USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 718 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 0 SER OG : rot 180:sc= -0.0206 USER MOD Set 1.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.202 (180deg=-1.33!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.861 USER MOD Single : A 18 SER OG : rot 180:sc= 0.187 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.33) USER MOD Single : A 32 CYS SG : rot 180:sc= 0.00129 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 35 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 37 TYR OH : rot -63:sc= 0.0784 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -122:sc= -0.0251 (180deg=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -1.31 (180deg=-4.45!) USER MOD Single : A 58 HIS : no HD1:sc= 0.0993 K(o=0.099,f=-3.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -136:sc= -2.36 (180deg=-5.64!) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.145) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= -0.865 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -156:sc= -0.493 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 10.622 -12.767 -45.468 1.00 0.00 N ATOM 2 CA GLY A -8 10.847 -11.898 -44.198 1.00 0.00 C ATOM 3 C GLY A -8 10.218 -10.578 -44.093 1.00 0.00 C ATOM 4 O GLY A -8 10.732 -9.687 -43.441 1.00 0.00 O ATOM 0 H1 GLY A -8 11.139 -13.664 -45.371 1.00 0.00 H new ATOM 0 H2 GLY A -8 9.607 -12.963 -45.579 1.00 0.00 H new ATOM 0 H3 GLY A -8 10.970 -12.256 -46.304 1.00 0.00 H new ATOM 0 HA2 GLY A -8 10.516 -12.484 -43.341 1.00 0.00 H new ATOM 0 HA3 GLY A -8 11.922 -11.755 -44.089 1.00 0.00 H new ATOM 10 N SER A -7 9.082 -10.397 -44.727 1.00 0.00 N ATOM 11 CA SER A -7 8.385 -9.076 -44.661 1.00 0.00 C ATOM 12 C SER A -7 6.954 -9.277 -44.161 1.00 0.00 C ATOM 13 O SER A -7 6.052 -8.544 -44.523 1.00 0.00 O ATOM 14 CB SER A -7 8.351 -8.448 -46.055 1.00 0.00 C ATOM 15 OG SER A -7 9.629 -8.587 -46.664 1.00 0.00 O ATOM 0 H SER A -7 8.610 -11.108 -45.286 1.00 0.00 H new ATOM 0 HA SER A -7 8.920 -8.418 -43.977 1.00 0.00 H new ATOM 0 HB2 SER A -7 7.589 -8.932 -46.666 1.00 0.00 H new ATOM 0 HB3 SER A -7 8.081 -7.394 -45.985 1.00 0.00 H new ATOM 0 HG SER A -7 9.610 -8.187 -47.558 1.00 0.00 H new ATOM 21 N ARG A -6 6.741 -10.266 -43.328 1.00 0.00 N ATOM 22 CA ARG A -6 5.369 -10.523 -42.795 1.00 0.00 C ATOM 23 C ARG A -6 5.316 -10.125 -41.320 1.00 0.00 C ATOM 24 O ARG A -6 5.525 -10.943 -40.442 1.00 0.00 O ATOM 25 CB ARG A -6 5.036 -12.010 -42.936 1.00 0.00 C ATOM 26 CG ARG A -6 5.084 -12.410 -44.412 1.00 0.00 C ATOM 27 CD ARG A -6 4.381 -13.755 -44.599 1.00 0.00 C ATOM 28 NE ARG A -6 5.011 -14.493 -45.730 1.00 0.00 N ATOM 29 CZ ARG A -6 4.278 -15.222 -46.525 1.00 0.00 C ATOM 30 NH1 ARG A -6 3.540 -16.182 -46.035 1.00 0.00 N ATOM 31 NH2 ARG A -6 4.282 -14.994 -47.809 1.00 0.00 N ATOM 0 H ARG A -6 7.461 -10.907 -42.994 1.00 0.00 H new ATOM 0 HA ARG A -6 4.643 -9.935 -43.357 1.00 0.00 H new ATOM 0 HB2 ARG A -6 5.746 -12.608 -42.364 1.00 0.00 H new ATOM 0 HB3 ARG A -6 4.046 -12.212 -42.526 1.00 0.00 H new ATOM 0 HG2 ARG A -6 4.601 -11.647 -45.022 1.00 0.00 H new ATOM 0 HG3 ARG A -6 6.119 -12.479 -44.748 1.00 0.00 H new ATOM 0 HD2 ARG A -6 4.450 -14.343 -43.684 1.00 0.00 H new ATOM 0 HD3 ARG A -6 3.321 -13.599 -44.799 1.00 0.00 H new ATOM 0 HE ARG A -6 6.017 -14.428 -45.883 1.00 0.00 H new ATOM 0 HH11 ARG A -6 3.537 -16.361 -45.031 1.00 0.00 H new ATOM 0 HH12 ARG A -6 2.967 -16.752 -46.657 1.00 0.00 H new ATOM 0 HH21 ARG A -6 4.859 -14.245 -48.192 1.00 0.00 H new ATOM 0 HH22 ARG A -6 3.708 -15.565 -48.430 1.00 0.00 H new ATOM 45 N ARG A -5 5.037 -8.875 -41.042 1.00 0.00 N ATOM 46 CA ARG A -5 4.969 -8.417 -39.621 1.00 0.00 C ATOM 47 C ARG A -5 3.630 -7.720 -39.372 1.00 0.00 C ATOM 48 O ARG A -5 3.325 -6.707 -39.974 1.00 0.00 O ATOM 49 CB ARG A -5 6.112 -7.435 -39.346 1.00 0.00 C ATOM 50 CG ARG A -5 6.514 -7.522 -37.873 1.00 0.00 C ATOM 51 CD ARG A -5 7.999 -7.187 -37.727 1.00 0.00 C ATOM 52 NE ARG A -5 8.798 -8.445 -37.751 1.00 0.00 N ATOM 53 CZ ARG A -5 8.981 -9.121 -36.651 1.00 0.00 C ATOM 54 NH1 ARG A -5 9.521 -8.543 -35.614 1.00 0.00 N ATOM 55 NH2 ARG A -5 8.626 -10.374 -36.588 1.00 0.00 N ATOM 0 H ARG A -5 4.854 -8.153 -41.738 1.00 0.00 H new ATOM 0 HA ARG A -5 5.060 -9.278 -38.958 1.00 0.00 H new ATOM 0 HB2 ARG A -5 6.966 -7.667 -39.982 1.00 0.00 H new ATOM 0 HB3 ARG A -5 5.800 -6.419 -39.590 1.00 0.00 H new ATOM 0 HG2 ARG A -5 5.915 -6.831 -37.280 1.00 0.00 H new ATOM 0 HG3 ARG A -5 6.317 -8.523 -37.490 1.00 0.00 H new ATOM 0 HD2 ARG A -5 8.315 -6.528 -38.535 1.00 0.00 H new ATOM 0 HD3 ARG A -5 8.172 -6.652 -36.793 1.00 0.00 H new ATOM 0 HE ARG A -5 9.201 -8.777 -38.627 1.00 0.00 H new ATOM 0 HH11 ARG A -5 9.800 -7.563 -35.664 1.00 0.00 H new ATOM 0 HH12 ARG A -5 9.665 -9.071 -34.753 1.00 0.00 H new ATOM 0 HH21 ARG A -5 8.205 -10.826 -37.400 1.00 0.00 H new ATOM 0 HH22 ARG A -5 8.770 -10.902 -35.727 1.00 0.00 H new ATOM 69 N ALA A -4 2.827 -8.257 -38.483 1.00 0.00 N ATOM 70 CA ALA A -4 1.504 -7.632 -38.183 1.00 0.00 C ATOM 71 C ALA A -4 1.655 -6.669 -37.005 1.00 0.00 C ATOM 72 O ALA A -4 1.561 -7.063 -35.856 1.00 0.00 O ATOM 73 CB ALA A -4 0.492 -8.723 -37.825 1.00 0.00 C ATOM 0 H ALA A -4 3.034 -9.103 -37.953 1.00 0.00 H new ATOM 0 HA ALA A -4 1.152 -7.086 -39.058 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -0.473 -8.266 -37.606 1.00 0.00 H new ATOM 0 HB2 ALA A -4 0.386 -9.411 -38.664 1.00 0.00 H new ATOM 0 HB3 ALA A -4 0.841 -9.270 -36.949 1.00 0.00 H new ATOM 79 N SER A -3 1.895 -5.408 -37.281 1.00 0.00 N ATOM 80 CA SER A -3 2.058 -4.416 -36.177 1.00 0.00 C ATOM 81 C SER A -3 1.712 -3.010 -36.685 1.00 0.00 C ATOM 82 O SER A -3 2.406 -2.049 -36.402 1.00 0.00 O ATOM 83 CB SER A -3 3.507 -4.445 -35.684 1.00 0.00 C ATOM 84 OG SER A -3 4.364 -4.807 -36.762 1.00 0.00 O ATOM 0 H SER A -3 1.984 -5.026 -38.223 1.00 0.00 H new ATOM 0 HA SER A -3 1.387 -4.671 -35.357 1.00 0.00 H new ATOM 0 HB2 SER A -3 3.789 -3.468 -35.292 1.00 0.00 H new ATOM 0 HB3 SER A -3 3.611 -5.158 -34.866 1.00 0.00 H new ATOM 0 HG SER A -3 5.293 -4.825 -36.450 1.00 0.00 H new ATOM 90 N VAL A -2 0.638 -2.884 -37.429 1.00 0.00 N ATOM 91 CA VAL A -2 0.236 -1.543 -37.951 1.00 0.00 C ATOM 92 C VAL A -2 -1.136 -1.168 -37.387 1.00 0.00 C ATOM 93 O VAL A -2 -2.156 -1.373 -38.020 1.00 0.00 O ATOM 94 CB VAL A -2 0.168 -1.586 -39.479 1.00 0.00 C ATOM 95 CG1 VAL A -2 -0.099 -0.179 -40.016 1.00 0.00 C ATOM 96 CG2 VAL A -2 1.500 -2.099 -40.033 1.00 0.00 C ATOM 0 H VAL A -2 0.024 -3.653 -37.696 1.00 0.00 H new ATOM 0 HA VAL A -2 0.971 -0.799 -37.644 1.00 0.00 H new ATOM 0 HB VAL A -2 -0.637 -2.253 -39.790 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -0.148 -0.208 -41.105 