.00 O ATOM 934 CB LEU A 56 2.369 -6.438 -11.973 1.00 0.00 C ATOM 935 CG LEU A 56 3.803 -6.836 -12.325 1.00 0.00 C ATOM 936 CD1 LEU A 56 3.964 -6.971 -13.831 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.788 -5.816 -11.771 1.00 0.00 C ATOM 0 H LEU A 56 1.324 -8.593 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 56 2.805 -6.777 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.690 -6.929 -12.670 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.259 -5.364 -12.123 1.00 0.00 H new ATOM 0 HG LEU A 56 4.015 -7.803 -11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.991 -7.255 -14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.283 -7.737 -14.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.734 -6.018 -14.308 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.804 -6.114 -12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.577 -4.836 -12.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.690 -5.767 -10.687 1.00 0.00 H new ATOM 949 N PRO A 57 -0.309 -5.755 -10.498 1.00 0.00 N ATOM 950 CA PRO A 57 -1.332 -4.784 -10.094 1.00 0.00 C ATOM 951 C PRO A 57 -1.334 -4.490 -8.593 1.00 0.00 C ATOM 952 O PRO A 57 -1.743 -3.411 -8.169 1.00 0.00 O ATOM 953 CB PRO A 57 -2.633 -5.465 -10.509 1.00 0.00 C ATOM 954 CG PRO A 57 -2.258 -6.276 -11.701 1.00 0.00 C ATOM 955 CD PRO A 57 -0.844 -6.738 -11.465 1.00 0.00 C ATOM 0 HA PRO A 57 -1.166 -3.811 -10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.027 -6.092 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.405 -4.735 -10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.930 -7.125 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.327 -5.683 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.816 -7.751 -11.063 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.266 -6.746 -12.389 1.00 0.00 H new ATOM 963 N LEU A 58 -0.881 -5.450 -7.792 1.00 0.00 N ATOM 964 CA LEU A 58 -0.844 -5.277 -6.341 1.00 0.00 C ATOM 965 C LEU A 58 -0.086 -4.009 -5.952 1.00 0.00 C ATOM 966 O LEU A 58 -0.424 -3.352 -4.967 1.00 0.00 O ATOM 967 CB LEU A 58 -0.203 -6.497 -5.672 1.00 0.00 C ATOM 968 CG LEU A 58 -1.151 -7.332 -4.810 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.419 -8.520 -4.206 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.771 -6.475 -3.717 1.00 0.00 C ATOM 0 H LEU A 58 -0.536 -6.352 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.872 -5.179 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.219 -7.137 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.626 -6.158 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.951 -7.710 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.110 -9.102 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.023 -9.148 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.402 -8.164 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.443 -7.085 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.983 -6.067 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.332 -5.658 -4.170 1.00 0.00 H new ATOM 982 N PHE A 59 0.937 -3.668 -6.727 1.00 0.00 N ATOM 983 CA PHE A 59 1.735 -2.478 -6.454 1.00 0.00 C ATOM 984 C PHE A 59 0.913 -1.209 -6.659 1.00 0.00 C ATOM 985 O PHE A 59 0.866 -0.337 -5.790 1.00 0.00 O ATOM 986 CB PHE A 59 2.971 -2.445 -7.357 1.00 0.00 C ATOM 987 CG PHE A 59 3.787 -3.705 -7.312 1.00 0.00 C ATOM 988 CD1 PHE A 59 4.054 -4.332 -6.105 1.00 0.00 C ATOM 989 CD2 PHE A 59 4.289 -4.263 -8.477 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.806 -5.491 -6.061 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.043 -5.420 -8.441 1.00 0.00 C ATOM 992 CZ PHE A 59 5.301 -6.036 -7.231 1.00 0.00 C ATOM 0 H PHE A 59 1.233 -4.197 -7.547 1.00 0.00 H new ATOM 0 HA PHE A 59 2.053 -2.521 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.654 -2.264 -8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.601 -1.605 -7.065 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.670 -3.910 -5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.088 -3.787 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.007 -5.970 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.430 -5.842 -9.357 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.888 -6.942 -7.200 1.00 0.00 H new ATOM 1002 N ASP A 60 0.259 -1.116 -7.813 1.00 0.00 N ATOM 1003 CA ASP A 60 -0.563 0.043 -8.134 1.00 0.00 C ATOM 1004 C ASP A 60 -1.872 0.003 -7.357 1.00 0.00 C ATOM 1005 O ASP A 60 -2.481 1.037 -7.097 1.00 0.00 O ATOM 1006 CB ASP A 60 -0.849 0.091 -9.636 1.00 0.00 C ATOM 1007 CG ASP A 60 0.169 0.921 -10.392 