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -1.046 0.188 -39.620 1.00 0.00 H new ATOM 0 HG13 VAL A -2 0.706 0.487 -39.707 1.00 0.00 H new ATOM 0 HG21 VAL A -2 1.453 -2.130 -41.122 1.00 0.00 H new ATOM 0 HG22 VAL A -2 2.304 -1.432 -39.723 1.00 0.00 H new ATOM 0 HG23 VAL A -2 1.692 -3.101 -39.649 1.00 0.00 H new ATOM 106 N GLY A -1 -1.166 -0.621 -36.197 1.00 0.00 N ATOM 107 CA GLY A -1 -2.466 -0.228 -35.576 1.00 0.00 C ATOM 108 C GLY A -1 -2.409 -0.502 -34.074 1.00 0.00 C ATOM 109 O GLY A -1 -1.701 0.165 -33.340 1.00 0.00 O ATOM 0 H GLY A -1 -0.342 -0.429 -35.628 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -2.665 0.828 -35.758 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -3.283 -0.789 -36.029 1.00 0.00 H new ATOM 113 N SER A 0 -3.147 -1.481 -33.611 1.00 0.00 N ATOM 114 CA SER A 0 -3.137 -1.806 -32.154 1.00 0.00 C ATOM 115 C SER A 0 -4.018 -3.025 -31.893 1.00 0.00 C ATOM 116 O SER A 0 -4.933 -3.316 -32.640 1.00 0.00 O ATOM 117 CB SER A 0 -3.679 -0.620 -31.351 1.00 0.00 C ATOM 118 OG SER A 0 -4.609 0.101 -32.149 1.00 0.00 O ATOM 0 H SER A 0 -3.756 -2.068 -34.181 1.00 0.00 H new ATOM 0 HA SER A 0 -2.113 -2.017 -31.847 1.00 0.00 H new ATOM 0 HB2 SER A 0 -4.161 -0.973 -30.439 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.861 0.032 -31.047 1.00 0.00 H new ATOM 0 HG SER A 0 -4.959 0.860 -31.638 1.00 0.00 H new ATOM 124 N MET A 1 -3.756 -3.720 -30.822 1.00 0.00 N ATOM 125 CA MET A 1 -4.574 -4.908 -30.467 1.00 0.00 C ATOM 126 C MET A 1 -5.389 -4.580 -29.244 1.00 0.00 C ATOM 127 O MET A 1 -5.439 -3.442 -28.820 1.00 0.00 O ATOM 128 CB MET A 1 -3.660 -6.102 -30.178 1.00 0.00 C ATOM 129 CG MET A 1 -3.423 -6.875 -31.464 1.00 0.00 C ATOM 130 SD MET A 1 -2.478 -5.862 -32.635 1.00 0.00 S ATOM 131 CE MET A 1 -0.927 -5.829 -31.705 1.00 0.00 C ATOM 0 H MET A 1 -3.000 -3.511 -30.170 1.00 0.00 H new ATOM 0 HA MET A 1 -5.233 -5.167 -31.296 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.711 -5.757 -29.767 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.115 -6.750 -29.429 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.882 -7.796 -31.249 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.377 -7.161 -31.906 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.088 -5.767 -32.398 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.917 -4.962 -31.045 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.840 -6.739 -31.111 1.00 0.00 H new ATOM 141 N GLU A 2 -6.029 -5.557 -28.663 1.00 0.00 N ATOM 142 CA GLU A 2 -6.823 -5.305 -27.476 1.00 0.00 C ATOM 143 C GLU A 2 -6.394 -6.308 -26.432 1.00 0.00 C ATOM 144 O GLU A 2 -5.618 -7.202 -26.705 1.00 0.00 O ATOM 145 CB GLU A 2 -8.300 -5.509 -27.817 1.00 0.00 C ATOM 146 CG GLU A 2 -9.107 -4.256 -27.462 1.00 0.00 C ATOM 147 CD GLU A 2 -10.356 -4.189 -28.341 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.255 -3.678 -29.444 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.395 -4.648 -27.894 1.00 0.00 O ATOM 0 H GLU A 2 -6.022 -6.526 -28.981 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.683 -4.288 -27.110 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.408 -5.730 -28.879 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.691 -6.368 -27.271 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.390 -4.279 -26.410 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.498 -3.364 -27.609 1.00 0.00 H new ATOM 156 N ALA A 3 -6.893 -6.173 -25.259 1.00 0.00 N ATOM 157 CA ALA A 3 -6.540 -7.130 -24.177 1.00 0.00 C ATOM 158 C ALA A 3 -7.665 -7.194 -23.164 1.00 0.00 C ATOM 159 O ALA A 3 -7.995 -6.226 -22.519 1.00 0.00 O ATOM 160 CB ALA A 3 -5.270 -6.703 -23.510 1.00 0.00 C ATOM 0 H ALA A 3 -7.541 -5.434 -24.987 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.393 -8.120 -24.609 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.019 -7.410 -22.719 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.464 -6.678 -24.244 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.401 -5.709 -23.081 1.00 0.00 H new ATOM 166 N ILE A 4 -8.262 -8.331 -23.045 1.00 0.00 N ATOM 167 CA ILE A 4 -9.400 -8.503 -22.111 1.00 0.00 C ATOM 168 C ILE A 4 -8.984 -8.302 -20.678 1.00 0.00 C ATOM 169 O ILE A 4 -8.227 -9.073 -20.120 1.00 0.00 O ATOM 170 CB ILE A 4 -9.974 -9.895 -22.276 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.090 -10.136 -21.236 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.885 -10.942 -22.101 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.265 -10.758 -21.916 1.00 0.00 C ATOM 0 H ILE A 4 -8.007 -9.170 -23.565 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.149 -7.749 -22.351 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.391 -9.978 -23.280 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.728 -10.787 -20.440 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.380 -9.194 -20.770 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.314 -11.937 -22.223 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.108 -10.788 -22.850 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.451 -10.853 -21.105 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.057 -10.931 -21.188 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.629 -10.090 -22.697 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.967 -11.707 -22.361 1.00 0.00 H new ATOM 185 N ALA A 5 -9.549 -7.311 -20.067 1.00 0.00 N ATOM 186 CA ALA A 5 -9.276 -7.076 -18.613 1.00 0.00 C ATOM 187 C ALA A 5 -10.008 -8.187 -17.851 1.00 0.00 C ATOM 188 O ALA A 5 -11.226 -8.230 -17.830 1.00 0.00 O ATOM 189 CB ALA A 5 -9.829 -5.725 -18.168 1.00 0.00 C ATOM 0 H ALA A 5 -10.190 -6.647 -20.502 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.203 -7.080 -18.422 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.619 -5.577 -17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.357 -4.930 -18.746 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.907 -5.701 -18.331 1.00 0.00 H new ATOM 195 N LYS A 6 -9.287 -9.101 -17.267 1.00 0.00 N ATOM 196 CA LYS A 6 -9.939 -10.240 -16.552 1.00 0.00 C ATOM 197 C LYS A 6 -10.623 -9.769 -15.261 1.00 0.00 C ATOM 198 O LYS A 6 -11.543 -10.405 -14.782 1.00 0.00 O ATOM 199 CB LYS A 6 -8.881 -11.277 -16.187 1.00 0.00 C ATOM 200 CG LYS A 6 -8.123 -11.697 -17.440 1.00 0.00 C ATOM 201 CD LYS A 6 -6.763 -12.263 -17.043 1.00 0.00 C ATOM 202 CE LYS A 6 -6.955 -13.572 -16.279 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.824 -14.492 -16.583 1.00 0.00 N ATOM 0 H LYS A 6 -8.267 -9.111 -17.252 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.692 -10.668 -17.214 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.190 -10.863 -15.453 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.352 -12.145 -15.727 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.694 -12.445 -17.990 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.994 -10.842 -18.104 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.156 -12.435 -17.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.226 -11.545 -16.424 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.002 -13.377 -15.208 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.901 -14.035 -16.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.953 -15.384 -16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.800 -14.686 -17.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.929 -14.049 -16.293 1.00 0.00 H new ATOM 217 N TYR A 7 -10.170 -8.680 -14.679 1.00 0.00 N ATOM 218 CA TYR A 7 -10.789 -8.203 -13.389 1.00 0.00 C ATOM 219 C TYR A 7 -10.762 -6.687 -13.318 1.00 0.00 C ATOM 220 O TYR A 7 -10.425 -6.005 -14.267 1.00 0.00 O ATOM 221 CB TYR A 7 -10.007 -8.763 -12.183 1.00 0.00 C ATOM 222 CG TYR A 7 -9.640 -10.213 -12.405 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.623 -11.207 -12.344 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.314 -10.554 -12.673 1.00 0.00 C ATOM 225 CE1 TYR A 7 -10.274 -12.548 -12.553 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.962 -11.890 -12.883 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.942 -12.890 -12.824 1.00 0.00 C ATOM 228 OH TYR A 7 -8.597 -14.210 -13.030 1.00 0.00 O ATOM 0 H TYR A 7 -9.407 -8.104 -15.034 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.820 -8.555 -13.360 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.103 -8.175 -12.026 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.609 -8.670 -11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.649 -10.941 -12.136 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.558 -9.784 -12.718 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.031 -13.317 -12.505 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.935 -12.152 -13.091 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.635 -14.273 -13.207 1.00 0.00 H new ATOM 238 N ASP A 8 -11.124 -6.165 -12.184 1.00 0.00 N ATOM 239 CA ASP A 8 -11.138 -4.696 -11.989 1.00 0.00 C ATOM 240 C ASP A 8 -9.734 -4.224 -11.620 1.00 0.00 C ATOM 241 O ASP A 8 -8.871 -5.008 -11.307 1.00 0.00 O ATOM 242 CB ASP A 8 -12.097 -4.365 -10.853 1.00 0.00 C ATOM 243 CG ASP A 8 -13.105 -3.304 -11.295 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.801 -2.133 -11.143 1.00 0.00 O ATOM 245 OD2 ASP A 8 -14.161 -3.679 -11.774 1.00 0.00 O ATOM 0 H ASP A 8 -11.416 -6.706 -11.370 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.458 -4.199 -12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.623 -5.267 -10.539 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.537 -4.006 -9.990 1.00 0.00 H new ATOM 250 N PHE A 9 -9.516 -2.940 -11.626 1.00 0.00 N ATOM 251 CA PHE A 9 -8.188 -2.386 -11.262 1.00 0.00 C ATOM 252 C PHE A 9 -8.186 -0.873 -11.524 1.00 0.00 C ATOM 253 O PHE A 9 -9.149 -0.319 -12.030 1.00 0.00 O ATOM 254 CB PHE A 9 -7.071 -3.051 -12.115 1.00 0.00 C ATOM 255 CG PHE A 9 -5.909 -3.548 -11.244 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.654 -2.991 -9.976 1.00 0.00 C ATOM 257 CD2 PHE A 9 -5.083 -4.562 -11.729 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.579 -3.454 -9.208 1.00 0.00 C ATOM 259 CE2 PHE A 9 -4.008 -5.026 -10.959 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.756 -4.471 -9.700 1.00 0.00 C ATOM 0 H PHE A 9 -10.216 -2.240 -11.873 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.997 -2.587 -10.208 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.490 -3.888 -12.674 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.697 -2.335 -12.846 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.289 -2.205 -9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.273 -4.991 -12.702 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.386 -3.026 -8.236 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.373 -5.813 -11.338 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.926 -4.828 -9.108 1.00 0.00 H new ATOM 270 N LYS A 10 -7.108 -0.207 -11.192 1.00 0.00 N ATOM 271 CA LYS A 10 -7.029 1.269 -11.421 1.00 0.00 C ATOM 272 C LYS A 10 -5.616 1.665 -11.764 1.00 0.00 C ATOM 273 O LYS A 10 -4.685 0.892 -11.623 1.00 0.00 O ATOM 274 CB LYS A 10 -7.474 2.005 -10.158 1.00 0.00 C ATOM 275 CG LYS A 10 -8.002 3.391 -10.525 1.00 0.00 C ATOM 276 CD LYS A 10 -9.099 3.792 -9.539 1.00 0.00 C ATOM 277 CE LYS A 10 -8.466 4.162 -8.196 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.507 4.120 -7.130 1.00 0.00 N ATOM 0 H LYS A 10 -6.277 -0.623 -10.771 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.684 1.536 -12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.249 1.434 -9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.637 2.096 -9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.192 4.119 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.395 3.385 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.665 4.637 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.803 2.970 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.659 3.469 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.026 5.158 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.079 4.371 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.263 4.798 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.907 3.162 -7.073 1.00 0.00 H new ATOM 292 N ALA A 11 -5.450 2.876 -12.222 1.00 0.00 N ATOM 293 CA ALA A 11 -4.106 3.348 -12.589 1.00 0.00 C ATOM 294 C ALA A 11 -3.399 3.834 -11.324 1.00 0.00 C ATOM 295 O ALA A 11 -3.963 4.580 -10.544 1.00 0.00 O ATOM 296 CB ALA A 11 -4.207 4.492 -13.590 1.00 0.00 C ATOM 0 H ALA A 11 -6.199 3.555 -12.355 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.543 2.534 -13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.206 4.833 -13.855 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.721 4.146 -14.487 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.766 5.316 -13.146 1.00 0.00 H new ATOM 302 N THR A 12 -2.181 3.419 -11.108 1.00 0.00 N ATOM 303 CA THR A 12 -1.447 3.858 -9.876 1.00 0.00 C ATOM 304 C THR A 12 -0.355 4.851 -10.255 1.00 0.00 C ATOM 305 O THR A 12 -0.322 5.965 -9.764 1.00 0.00 O ATOM 306 CB THR A 12 -0.822 2.643 -9.189 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.345 1.737 -10.172 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.879 1.954 -8.329 1.00 0.00 C ATOM 0 H THR A 12 -1.660 2.797 -11.726 1.00 0.00 H new ATOM 0 HA THR A 12 -2.147 4.338 -9.192 1.00 0.00 H new ATOM 0 HB THR A 12 0.009 2.964 -8.560 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.057 0.959 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.439 1.087 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.246 2.651 -7.576 