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -0.029 2.151 -10.498 1.00 0.00 O ATOM 1009 OD2 ASP A 60 1.164 0.344 -10.876 1.00 0.00 O ATOM 0 H ASP A 60 0.283 -1.830 -8.541 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.015 0.941 -7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.855 -0.924 -10.035 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.844 0.504 -9.801 1.00 0.00 H new ATOM 1014 N ALA A 61 -2.297 -1.199 -6.994 1.00 0.00 N ATOM 1015 CA ALA A 61 -3.529 -1.385 -6.245 1.00 0.00 C ATOM 1016 C ALA A 61 -3.415 -0.829 -4.826 1.00 0.00 C ATOM 1017 O ALA A 61 -4.294 -0.105 -4.358 1.00 0.00 O ATOM 1018 CB ALA A 61 -3.888 -2.862 -6.209 1.00 0.00 C ATOM 0 H ALA A 61 -1.802 -2.065 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.321 -0.831 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.812 -2.998 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.025 -3.228 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.085 -3.420 -5.728 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.335 -1.195 -4.141 1.00 0.00 N ATOM 1025 CA ILE A 62 -2.102 -0.761 -2.765 1.00 0.00 C ATOM 1026 C ILE A 62 -1.658 0.700 -2.676 1.00 0.00 C ATOM 1027 O ILE A 62 -1.995 1.400 -1.722 1.00 0.00 O ATOM 1028 CB ILE A 62 -1.052 -1.649 -2.069 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -1.369 -3.130 -2.289 1.00 0.00 C ATOM 1030 CG2 ILE A 62 -0.995 -1.335 -0.581 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.148 -4.023 -2.248 1.00 0.00 C ATOM 0 H ILE A 62 -1.602 -1.795 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.061 -0.858 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.077 -1.437 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.075 -3.459 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.863 -3.248 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.249 -1.970 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.724 -0.289 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.971 -1.521 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.448 -5.058 -2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.550 -3.720 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.335 -3.935 -1.275 1.00 0.00 H new ATOM 1043 N ARG A 63 -0.881 1.151 -3.654 1.00 0.00 N ATOM 1044 CA ARG A 63 -0.368 2.525 -3.665 1.00 0.00 C ATOM 1045 C ARG A 63 -1.436 3.554 -3.269 1.00 0.00 C ATOM 1046 O ARG A 63 -1.210 4.374 -2.378 1.00 0.00 O ATOM 1047 CB ARG A 63 0.189 2.864 -5.049 1.00 0.00 C ATOM 1048 CG ARG A 63 1.575 3.487 -5.010 1.00 0.00 C ATOM 1049 CD ARG A 63 2.140 3.692 -6.408 1.00 0.00 C ATOM 1050 NE ARG A 63 2.471 5.091 -6.667 1.00 0.00 N ATOM 1051 CZ ARG A 63 3.288 5.494 -7.637 1.00 0.00 C ATOM 1052 NH1 ARG A 63 3.859 4.608 -8.443 1.00 0.00 N ATOM 1053 NH2 ARG A 63 3.534 6.786 -7.803 1.00 0.00 N ATOM 0 H ARG A 63 -0.589 0.588 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 63 0.426 2.577 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.225 1.955 -5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.495 3.550 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.529 4.445 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.246 2.847 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.033 3.080 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.415 3.349 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 63 2.051 5.802 -6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.672 3.613 -8.321 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.484 4.922 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.097 7.472 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.160 7.094 -8.547 1.00 0.00 H new ATOM 1067 N PRO A 64 -2.606 3.542 -3.934 1.00 0.00 N ATOM 1068 CA PRO A 64 -3.691 4.489 -3.653 1.00 0.00 C ATOM 1069 C PRO A 64 -3.899 4.749 -2.162 1.00 0.00 C ATOM 1070 O PRO A 64 -3.892 5.899 -1.722 1.00 0.00 O ATOM 1071 CB PRO A 64 -4.907 3.788 -4.248 1.00 0.00 C ATOM 1072 CG PRO A 64 -4.365 3.007 -5.396 1.00 0.00 C ATOM 1073 CD PRO A 64 -2.954 2.619 -5.026 1.00 0.00 C ATOM 0 HA PRO A 64 -3.486 5.475 -4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.387 3.137 -3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.658 4.507 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.973 2.122 -5.584 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.376 3.602 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.897 1.579 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.275 2.727 -5.872 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.078 3.684 -1.387 