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.707 1.631 -8.960 1.00 0.00 H new ATOM 316 N ALA A 13 0.535 4.459 -11.128 1.00 0.00 N ATOM 317 CA ALA A 13 1.630 5.381 -11.551 1.00 0.00 C ATOM 318 C ALA A 13 1.040 6.558 -12.281 1.00 0.00 C ATOM 319 O ALA A 13 -0.133 6.586 -12.612 1.00 0.00 O ATOM 320 CB ALA A 13 2.597 4.651 -12.482 1.00 0.00 C ATOM 0 H ALA A 13 0.551 3.539 -11.567 1.00 0.00 H new ATOM 0 HA ALA A 13 2.167 5.723 -10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.393 5.331 -12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.029 3.797 -11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.060 4.304 -13.365 1.00 0.00 H new ATOM 326 N ASP A 14 1.852 7.528 -12.532 1.00 0.00 N ATOM 327 CA ASP A 14 1.396 8.735 -13.241 1.00 0.00 C ATOM 328 C ASP A 14 1.088 8.408 -14.713 1.00 0.00 C ATOM 329 O ASP A 14 0.510 9.211 -15.422 1.00 0.00 O ATOM 330 CB ASP A 14 2.502 9.755 -13.147 1.00 0.00 C ATOM 331 CG ASP A 14 1.928 11.164 -13.309 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.469 11.714 -12.322 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.956 11.668 -14.420 1.00 0.00 O ATOM 0 H ASP A 14 2.837 7.535 -12.269 1.00 0.00 H new ATOM 0 HA ASP A 14 0.480 9.121 -12.793 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.008 9.668 -12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.249 9.566 -13.918 1.00 0.00 H new ATOM 338 N ASP A 15 1.459 7.226 -15.172 1.00 0.00 N ATOM 339 CA ASP A 15 1.184 6.844 -16.558 1.00 0.00 C ATOM 340 C ASP A 15 0.558 5.451 -16.583 1.00 0.00 C ATOM 341 O ASP A 15 0.725 4.707 -17.530 1.00 0.00 O ATOM 342 CB ASP A 15 2.486 6.836 -17.362 1.00 0.00 C ATOM 343 CG ASP A 15 2.766 8.242 -17.894 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.849 8.847 -18.426 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.893 8.690 -17.762 1.00 0.00 O ATOM 0 H ASP A 15 1.945 6.519 -14.620 1.00 0.00 H new ATOM 0 HA ASP A 15 0.495 7.563 -17.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.312 6.502 -16.734 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.410 6.131 -18.190 1.00 0.00 H new ATOM 350 N GLU A 16 -0.170 5.093 -15.546 1.00 0.00 N ATOM 351 CA GLU A 16 -0.813 3.752 -15.514 1.00 0.00 C ATOM 352 C GLU A 16 -2.229 3.874 -16.072 1.00 0.00 C ATOM 353 O GLU A 16 -2.689 4.962 -16.373 1.00 0.00 O ATOM 354 CB GLU A 16 -0.846 3.233 -14.074 1.00 0.00 C ATOM 355 CG GLU A 16 -1.008 1.713 -14.088 1.00 0.00 C ATOM 356 CD GLU A 16 -0.228 1.097 -12.927 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.820 1.626 -12.593 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.688 0.102 -12.394 1.00 0.00 O ATOM 0 H GLU A 16 -0.341 5.676 -14.727 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.246 3.047 -16.122 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.073 3.507 -13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.670 3.693 -13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.063 1.450 -14.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.649 1.309 -15.034 1.00 0.00 H new ATOM 365 N LEU A 17 -2.915 2.772 -16.241 1.00 0.00 N ATOM 366 CA LEU A 17 -4.290 2.829 -16.810 1.00 0.00 C ATOM 367 C LEU A 17 -5.277 2.104 -15.891 1.00 0.00 C ATOM 368 O LEU A 17 -4.963 1.099 -15.281 1.00 0.00 O ATOM 369 CB LEU A 17 -4.262 2.182 -18.215 1.00 0.00 C ATOM 370 CG LEU A 17 -5.674 2.091 -18.820 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.132 3.478 -19.298 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.649 1.115 -20.009 1.00 0.00 C ATOM 0 H LEU A 17 -2.580 1.837 -16.009 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.620 3.864 -16.893 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.619 2.766 -18.874 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.828 1.184 -18.149 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.371 1.732 -18.063 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.132 3.404 -19.725 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.148 4.167 -18.453 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.441 3.848 -20.055 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.646 1.045 -20.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.950 1.477 -20.763 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.333 0.130 -19.665 1.00 0.00 H new ATOM 384 N SER A 18 -6.474 2.627 -15.797 1.00 0.00 N ATOM 385 CA SER A 18 -7.511 2.017 -14.939 1.00 0.00 C ATOM 386 C SER A 18 -8.459 1.185 -15.798 1.00 0.00 C ATOM 387 O SER A 18 -8.510 1.342 -17.004 1.00 0.00 O ATOM 388 CB SER A 18 -8.291 3.120 -14.280 1.00 0.00 C ATOM 389 OG SER A 18 -7.432 4.217 -13.999 1.00 0.00 O ATOM 0 H SER A 18 -6.773 3.467 -16.292 1.00 0.00 H new ATOM 0 HA SER A 18 -7.045 1.378 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.105 3.441 -14.930 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.745 2.756 -13.358 1.00 0.00 H new ATOM 0 HG SER A 18 -7.946 4.934 -13.571 1.00 0.00 H new ATOM 395 N PHE A 19 -9.225 0.315 -15.184 1.00 0.00 N ATOM 396 CA PHE A 19 -10.191 -0.513 -15.966 1.00 0.00 C ATOM 397 C PHE A 19 -11.008 -1.389 -15.015 1.00 0.00 C ATOM 398 O PHE A 19 -10.709 -1.496 -13.842 1.00 0.00 O ATOM 399 CB PHE A 19 -9.441 -1.388 -16.982 1.00 0.00 C ATOM 400 CG PHE A 19 -8.485 -2.316 -16.277 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.922 -3.576 -15.863 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.160 -1.923 -16.053 1.00 0.00 C ATOM 403 CE1 PHE A 19 -8.033 -4.448 -15.224 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.273 -2.792 -15.411 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.708 -4.055 -14.999 1.00 0.00 C ATOM 0 H PHE A 19 -9.222 0.144 -14.178 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.866 0.148 -16.510 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.154 -1.968 -17.568 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.894 -0.756 -17.681 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.945 -3.877 -16.036 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.823 -0.949 -16.376 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.369 -5.424 -14.905 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.252 -2.488 -15.233 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.022 -4.728 -14.507 1.00 0.00 H new ATOM 415 N LYS A 20 -12.049 -1.995 -15.517 1.00 0.00 N ATOM 416 CA LYS A 20 -12.917 -2.848 -14.665 1.00 0.00 C ATOM 417 C LYS A 20 -12.863 -4.298 -15.130 1.00 0.00 C ATOM 418 O LYS A 20 -12.196 -4.639 -16.088 1.00 0.00 O ATOM 419 CB LYS A 20 -14.359 -2.356 -14.772 1.00 0.00 C ATOM 420 CG LYS A 20 -14.425 -0.861 -14.445 1.00 0.00 C ATOM 421 CD LYS A 20 -15.007 -0.652 -13.042 1.00 0.00 C ATOM 422 CE LYS A 20 -16.476 -1.079 -13.023 1.00 0.00 C ATOM 423 NZ LYS A 20 -17.098 -0.658 -11.735 1.00 0.00 N ATOM 0 H LYS A 20 -12.336 -1.933 -16.494 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.565 -2.788 -13.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.740 -2.534 -15.778 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.995 -2.916 -14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.428 -0.424 -14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.041 -0.347 -15.183 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.441 -1.232 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.919 0.396 -12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.008 -0.628 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.553 -2.160 -13.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.097 -0.948 -11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.596 -1.108 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.036 0.376 -11.641 1.00 0.00 H new ATOM 437 N ARG A 21 -13.577 -5.145 -14.449 1.00 0.00 N ATOM 438 CA ARG A 21 -13.619 -6.583 -14.805 1.00 0.00 C ATOM 439 C ARG A 21 -14.449 -6.776 -16.070 1.00 0.00 C ATOM 440 O ARG A 21 -15.664 -6.850 -16.017 1.00 0.00 O ATOM 441 CB ARG A 21 -14.272 -7.321 -13.654 1.00 0.00 C ATOM 442 CG ARG A 21 -14.197 -8.825 -13.872 1.00 0.00 C ATOM 443 CD ARG A 21 -14.122 -9.502 -12.510 1.00 0.00 C ATOM 444 NE ARG A 21 -14.729 -10.861 -12.582 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.640 -11.214 -11.715 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.849 -10.735 -11.810 1.00 0.00 N ATOM 447 NH2 ARG A 21 -15.340 -12.044 -10.752 1.00 0.00 N ATOM 0 H ARG A 21 -14.146 -4.892 -13.641 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.613 -6.962 -14.986 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.777 -7.058 -12.719 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.313 -7.013 -13.561 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.072 -9.173 -14.422 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.322 -9.079 -14.471 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.083 -9.575 -12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.645 -8.900 -11.766 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.434 -11.515 -13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.083 -10.085 -12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.561 -11.010 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.394 -12.417 -10.677 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.052 -12.319 -10.075 1.00 0.00 H new ATOM 461 N GLY A 22 -13.808 -6.856 -17.209 1.00 0.00 N ATOM 462 CA GLY A 22 -14.563 -7.043 -18.484 1.00 0.00 C ATOM 463 C GLY A 22 -14.353 -5.832 -19.410 1.00 0.00 C ATOM 464 O GLY A 22 -14.960 -5.743 -20.463 1.00 0.00 O ATOM 0 H GLY A 22 -12.795 -6.800 -17.310 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.229 -7.953 -18.982 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.625 -7.167 -18.271 1.00 0.00 H new ATOM 468 N ASP A 23 -13.496 -4.901 -19.032 1.00 0.00 N ATOM 469 CA ASP A 23 -13.245 -3.736 -19.864 1.00 0.00 C ATOM 470 C ASP A 23 -12.003 -4.005 -20.684 1.00 0.00 C ATOM 471 O ASP A 23 -10.901 -3.808 -20.219 1.00 0.00 O ATOM 472 CB ASP A 23 -13.010 -2.523 -18.968 1.00 0.00 C ATOM 473 CG ASP A 23 -14.062 -1.444 -19.247 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.119 -0.976 -20.372 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.791 -1.104 -18.329 1.00 0.00 O ATOM 0 H ASP A 23 -12.965 -4.927 -18.161 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.095 -3.540 -20.518 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.055 -2.822 -17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.012 -2.121 -19.143 1.00 0.00 H new ATOM 480 N ILE A 24 -12.164 -4.461 -21.882 1.00 0.00 N ATOM 481 CA ILE A 24 -10.974 -4.761 -22.725 1.00 0.00 C ATOM 482 C ILE A 24 -10.291 -3.452 -23.116 1.00 0.00 C ATOM 483 O ILE A 24 -10.916 -2.511 -23.565 1.00 0.00 O ATOM 484 CB ILE A 24 -11.377 -5.571 -23.959 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.388 -6.676 -23.525 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.101 -6.201 -24.543 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.527 -7.751 -24.599 1.00 0.00 C ATOM 0 H ILE A 24 -13.066 -4.642 -22.322 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.269 -5.367 -22.156 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.852 -4.942 -24.712 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.055 -7.131 -22.592 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.361 -6.226 -23.330 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.356 -6.787 -25.426 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.400 -5.413 -24.819 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.642 -6.850 -23.798 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.238 -8.507 -24.267 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.884 -7.298 -25.524 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.558 -8.217 -24.775 1.00 0.00 H new ATOM 499 N LEU A 25 -9.008 -3.388 -22.901 1.00 0.00 N ATOM 500 CA LEU A 25 -8.230 -2.139 -23.196 1.00 0.00 C ATOM 501 C LEU A 25 -7.754 -2.154 -24.651 1.00 0.00 C ATOM 502 O LEU A 25 -7.813 -3.170 -25.323 1.00 0.00 O ATOM 503 CB LEU A 25 -6.978 -2.005 -22.253 1.00 0.00 C ATOM 504 CG LEU A 25 -6.999 -3.010 -21.062 1.00 0.00 C ATOM 505 CD1 LEU A 25 -5.817 -2.721 -20.135 1.00 0.00 C ATOM 506 CD2 LEU A 25 -8.314 -2.887 -20.260 1.00 0.00 C ATOM 0 H LEU A 25 -8.451 -4.157 -22.528 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.890 -1.289 -23.023 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.072 -2.163 -22.838 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.932 -0.989 -21.862 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.927 -4.022 -21.462 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.829 -3.422 -19.301 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.885 -2.832 -20.689 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.894 -1.703 -19.754 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.305 -3.599 -19.434 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.406 -1.875 -19.866 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.160 -3.101 -20.913 1.00 0.00 H new ATOM 518 N LYS A 26 -7.270 -1.027 -25.137 1.00 0.00 N ATOM 519 CA LYS A 26 -6.779 -0.967 -26.564 1.00 0.00 C ATOM 520 C LYS A 26 -5.251 -0.838 -26.583 1.00 0.00 C ATOM 521 O LYS A 26 -4.709 0.245 -26.499 1.00 0.00 O ATOM 522 CB LYS A 26 -7.403 0.241 -27.265 1.00 0.00 C ATOM 523 CG LYS A 26 -7.203 0.112 -28.777 1.00 0.00 C ATOM 524 CD LYS A 26 -8.421 0.684 -29.503 1.00 0.00 C ATOM 525 CE LYS A 26 -8.186 2.165 -29.803 1.00 0.00 C ATOM 526 NZ LYS A 26 -7.576 2.308 -31.155 1.00 0.00 N ATOM 0 H LYS A 26 -7.193 -0.154 -24.615 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.068 -1.881 -27.084 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.466 0.301 -27.032 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.945 1.162 -26.904 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.302 0.644 -29.082 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.063 -0.934 -29.048 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.595 0.137 -30.430 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.314 0.563 -28.889 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.129 2.710 -29.758 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.530 2.600 -29.