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.281 3.824 0.052 1.00 0.00 C ATOM 1083 C LEU A 65 -2.972 4.178 0.754 1.00 0.00 C ATOM 1084 O LEU A 65 -2.975 4.776 1.832 1.00 0.00 O ATOM 1085 CB LEU A 65 -4.878 2.546 0.651 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.127 1.255 0.327 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.152 0.312 1.520 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.729 0.581 -0.899 1.00 0.00 C ATOM 0 H LEU A 65 -4.087 2.722 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.989 4.638 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.921 2.659 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.905 2.446 0.300 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.089 1.505 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.613 -0.602 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.676 0.794 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.185 0.068 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.182 -0.337 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.775 0.343 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.661 1.254 -1.754 1.00 0.00 H new ATOM 1100 N ILE A 66 -1.854 3.809 0.134 1.00 0.00 N ATOM 1101 CA ILE A 66 -0.538 4.091 0.693 1.00 0.00 C ATOM 1102 C ILE A 66 -0.259 5.596 0.694 1.00 0.00 C ATOM 1103 O ILE A 66 -0.476 6.271 -0.313 1.00 0.00 O ATOM 1104 CB ILE A 66 0.570 3.356 -0.105 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.519 1.855 0.179 1.00 0.00 C ATOM 1106 CG2 ILE A 66 1.952 3.913 0.222 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.572 1.063 -0.569 1.00 0.00 C ATOM 0 H ILE A 66 -1.835 3.313 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.531 3.729 1.721 1.00 0.00 H new ATOM 0 HB ILE A 66 0.387 3.522 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.644 1.691 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.467 1.476 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.706 3.376 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.987 4.972 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.152 3.789 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.477 0.006 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.434 1.197 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.563 1.415 -0.284 1.00 0.00 H new ATOM 1119 N PRO A 67 0.233 6.142 1.825 1.00 0.00 N ATOM 1120 CA PRO A 67 0.550 7.568 1.948 1.00 0.00 C ATOM 1121 C PRO A 67 1.190 8.145 0.708 1.00 0.00 C ATOM 1122 O PRO A 67 2.058 7.539 0.079 1.00 0.00 O ATOM 1123 CB PRO A 67 1.517 7.604 3.127 1.00 0.00 C ATOM 1124 CG PRO A 67 1.089 6.470 3.993 1.00 0.00 C ATOM 1125 CD PRO A 67 0.528 5.411 3.074 1.00 0.00 C ATOM 0 HA PRO A 67 -0.346 8.172 2.089 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.549 7.485 2.798 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.460 8.554 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.931 6.080 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.338 6.795 4.713 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.245 4.607 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.370 4.955 3.491 1.00 0.00 H new ATOM 1133 N LEU A 68 0.728 9.330 0.378 1.00 0.00 N ATOM 1134 CA LEU A 68 1.188 10.067 -0.772 1.00 0.00 C ATOM 1135 C LEU A 68 2.714 10.148 -0.817 1.00 0.00 C ATOM 1136 O LEU A 68 3.318 9.970 -1.875 1.00 0.00 O ATOM 1137 CB LEU A 68 0.580 11.453 -0.680 1.00 0.00 C ATOM 1138 CG LEU A 68 -0.601 11.696 -1.611 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -1.172 13.091 -1.400 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -0.189 11.498 -3.063 1.00 0.00 C ATOM 0 H LEU A 68 0.008 9.816 0.913 1.00 0.00 H new ATOM 0 HA LEU A 68 0.881 9.563 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.257 11.625 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.354 12.189 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.378 10.969 -1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.015 13.245 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.509 13.194 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.402 13.834 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.046 11.676 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.608 12.198 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.167 10.478 -3.204 1.00 0.00 H new ATOM 1152 N LYS A 69 3.331 10.403 0.330 1.00 0.00 N ATOM 1153 CA LYS A 69 4.786 10.487 0.400 1.00 0.00 C ATOM 1154 C LYS A 69 5.403 9.105 0.199 1.00 0.00 C ATOM 1155 O LYS A 69 6.373 8.942 -0.548 1.00 0.00 O ATOM 1156 CB LYS A 69 5.237 11.078 1.741 1.00 