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.416 3.315 -31.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.668 1.801 -31.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.217 1.908 -31.869 1.00 0.00 H new ATOM 540 N VAL A 27 -4.555 -1.943 -26.683 1.00 0.00 N ATOM 541 CA VAL A 27 -3.062 -1.906 -26.685 1.00 0.00 C ATOM 542 C VAL A 27 -2.542 -1.010 -27.808 1.00 0.00 C ATOM 543 O VAL A 27 -2.558 -1.372 -28.968 1.00 0.00 O ATOM 544 CB VAL A 27 -2.516 -3.334 -26.849 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.981 -3.325 -26.769 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.070 -4.219 -25.723 1.00 0.00 C ATOM 0 H VAL A 27 -4.961 -2.875 -26.764 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.719 -1.492 -25.737 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.824 -3.724 -27.819 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.605 -4.341 -26.886 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.579 -2.695 -27.563 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.669 -2.932 -25.801 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.686 -5.233 -25.835 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.759 -3.817 -24.758 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.159 -4.236 -25.776 1.00 0.00 H new ATOM 556 N LEU A 28 -2.046 0.149 -27.451 1.00 0.00 N ATOM 557 CA LEU A 28 -1.476 1.075 -28.465 1.00 0.00 C ATOM 558 C LEU A 28 0.002 0.735 -28.628 1.00 0.00 C ATOM 559 O LEU A 28 0.596 0.999 -29.657 1.00 0.00 O ATOM 560 CB LEU A 28 -1.579 2.571 -28.028 1.00 0.00 C ATOM 561 CG LEU A 28 -2.702 2.809 -26.993 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.085 2.991 -25.591 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.486 4.080 -27.376 1.00 0.00 C ATOM 0 H LEU A 28 -2.014 0.492 -26.491 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.039 0.954 -29.391 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.626 2.889 -27.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.761 3.191 -28.906 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.374 1.951 -26.983 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.879 3.159 -24.863 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.527 2.095 -25.320 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.412 3.849 -25.598 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.279 4.251 -26.648 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.810 4.935 -27.385 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.923 3.953 -28.366 1.00 0.00 H new ATOM 575 N ASN A 29 0.616 0.162 -27.601 1.00 0.00 N ATOM 576 CA ASN A 29 2.066 -0.167 -27.708 1.00 0.00 C ATOM 577 C ASN A 29 2.529 -0.968 -26.480 1.00 0.00 C ATOM 578 O ASN A 29 1.728 -1.565 -25.768 1.00 0.00 O ATOM 579 CB ASN A 29 2.862 1.143 -27.803 1.00 0.00 C ATOM 580 CG ASN A 29 4.024 0.971 -28.786 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.170 1.152 -28.426 1.00 0.00 O ATOM 582 ND2 ASN A 29 3.775 0.626 -30.019 1.00 0.00 N ATOM 0 H ASN A 29 0.174 -0.083 -26.715 1.00 0.00 H new ATOM 0 HA ASN A 29 2.235 -0.775 -28.597 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.211 1.952 -28.133 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.243 1.421 -26.820 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.542 0.508 -30.681 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.813 0.474 -30.322 1.00 0.00 H new ATOM 589 N GLU A 30 3.819 -0.984 -26.228 1.00 0.00 N ATOM 590 CA GLU A 30 4.345 -1.732 -25.061 1.00 0.00 C ATOM 591 C GLU A 30 5.823 -1.389 -24.856 1.00 0.00 C ATOM 592 O GLU A 30 6.703 -2.145 -25.224 1.00 0.00 O ATOM 593 CB GLU A 30 4.194 -3.234 -25.307 1.00 0.00 C ATOM 594 CG GLU A 30 3.926 -3.943 -23.979 1.00 0.00 C ATOM 595 CD GLU A 30 4.575 -5.329 -23.997 1.00 0.00 C ATOM 596 OE1 GLU A 30 4.309 -6.073 -24.928 1.00 0.00 O ATOM 597 OE2 GLU A 30 5.324 -5.623 -23.082 1.00 0.00 O ATOM 0 H GLU A 30 4.525 -0.506 -26.788 1.00 0.00 H new ATOM 0 HA GLU A 30 3.784 -1.454 -24.169 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.375 -3.419 -26.002 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.099 -3.631 -25.767 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.326 -3.354 -23.154 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.852 -4.035 -23.814 1.00 0.00 H new ATOM 604 N GLU A 31 6.104 -0.255 -24.248 1.00 0.00 N ATOM 605 CA GLU A 31 7.531 0.141 -23.989 1.00 0.00 C ATOM 606 C GLU A 31 8.190 -0.931 -23.138 1.00 0.00 C ATOM 607 O GLU A 31 7.620 -1.985 -22.913 1.00 0.00 O ATOM 608 CB GLU A 31 7.562 1.477 -23.243 1.00 0.00 C ATOM 609 CG GLU A 31 6.796 2.533 -24.049 1.00 0.00 C ATOM 610 CD GLU A 31 7.776 3.330 -24.912 1.00 0.00 C ATOM 611 OE1 GLU A 31 8.426 2.723 -25.747 1.00 0.00 O ATOM 612 OE2 GLU A 31 7.859 4.532 -24.724 1.00 0.00 O ATOM 0 H GLU A 31 5.406 0.413 -23.920 1.00 0.00 H new ATOM 0 HA GLU A 31 8.065 0.245 -24.933 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.115 1.364 -22.255 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.593 1.797 -23.092 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.048 2.052 -24.680 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.262 3.202 -23.375 1.00 0.00 H new ATOM 619 N CYS A 32 9.388 -0.687 -22.663 1.00 0.00 N ATOM 620 CA CYS A 32 10.083 -1.724 -21.816 1.00 0.00 C ATOM 621 C CYS A 32 9.159 -2.180 -20.696 1.00 0.00 C ATOM 622 O CYS A 32 8.403 -1.404 -20.145 1.00 0.00 O ATOM 623 CB CYS A 32 11.350 -1.178 -21.202 1.00 0.00 C ATOM 624 SG CYS A 32 12.513 -0.718 -22.508 1.00 0.00 S ATOM 0 H CYS A 32 9.914 0.173 -22.819 1.00 0.00 H new ATOM 0 HA CYS A 32 10.339 -2.561 -22.465 1.00 0.00 H new ATOM 0 HB2 CYS A 32 11.121 -0.310 -20.584 1.00 0.00 H new ATOM 0 HB3 CYS A 32 11.800 -1.925 -20.548 1.00 0.00 H new ATOM 0 HG CYS A 32 13.601 -0.247 -21.974 1.00 0.00 H new ATOM 630 N ASP A 33 9.206 -3.444 -20.383 1.00 0.00 N ATOM 631 CA ASP A 33 8.330 -4.034 -19.331 1.00 0.00 C ATOM 632 C ASP A 33 8.409 -5.550 -19.445 1.00 0.00 C ATOM 633 O ASP A 33 8.915 -6.080 -20.419 1.00 0.00 O ATOM 634 CB ASP A 33 6.864 -3.514 -19.537 1.00 0.00 C ATOM 635 CG ASP A 33 5.844 -4.497 -19.081 1.00 0.00 C ATOM 636 OD1 ASP A 33 5.680 -5.486 -19.778 1.00 0.00 O ATOM 637 OD2 ASP A 33 5.246 -4.263 -18.042 1.00 0.00 O ATOM 0 H ASP A 33 9.835 -4.114 -20.826 1.00 0.00 H new ATOM 0 HA ASP A 33 8.653 -3.740 -18.332 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.733 -2.579 -18.992 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.705 -3.293 -20.592 1.00 0.00 H new ATOM 642 N GLN A 34 7.911 -6.257 -18.449 1.00 0.00 N ATOM 643 CA GLN A 34 7.964 -7.728 -18.513 1.00 0.00 C ATOM 644 C GLN A 34 6.625 -8.375 -18.113 1.00 0.00 C ATOM 645 O GLN A 34 6.524 -9.586 -18.064 1.00 0.00 O ATOM 646 CB GLN A 34 9.075 -8.239 -17.595 1.00 0.00 C ATOM 647 CG GLN A 34 10.372 -8.400 -18.398 1.00 0.00 C ATOM 648 CD GLN A 34 10.525 -9.857 -18.835 1.00 0.00 C ATOM 649 OE1 GLN A 34 10.698 -10.735 -18.013 1.00 0.00 O ATOM 650 NE2 GLN A 34 10.468 -10.154 -20.104 1.00 0.00 N ATOM 0 H GLN A 34 7.478 -5.868 -17.611 1.00 0.00 H new ATOM 0 HA GLN A 34 8.169 -8.007 -19.547 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.229 -7.542 -16.771 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.787 -9.194 -17.155 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.355 -7.748 -19.271 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.227 -8.099 -17.792 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.323 -9.417 -20.794 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.569 -11.123 -20.406 1.00 0.00 H new ATOM 659 N ASN A 35 5.607 -7.596 -17.828 1.00 0.00 N ATOM 660 CA ASN A 35 4.281 -8.208 -17.427 1.00 0.00 C ATOM 661 C ASN A 35 3.113 -7.203 -17.484 1.00 0.00 C ATOM 662 O ASN A 35 2.091 -7.445 -16.907 1.00 0.00 O ATOM 663 CB ASN A 35 4.386 -8.734 -16.005 1.00 0.00 C ATOM 664 CG ASN A 35 4.854 -10.189 -16.015 1.00 0.00 C ATOM 665 OD1 ASN A 35 4.243 -11.031 -16.641 1.00 0.00 O ATOM 666 ND2 ASN A 35 5.921 -10.524 -15.343 1.00 0.00 N ATOM 0 H ASN A 35 5.627 -6.576 -17.853 1.00 0.00 H new ATOM 0 HA ASN A 35 4.071 -9.006 -18.139 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.085 -8.123 -15.434 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.418 -8.659 -15.509 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.241 -11.492 -15.344 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.435 -9.817 -14.817 1.00 0.00 H new ATOM 673 N TRP A 36 3.256 -6.107 -18.177 1.00 0.00 N ATOM 674 CA TRP A 36 2.131 -5.095 -18.287 1.00 0.00 C ATOM 675 C TRP A 36 2.077 -4.583 -19.754 1.00 0.00 C ATOM 676 O TRP A 36 3.096 -4.443 -20.401 1.00 0.00 O ATOM 677 CB TRP A 36 2.355 -3.859 -17.356 1.00 0.00 C ATOM 678 CG TRP A 36 2.703 -4.241 -15.928 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.727 -5.048 -15.552 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.076 -3.785 -14.672 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.740 -5.140 -14.169 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.762 -4.378 -13.588 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.986 -2.933 -14.366 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.400 -4.139 -12.262 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.626 -2.693 -13.024 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.335 -3.292 -11.981 1.00 0.00 C ATOM 0 H TRP A 36 4.106 -5.854 -18.681 1.00 0.00 H new ATOM 0 HA TRP A 36 1.206 -5.588 -17.987 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.156 -3.244 -17.766 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.453 -3.247 -17.352 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.419 -5.538 -16.221 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.403 -5.710 -13.644 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.429 -2.465 -15.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.945 -4.610 -11.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.205 -2.040 -12.801 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.056 -3.097 -10.956 1.00 0.00 H new ATOM 697 N TYR A 37 0.894 -4.303 -20.273 1.00 0.00 N ATOM 698 CA TYR A 37 0.774 -3.800 -21.690 1.00 0.00 C ATOM 699 C TYR A 37 0.517 -2.286 -21.701 1.00 0.00 C ATOM 700 O TYR A 37 0.039 -1.731 -20.743 1.00 0.00 O ATOM 701 CB TYR A 37 -0.457 -4.418 -22.357 1.00 0.00 C ATOM 702 CG TYR A 37 -0.311 -5.901 -22.576 1.00 0.00 C ATOM 703 CD1 TYR A 37 0.850 -6.434 -23.145 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.374 -6.741 -22.232 1.00 0.00 C ATOM 705 CE1 TYR A 37 0.946 -7.815 -23.366 1.00 0.00 C ATOM 706 CE2 TYR A 37 -1.287 -8.113 -22.454 1.00 0.00 C ATOM 707 CZ TYR A 37 -0.124 -8.656 -23.022 1.00 0.00 C ATOM 708 OH TYR A 37 -0.033 -10.019 -23.249 1.00 0.00 O ATOM 0 H TYR A 37 0.008 -4.401 -19.776 1.00 0.00 H new ATOM 0 HA TYR A 37 1.699 -4.058 -22.205 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.334 -4.230 -21.738 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.632 -3.928 -23.315 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.670 -5.784 -23.413 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.268 -6.324 -21.792 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.843 -8.232 -23.801 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.112 -8.758 -22.190 1.00 0.00 H new ATOM 0 HH TYR A 37 0.055 -10.185 -24.211 1.00 0.00 H new ATOM 718 N LYS A 38 0.750 -1.636 -22.822 1.00 0.00 N ATOM 719 CA LYS A 38 0.427 -0.184 -22.931 1.00 0.00 C ATOM 720 C LYS A 38 -0.862 -0.111 -23.750 1.00 0.00 C ATOM 721 O LYS A 38 -0.917 -0.621 -24.854 1.00 0.00 O ATOM 722 CB LYS A 38 1.547 0.554 -23.656 1.00 0.00 C ATOM 723 CG LYS A 38 1.418 2.056 -23.400 1.00 0.00 C ATOM 724 CD LYS A 38 1.482 2.820 -24.733 1.00 0.00 C ATOM 725 CE LYS A 38 2.542 3.913 -24.638 1.00 0.00 C ATOM 726 NZ LYS A 38 2.491 4.768 -25.857 1.00 0.00 N ATOM 0 H LYS A 38 1.150 -2.054 -23.662 1.00 0.00 H new ATOM 0 HA LYS A 38 0.314 0.278 -21.950 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.516 0.197 -23.308 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.498 0.351 -24.726 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.476 2.268 -22.894 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.218 2.391 -22.739 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.721 2.135 -25.547 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.510 3.259 -24.961 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.374 4.520 -23.749 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.531 3.466 -24.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.214 5.512 -25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.672 4.184 -26.