0.00 C ATOM 1157 CG LYS A 69 4.418 10.608 2.936 1.00 0.00 C ATOM 1158 CD LYS A 69 3.477 11.694 3.428 1.00 0.00 C ATOM 1159 CE LYS A 69 4.097 12.500 4.558 1.00 0.00 C ATOM 1160 NZ LYS A 69 4.584 11.629 5.662 1.00 0.00 N ATOM 0 H LYS A 69 2.852 10.554 1.218 1.00 0.00 H new ATOM 0 HA LYS A 69 5.128 11.148 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.283 10.819 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.184 12.165 1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.843 9.725 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.088 10.312 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.224 12.359 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.546 11.242 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.927 13.091 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.361 13.203 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.521 12.143 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.999 10.771 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.574 11.363 5.484 1.00 0.00 H new ATOM 1174 N HIS A 70 4.822 8.109 0.860 1.00 0.00 N ATOM 1175 CA HIS A 70 5.301 6.740 0.745 1.00 0.00 C ATOM 1176 C HIS A 70 5.060 6.208 -0.662 1.00 0.00 C ATOM 1177 O HIS A 70 5.767 5.315 -1.122 1.00 0.00 O ATOM 1178 CB HIS A 70 4.615 5.842 1.775 1.00 0.00 C ATOM 1179 CG HIS A 70 5.210 5.951 3.146 1.00 0.00 C ATOM 1180 ND1 HIS A 70 5.370 4.871 3.987 1.00 0.00 N ATOM 1181 CD2 HIS A 70 5.690 7.024 3.819 1.00 0.00 C ATOM 1182 CE1 HIS A 70 5.920 5.274 5.118 1.00 0.00 C ATOM 1183 NE2 HIS A 70 6.124 6.576 5.043 1.00 0.00 N ATOM 0 H HIS A 70 4.020 8.226 1.479 1.00 0.00 H new ATOM 0 HA HIS A 70 6.373 6.735 0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.557 6.100 1.824 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.676 4.806 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.725 8.042 3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.162 4.645 5.962 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.537 7.155 5.774 1.00 0.00 H new ATOM 1192 N GLN A 71 4.063 6.768 -1.346 1.00 0.00 N ATOM 1193 CA GLN A 71 3.746 6.352 -2.707 1.00 0.00 C ATOM 1194 C GLN A 71 4.942 6.598 -3.617 1.00 0.00 C ATOM 1195 O GLN A 71 5.388 5.702 -4.337 1.00 0.00 O ATOM 1196 CB GLN A 71 2.526 7.110 -3.232 1.00 0.00 C ATOM 1197 CG GLN A 71 1.204 6.569 -2.717 1.00 0.00 C ATOM 1198 CD GLN A 71 0.068 6.770 -3.701 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -0.084 6.008 -4.656 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -0.738 7.800 -3.472 1.00 0.00 N ATOM 0 H GLN A 71 3.464 7.508 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 71 3.514 5.287 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.613 8.160 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.525 7.070 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.310 5.506 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.956 7.061 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.575 8.406 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.520 7.985 -4.100 1.00 0.00 H new ATOM 1209 N VAL A 72 5.471 7.816 -3.565 1.00 0.00 N ATOM 1210 CA VAL A 72 6.629 8.177 -4.370 1.00 0.00 C ATOM 1211 C VAL A 72 7.813 7.299 -3.998 1.00 0.00 C ATOM 1212 O VAL A 72 8.423 6.663 -4.857 1.00 0.00 O ATOM 1213 CB VAL A 72 7.028 9.649 -4.173 1.00 0.00 C ATOM 1214 CG1 VAL A 72 7.963 10.102 -5.285 1.00 0.00 C ATOM 1215 CG2 VAL A 72 5.798 10.543 -4.104 1.00 0.00 C ATOM 0 H VAL A 72 5.116 8.568 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 72 6.355 8.028 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 72 7.557 9.733 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.235 11.146 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.863 9.487 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.462 9.997 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.108 11.579 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.232 10.456 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.172 10.236 -3.267 1.00 0.00 H new ATOM 1225 N GLU A 73 8.125 7.255 -2.702 1.00 0.00 N ATOM 1226 CA GLU A 73 9.230 6.435 -2.221 1.00 0.00 C ATOM 1227 C GLU A 73 9.000 4.984 -2.608 1.00 0.00 C ATOM 1228 O GLU A 73 9.938 4.257 -2.930 1.00 0.00 O ATOM 1229 CB GLU A 73 9.378 6.564 -0.704 1.00 0.00 C ATOM 1230 CG GLU A 73 10.737 6.123 -0.185 1.00 0.00 C ATOM 1231 CD GLU A 73 10.897 4.614 -0.182 1.00 0.00 C ATOM 1232 OE1 GLU A 73 9.869 3.908 -0.124 1.00 0.00 O ATOM 1233 OE2 GLU A 73 12.052 4.140 -0.241 1.00 0.00 O ATOM 0 H GLU A 73 7.632 7.773 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 73 10.153 6.785 -2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.209 7.602 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.603 5.969 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.519 6.567 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.876 6.502 0.828 1.00 0.00 H new ATOM 1240 N TYR A 74 7.734 4.580 -2.610 1.00 0.00 N ATOM 1241 CA TYR A 74 7.371 3.227 -2.999 1.00 0.00 C ATOM 1242 C TYR A 74 7.791 3.004 -4.444 1.00 0.00 C ATOM 1243 O TYR A 74 8.195 1.907 -4.828 1.00 0.00 O ATOM 1244 CB TYR A 74 5.864 3.008 -2.843 1.00 0.00 C ATOM 1245 CG TYR A 74 5.424 1.579 -3.070 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.411 0.662 -2.027 1.00 0.00 C ATOM 1247 CD2 TYR A 74 5.016 1.149 -4.326 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.002 -0.643 -2.227 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.606 -0.154 -4.536 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.601 -1.045 -3.484 1.00 0.00 C ATOM 1251 OH TYR A 74 4.191 -2.343 -3.688 1.00 0.00 O ATOM 0 H TYR A 74 6.945 5.171 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 74 7.882 2.513 -2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 74 5.564 3.315 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 74 5.338 3.655 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.726 0.974 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.019 1.844 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.996 -1.343 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.291 -0.472 -5.519 1.00 0.00 H new ATOM 0 HH TYR A 74 4.521 -2.658 -4.555 1.00 0.00 H new ATOM 1261 N ASP A 75 7.712 4.075 -5.234 1.00 0.00 N ATOM 1262 CA ASP A 75 8.105 4.023 -6.633 1.00 0.00 C ATOM 1263 C ASP A 75 9.622 3.952 -6.753 1.00 0.00 C ATOM 1264 O ASP A 75 10.155 3.276 -7.635 1.00 0.00 O ATOM 1265 CB ASP A 75 7.574 5.246 -7.382 1.00 0.00 C ATOM 1266 CG ASP A 75 7.794 5.148 -8.879 1.00 0.00 C ATOM 1267 OD1 ASP A 75 8.876 4.679 -9.291 1.00 0.00 O ATOM 1268 OD2 ASP A 75 6.883 5.538 -9.639 1.00 0.00 O ATOM 0 H ASP A 75 7.378 4.988 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 75 7.675 3.127 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.509 5.357 -7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.065 6.142 -7.003 1.00 0.00 H new ATOM 1273 N GLN A 76 10.317 4.655 -5.859 1.00 0.00 N ATOM 1274 CA GLN A 76 11.774 4.670 -5.865 1.00 0.00 C ATOM 1275 C GLN A 76 12.334 3.290 -5.531 1.00 0.00 C ATOM 1276 O GLN A 76 13.398 2.908 -6.019 1.00 0.00 O ATOM 1277 CB GLN A 76 12.299 5.701 -4.864 1.00 0.00 C ATOM 1278 CG GLN A 76 11.929 7.133 -5.216 1.00 0.00 C ATOM 1279 CD GLN A 76 13.071 7.887 -5.867 1.00 0.00 C ATOM 1280 OE1 GLN A 76 13.963 7.288 -6.470 1.00 0.00 O ATOM 1281 NE2 GLN A 76 13.051 9.209 -5.750 1.00 0.00 N ATOM 0 H GLN A 76 9.892 5.220 -5.123 1.00 0.00 H new ATOM 0 HA GLN A 76 12.105 4.945 -6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 76 11.908 5.466 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.384 5.619 -4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.072 7.128 -5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.621 7.658 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.293 9.665 -5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.794 9.769 -6.168 1.00 0.00 H new ATOM 1290 N LEU A 77 11.612 2.551 -4.695 1.00 0.00 N ATOM 1291 CA LEU A 77 12.038 1.214 -4.295 1.00 0.00 C ATOM 1292 C LEU A 77 11.726 0.192 -5.383 1.00 0.00 C ATOM 1293 O LEU A 77 12.504 -0.731 -5.621 1.00 0.00 O ATOM 1294 CB LEU A 77 11.353 0.809 -2.987 1.00 0.00 C ATOM 1295 CG LEU A 77 11.973 1.400 -1.721 1.00 0.00 C ATOM 1296 CD1 LEU A 77 11.012 1.276 -0.549 1.00 0.00 C ATOM 1297 CD2 LEU A 77 13.295 0.716 -1.407 1.00 0.00 C ATOM 0 H LEU A 77 10.730 2.854 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 77 13.117 1.235 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.306 1.109 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.369 -0.278 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 77 12.167 2.459 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.470 1.702 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.091 1.813 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.785 0.224 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.723 1.149 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.126 -0.350 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.985 0.858 -2.239 1.00 0.00 H new ATOM 1398 N ARG B 103 -5.863 7.322 5.792 1.00 0.00 N ATOM 1399 CA ARG B 103 -7.310 7.233 5.960 1.00 0.00 C ATOM 1400 C ARG B 103 -7.875 6.040 5.194 1.00 0.00 C ATOM 1401 O ARG B 103 -8.692 5.284 5.719 1.00 0.00 O ATOM 1402 CB ARG B 103 -7.980 8.523 5.484 1.00 0.00 C ATOM 1403 CG ARG B 103 -9.450 8.619 5.861 1.00 0.00 C ATOM 1404 CD ARG B 103 -9.650 9.450 7.118 1.00 0.00 C ATOM 1405 NE ARG B 103 -11.013 9.344 7.632 1.00 0.00 N ATOM 1406 CZ ARG B 103 -11.366 9.672 8.873 1.00 0.00 C ATOM 1407 NH1 ARG B 103 -10.458 10.124 9.732 1.00 0.00 N ATOM 1408 NH2 ARG B 103 -12.627 9.546 9.259 1.00 0.00 N ATOM 0 HA ARG B 103 -7.519 7.093 7.020 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -7.449 9.376 5.906 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -7.886 8.593 4.400 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -10.010 9.063 5.038 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -9.853 7.618 6.017 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -8.947 9.123 7.884 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -9.424 10.494 6.902 1.00 0.00 H new ATOM 0 HE ARG B 103 -11.737 8.998 7.003 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -9.485 10.221 9.442 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -10.734 10.374 10.682 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -13.328 9.197 8.605 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -12.897 9.797 10.210 1.00 0.00 H new ATOM 1422 N TYR B 104 -7.434 5.879 3.950 1.00 0.00 N ATOM 1423 CA TYR B 104 -7.899 4.779 3.112 1.00 0.00 C ATOM 1424 C TYR B 104 -7.304 3.452 3.572 1.00 0.00 C ATOM 1425 O TYR B 104 -7.933 2.401 3.438 1.00 0.00 O ATOM 1426 CB TYR B 104 -7.533 5.040 1.650 1.00 0.00 C ATOM 1427 CG TYR B 104 -8.281 6.202 1.035 1.00 0.00 C ATOM 1428 CD1 TYR B 104 -7.895 7.511 1.288 1.00 0.00 C ATOM 1429 CD2 TYR B 104 -9.373 5.988 0.204 1.00 0.00 C ATOM 1430 CE1 TYR B 104 -8.576 8.577 0.729 1.00 0.00 C ATOM 1431 CE2 TYR B 104 -10.058 7.048 -0.359 1.00 0.00 C ATOM 1432 CZ TYR B 104 -9.657 8.339 -0.093 1.00 0.00 C ATOM 1433 OH TYR B 104 -10.336 9.396 -0.653 1.00 0.00 O ATOM 0 H TYR B 104 -6.757 6.495 3.501 1.00 0.00 H new ATOM 0 HA TYR B 104 -8.983 4.717 3.203 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -6.462 5.231 1.581 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -7.734 4.141 1.068 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -7.049 7.700 1.932 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -9.692 4.978 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -8.263 9.590 0.935 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -10.904 6.865 -1.005 1.00 0.00 H new ATOM 0 HH TYR B 104 -11.070 9.057 -1.206 1.00 0.00 H new ATOM 1443 N LEU B 105 -6.092 3.503 4.116 1.00 0.00 N ATOM 1444 CA LEU B 105 -5.419 2.301 4.595 1.00 0.00 C ATOM 1445 C LEU B 105 -6.240 1.622 5.686 1.00 0.00 C ATOM 1446 O LEU B 105 -6.527 0.427 5.608 1.00 0.00 O ATOM 1447 CB LEU B 105 -4.026 2.646 5.126 1.00 0.00 C ATOM 1448 CG LEU B 105 -2.966 1.562 4.917 1.00 0.00 C ATOM 1449 CD1 LEU B 105 -2.124 1.869 3.690 1.00 0.00 C ATOM 1450 CD2 LEU B 105 -2.083 1.432 6.151 1.00 0.00 C ATOM 0 H LEU B 105 -5.557 4.363 4.236 1.00 0.00 H new ATOM 0 HA LEU B 105 -5.317 1.611 3.757 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -3.687 3.562 4.643 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -4.102 2.857 6.193 1.00 0.00 H new ATOM 0 HG LEU B 105 -3.475 0.611 4.756 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.376 1.088 3.557 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.765 1.910 2.810 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.626 2.830 3.822 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.336 0.657 5.983 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.584 2.382 6.343 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -2.697 1.165 7.011 1.00 0.00 H new ATOM 1462 N ARG B 106 -6.618 2.391 6.702 1.00 0.00 N ATOM 1463 CA ARG B 106 -7.411 1.867 7.806 1.00 0.00 C ATOM 1464 C ARG B 106 -8.775 1.398 7.314 1.00 0.00 C ATOM 1465 O ARG B 106 -9.350 0.452 7.851 1.00 0.00 O ATOM 1466 CB ARG B 106 -7.581 2.931 8.892 1.00 0.00 C ATOM 1467 CG ARG B 106 -6.637 2.752 10.070 1.00 0.00 C ATOM 1468 CD ARG B 106 -6.928 3.752 11.179 1.00 0.00 C ATOM 1469 NE ARG B 106 -7.707 3.155 12.263 1.00 0.00 N ATOM 1470 CZ ARG B 106 -9.039 3.136 12.302 1.00 0.00 C ATOM 1471 NH1 ARG B 106 -9.750 3.694 11.330 1.00 0.00 N ATOM 1472 NH2 ARG B 106 -9.661 2.562 13.322 1.00 0.00 N ATOM 0 H ARG B 106 -6.387 3.381 6.783 1.00 0.00 H new ATOM 0 HA ARG B 106 -6.883 1.013 8.230 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -7.419 3.916 8.453 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.609 2.908 9.254 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.729 1.738 10.460 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -5.607 2.871 9.733 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -5.989 4.136 11.576 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -7.472 4.602 10.767 1.00 0.00 H new ATOM 0 HE ARG B 106 -7.200 2.727 13.037 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -9.277 4.142 10.545 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -10.769 3.675 11.368 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -9.120 2.136 14.075 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -10.680 2.546 13.354 1.00 0.00 H new ATOM 1486 N GLU B 107 -9.292 2.068 6.288 1.00 0.00 N ATOM 1487 CA GLU B 107 -10.590 1.717 5.722 1.00 0.00 C ATOM 1488 C GLU B 107 -10.603 0.263 5.258 1.00 0.00 C ATOM 1489 O GLU B 107 -11.427 -0.533 5.709 1.00 0.00 O ATOM 1490 CB GLU B 107 -10.925 2.644 4.550 1.00 0.00 C ATOM 1491 CG GLU B 107 -11.770 3.845 4.947 1.00 0.00 C ATOM 1492 CD GLU B 107 -13.054 3.447 5.646 1.00 0.00 C ATOM 1493 OE1 GLU B 107 -13.957 2.912 4.969 1.00 0.00 O ATOM 1494 OE2 GLU B 107 -13.158 3.672 6.870 1.00 0.00 O ATOM 0 H GLU B 107 -8.832 2.856 5.832 1.00 0.00 H new ATOM 0 HA GLU B 107 -11.345 1.839 6.499 1.00 0.00 H new ATOM 0 HB2 GLU B 107 -9.997 2.996 4.099 1.00 0.00 H new ATOM 0 HB3 GLU B 107 -11.454 2.074 3.786 1.00 0.00 H new ATOM 0 HG2 GLU B 107 -11.189 4.493 5.603 1.00 0.00 H new ATOM 0 HG3 GLU B 107 -12.010 4.426 4.057 1.00 0.00 H new ATOM 1501 N ALA B 108 -9.685 -0.076 4.360 1.00 0.00 N ATOM 1502 CA ALA B 108 -9.590 -1.435 3.840 1.00 0.00 C ATOM 1503 C ALA B 108 -9.026 -2.384 4.893 1.00 0.00 C ATOM 1504 O ALA B 108 -9.507 -3.506 5.054 1.00 0.00 O ATOM 1505 CB ALA B 108 -8.727 -1.461 2.586 1.00 0.00 C ATOM 0 H ALA B 108 -8.996 0.571 3.977 1.00 0.00 H new ATOM 0 HA ALA B 108 -10.594 -1.772 3.583 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -8.665 -2.482 2.208 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -9.171 -0.819 1.825 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -7.726 -1.101 2.825 1.00 0.00 H new ATOM 1511 N ILE B 109 -8.003 -1.924 5.606 1.00 0.00 N ATOM 1512 CA ILE B 109 -7.369 -2.727 6.646 1.00 0.00 C ATOM 1513 C ILE B 109 -8.391 -3.169 7.694 1.00 0.00 C ATOM 1514 O ILE B 109 -8.543 -4.362 7.966 1.00 0.00 O ATOM 1515 CB ILE B 109 -6.225 -1.940 7.328 1.00 0.00 C ATOM 1516 CG1 ILE B 109 -5.022 -1.834 6.389 1.00 0.00 C ATOM 1517 CG2 ILE B 109 -5.811 -2.594 8.641 1.00 0.00 C ATOM 1518 CD1 ILE B 109 -3.933 -0.920 6.904 1.00 0.00 C ATOM 0 H ILE B 109 -7.595 -0.998 5.482 1.00 0.00 H new ATOM 0 HA ILE B 109 -6.950 -3.614 6.170 1.00 0.00 H new ATOM 0 HB ILE B 109 -6.592 -0.938 7.551 1.00 0.00 H new ATOM 0 HG12 ILE B 109 -4.606 -2.829 6.231 1.00 0.00 H new ATOM 0 HG13 ILE B 109 -5.360 -1.472 5.418 1.00 0.00 H new ATOM 0 HG21 ILE B 109 -5.005 -2.018 9.096 1.00 0.00 H new ATOM 0 HG22 ILE B 109 -6.665 -2.622 9.318 1.00 0.00 H new ATOM 0 HG23 ILE B 109 -5.467 -3.610 8.449 1.00 0.00 H new ATOM 0 HD11 ILE B 109 -3.112 -0.893 6.188 1.00 0.00 H new ATOM 0 HD12 ILE B 109 -4.334 0.085 7.035 1.00 0.00 H new ATOM 0 HD13 ILE B 109 -3.568 -1.293 7.861 1.00 0.00 H new ATOM 1530 N GLN B 110 -9.088 -2.203 8.280 1.00 0.00 N ATOM 1531 CA GLN B 110 -10.091 -2.498 9.294 1.00 0.00 C ATOM 1532 C GLN B 110 -11.258 -3.267 8.692 1.00 0.00 C ATOM 1533 O GLN B 110 -11.867 -4.107 9.355 1.00 0.00 O ATOM 1534 CB GLN B 110 -10.589 -1.209 9.948 1.00 0.00 C ATOM 1535 CG GLN B 110 -10.944 -1.371 11.418 1.00 0.00 C ATOM 1536 CD GLN B 110 -12.062 -0.446 11.853 1.00 0.00 C ATOM 1537 OE1 GLN B 110 -11.997 0.767 11.653 1.00 0.00 O ATOM 1538 NE2 GLN B 110 -13.100 -1.015 12.456 1.00 0.00 N ATOM 0 H GLN B 110 -8.977 -1.211 8.071 1.00 0.00 H new ATOM 0 HA GLN B 110 -9.626 -3.120 10.059 1.00 0.00 H new ATOM 0 HB2 GLN B 110 -9.821 -0.442 9.851 1.00 0.00 H new ATOM 0 HB3 GLN B 110 -11.466 -0.853 9.408 1.00 0.00 H new ATOM 0 HG2 GLN B 110 -11.238 -2.404 11.605 1.00 0.00 H new ATOM 0 HG3 GLN B 110 -10.060 -1.177 12.025 1.00 0.00 H new ATOM 0 HE21 GLN B 110 -13.114 -2.024 12.602 1.00 0.00 H new ATOM 0 HE22 GLN B 110 -13.883 -0.443 12.773 1.00 0.00 H new ATOM 1547 N GLU B 111 -11.561 -2.989 7.426 1.00 0.00 N ATOM 1548 CA GLU B 111 -12.651 -3.677 6.743 1.00 0.00 C ATOM 1549 C GLU B 111 -12.441 -5.182 6.820 1.00 0.00 C ATOM 1550 O GLU B 111 -13.367 -5.941 7.105 1.00 0.00 O ATOM 1551 CB GLU B 111 -12.744 -3.229 5.285 1.00 0.00 C ATOM 1552 CG GLU B 111 -13.877 -3.889 4.517 1.00 0.00 C ATOM 1553 CD GLU B 111 -15.096 -2.997 4.398 1.00 0.00 C ATOM 1554 OE1 GLU B 111 -14.929 -1.759 4.394 1.00 0.00 O ATOM 1555 OE2 GLU B 111 -16.220 -3.536 4.308 1.00 0.00 O ATOM 0 H GLU B 111 -11.071 -2.298 6.857 1.00 0.00 H new ATOM 0 HA GLU B 111 -13.588 -3.422 7.238 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -12.877 -2.148 5.254 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -11.801 -3.449 4.785 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -13.528 -4.156 3.520 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -14.157 -4.817 5.016 1.00 0.00 H new ATOM 1562 N TYR B 112 -11.204 -5.600 6.590 1.00 0.00 N ATOM 1563 CA TYR B 112 -10.857 -7.011 6.659 1.00 0.00 C ATOM 1564 C TYR B 112 -10.871 -7.463 8.109 1.00 0.00 C ATOM 1565 O TYR B 112 -11.258 -8.589 8.417 1.00 0.00 O ATOM 1566 CB TYR B 112 -9.484 -7.262 6.036 1.00 0.00 C ATOM 1567 CG TYR B 112 -9.155 -8.728 5.860 1.00 0.00 C ATOM 1568 CD1 TYR B 112 -9.909 -9.533 5.016 1.00 0.00 C ATOM 1569 CD2 TYR B 112 -8.091 -9.306 6.539 1.00 0.00 C ATOM 1570 CE1 TYR B 112 -9.612 -10.872 4.853 1.00 0.00 C ATOM 1571 CE2 TYR B 112 -7.786 -10.645 6.381 1.00 0.00 C ATOM 1572 CZ TYR B 112 -8.549 -11.424 5.537 1.00 0.00 C ATOM 1573 OH TYR B 112 -8.249 -12.757 5.377 1.00 0.00 O ATOM 0 H TYR B 112 -10.426 -4.983 6.355 1.00 0.00 H new ATOM 0 HA TYR B 112 -11.592 -7.585 6.095 1.00 0.00 H new ATOM 0 HB2 TYR B 112 -9.440 -6.770 5.064 1.00 0.00 H new ATOM 0 HB3 TYR B 112 -8.721 -6.800 6.662 1.00 0.00 H new ATOM 0 HD1 TYR B 112 -10.742 -9.105 4.478 1.00 0.00 H new ATOM 0 HD2 TYR B 112 -7.492 -8.699 7.202 1.00 0.00 H new ATOM 0 HE1 TYR B 112 -10.209 -11.484 4.193 1.00 0.00 H new ATOM 0 HE2 TYR B 112 -6.954 -11.079 6.916 1.00 0.00 H new ATOM 0 HH TYR B 112 -7.472 -12.986 5.928 1.00 0.00 H new ATOM 1583 N ASP B 113 -10.469 -6.561 9.004 1.00 0.00 N ATOM 1584 CA ASP B 113 -10.464 -6.863 10.426 1.00 0.00 C ATOM 1585 C ASP B 113 -11.876 -7.212 10.884 1.00 0.00 C ATOM 1586 O ASP B 113 -12.066 -7.998 11.812 1.00 0.00 O ATOM 1587 CB ASP B 113 -9.932 -5.671 11.225 1.00 0.00 C ATOM 1588 CG ASP B 113 -9.334 -6.087 12.554 1.00 0.00 C ATOM 1589 OD1 ASP B 113 -8.644 -7.127 12.596 1.00 0.00 O ATOM 1590 OD2 ASP B 113 -9.555 -5.372 13.555 1.00 0.00 O ATOM 0 H ASP B 113 -10.146 -5.623 8.767 1.00 0.00 H new ATOM 0 HA ASP B 113 -9.809 -7.716 10.601 1.00 0.00 H new ATOM 0 HB2 ASP B 113 -9.176 -5.151 10.637 1.00 0.00 H new ATOM 0 HB3 ASP B 113 -10.742 -4.963 11.400 1.00 0.00 H new ATOM 1595 N ASN B 114 -12.865 -6.627 10.211 1.00 0.00 N ATOM 1596 CA ASN B 114 -14.263 -6.877 10.530 1.00 0.00 C ATOM 1597 C ASN B 114 -14.740 -8.170 9.878 1.00 0.00 C ATOM 1598 O ASN B 114 -15.541 -8.908 10.451 1.00 0.00 O ATOM 1599 CB ASN B 114 -15.133 -5.708 10.064 1.00 0.00 C ATOM 1600 CG ASN B 114 -14.805 -4.417 10.789 1.00 0.00 C ATOM 1601 OD1 ASN B 114 -14.217 -3.502 10.214 1.00 0.00 O ATOM 1602 ND2 ASN B 114 -15.185 -4.338 12.059 1.00 0.00 N ATOM 0 H ASN B 114 -12.720 -5.975 9.440 1.00 0.00 H new ATOM 0 HA ASN B 114 -14.353 -6.977 11.612 1.00 0.00 H new ATOM 0 HB2 ASN B 114 -14.999 -5.564 8.992 1.00 0.00 H new ATOM 0 HB3 ASN B 114 -16.183 -5.954 10.223 1.00 0.00 H new ATOM 0 HD21 ASN B 114 -14.991 -3.494 12.598 1.00 0.00 H new ATOM 0 HD22 ASN B 114 -15.670 -5.122 12.496 1.00 0.00 H new ATOM 1609 N ILE B 115 -14.241 -8.440 8.673 1.00 0.00 N ATOM 1610 CA ILE B 115 -14.618 -9.644 7.946 1.00 0.00 C ATOM 1611 C ILE B 115 -14.084 -10.895 8.641 1.00 0.00 C ATOM 1612 O ILE B 115 -14.742 -11.935 8.659 1.00 0.00 O ATOM 1613 CB ILE B 115 -14.099 -9.605 6.494 1.00 0.00 C ATOM 1614 CG1 ILE B 115 -14.616 -8.354 5.782 1.00 0.00 C ATOM 1615 CG2 ILE B 115 -14.520 -10.859 5.741 1.00 0.00 C ATOM 1616 CD1 ILE B 115 -13.667 -7.823 4.729 1.00 0.00 C ATOM 0 H ILE B 115 -13.576 -7.841 8.183 1.00 0.00 H new ATOM 0 HA ILE B 115 -15.707 -9.682 7.931 1.00 0.00 H new ATOM 0 HB ILE B 115 -13.010 -9.569 6.516 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -15.574 -8.581 5.315 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -14.799 -7.574 6.521 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -14.145 -10.813 4.719 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -14.110 -11.737 6.239 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -15.608 -10.926 5.725 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -14.098 -6.936 4.265 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -12.716 -7.564 5.194 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -13.503 -8.587 3.969 1.00 0.00 H new