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.551 5.205 -25.935 1.00 0.00 H new ATOM 740 N ALA A 39 -1.916 0.455 -23.211 1.00 0.00 N ATOM 741 CA ALA A 39 -3.213 0.472 -23.958 1.00 0.00 C ATOM 742 C ALA A 39 -4.051 1.647 -23.592 1.00 0.00 C ATOM 743 O ALA A 39 -3.606 2.565 -22.937 1.00 0.00 O ATOM 744 CB ALA A 39 -3.943 -0.818 -23.637 1.00 0.00 C ATOM 0 H ALA A 39 -1.934 0.902 -22.294 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.014 0.553 -25.027 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.895 -0.839 -24.167 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.336 -1.667 -23.950 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.123 -0.877 -22.564 1.00 0.00 H new ATOM 750 N GLU A 40 -5.261 1.658 -24.076 1.00 0.00 N ATOM 751 CA GLU A 40 -6.123 2.803 -23.828 1.00 0.00 C ATOM 752 C GLU A 40 -7.596 2.409 -23.827 1.00 0.00 C ATOM 753 O GLU A 40 -8.090 1.725 -24.699 1.00 0.00 O ATOM 754 CB GLU A 40 -5.780 3.854 -24.890 1.00 0.00 C ATOM 755 CG GLU A 40 -6.931 4.109 -25.887 1.00 0.00 C ATOM 756 CD GLU A 40 -6.562 5.271 -26.813 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.859 6.161 -26.365 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.990 5.249 -27.955 1.00 0.00 O ATOM 0 H GLU A 40 -5.675 0.911 -24.633 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.951 3.218 -22.835 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.522 4.790 -24.395 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.896 3.530 -25.440 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.123 3.211 -26.473 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.849 4.339 -25.347 1.00 0.00 H new ATOM 765 N LEU A 41 -8.276 2.878 -22.853 1.00 0.00 N ATOM 766 CA LEU A 41 -9.729 2.589 -22.721 1.00 0.00 C ATOM 767 C LEU A 41 -10.569 3.757 -23.107 1.00 0.00 C ATOM 768 O LEU A 41 -10.834 4.659 -22.339 1.00 0.00 O ATOM 769 CB LEU A 41 -10.058 2.166 -21.307 1.00 0.00 C ATOM 770 CG LEU A 41 -9.927 0.669 -21.229 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.666 0.247 -19.780 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.223 0.047 -21.742 1.00 0.00 C ATOM 0 H LEU A 41 -7.890 3.467 -22.115 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.957 1.773 -23.407 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.382 2.645 -20.599 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.069 2.475 -21.042 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.090 0.328 -21.839 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.572 -0.838 -19.728 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.744 0.709 -19.427 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.496 0.569 -19.152 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.149 -1.039 -21.694 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.057 0.382 -21.125 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.390 0.354 -22.774 1.00 0.00 H new ATOM 784 N ASN A 42 -11.034 3.695 -24.298 1.00 0.00 N ATOM 785 CA ASN A 42 -11.941 4.738 -24.845 1.00 0.00 C ATOM 786 C ASN A 42 -11.502 6.183 -24.506 1.00 0.00 C ATOM 787 O ASN A 42 -12.319 7.089 -24.515 1.00 0.00 O ATOM 788 CB ASN A 42 -13.316 4.510 -24.262 1.00 0.00 C ATOM 789 CG ASN A 42 -14.122 3.572 -25.164 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.591 2.616 -25.695 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.391 3.806 -25.361 1.00 0.00 N ATOM 0 H ASN A 42 -10.822 2.940 -24.951 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.923 4.648 -25.931 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.229 4.081 -23.264 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.837 5.462 -24.156 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.937 3.187 -25.960 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.837 4.608 -24.916 1.00 0.00 H new ATOM 798 N GLY A 43 -10.254 6.409 -24.214 1.00 0.00 N ATOM 799 CA GLY A 43 -9.810 7.804 -23.882 1.00 0.00 C ATOM 800 C GLY A 43 -8.635 7.778 -22.903 1.00 0.00 C ATOM 801 O GLY A 43 -7.718 8.574 -23.012 1.00 0.00 O ATOM 0 H GLY A 43 -9.522 5.700 -24.189 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.519 8.325 -24.794 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.640 8.362 -23.448 1.00 0.00 H new ATOM 805 N LYS A 44 -8.639 6.863 -21.956 1.00 0.00 N ATOM 806 CA LYS A 44 -7.536 6.783 -21.003 1.00 0.00 C ATOM 807 C LYS A 44 -6.506 5.872 -21.574 1.00 0.00 C ATOM 808 O LYS A 44 -6.699 5.282 -22.617 1.00 0.00 O ATOM 809 CB LYS A 44 -8.016 6.223 -19.676 1.00 0.00 C ATOM 810 CG LYS A 44 -8.463 7.373 -18.789 1.00 0.00 C ATOM 811 CD LYS A 44 -9.474 6.872 -17.753 1.00 0.00 C ATOM 812 CE LYS A 44 -10.741 6.383 -18.461 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.938 6.758 -17.656 1.00 0.00 N ATOM 0 H LYS A 44 -9.377 6.172 -21.821 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.128 7.778 -20.829 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.840 5.528 -19.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.216 5.663 -19.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.601 7.812 -18.286 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.911 8.159 -19.397 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.038 6.063 -17.167 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.722 7.672 -17.056 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.807 6.823 -19.456 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.702 5.302 -18.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.798 6.426 -18.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.876 6.318 -16.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.977 7.792 -17.553 1.00 0.00 H new ATOM 827 N ASP A 45 -5.409 5.757 -20.912 1.00 0.00 N ATOM 828 CA ASP A 45 -4.337 4.890 -21.409 1.00 0.00 C ATOM 829 C ASP A 45 -3.213 4.708 -20.369 1.00 0.00 C ATOM 830 O ASP A 45 -3.261 5.222 -19.269 1.00 0.00 O ATOM 831 CB ASP A 45 -3.812 5.514 -22.727 1.00 0.00 C ATOM 832 CG ASP A 45 -2.501 6.318 -22.534 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.520 7.269 -21.769 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.514 5.961 -23.154 1.00 0.00 O ATOM 0 H ASP A 45 -5.207 6.235 -20.034 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.722 3.887 -21.596 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.642 4.721 -23.456 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.577 6.170 -23.142 1.00 0.00 H new ATOM 839 N GLY A 46 -2.190 3.990 -20.758 1.00 0.00 N ATOM 840 CA GLY A 46 -1.023 3.765 -19.863 1.00 0.00 C ATOM 841 C GLY A 46 -0.768 2.266 -19.659 1.00 0.00 C ATOM 842 O GLY A 46 -1.391 1.431 -20.273 1.00 0.00 O ATOM 0 H GLY A 46 -2.117 3.545 -21.673 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.137 4.233 -20.291 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.202 4.242 -18.899 1.00 0.00 H new ATOM 846 N PHE A 47 0.174 1.937 -18.809 1.00 0.00 N ATOM 847 CA PHE A 47 0.526 0.501 -18.564 1.00 0.00 C ATOM 848 C PHE A 47 -0.565 -0.213 -17.760 1.00 0.00 C ATOM 849 O PHE A 47 -1.247 0.384 -16.957 1.00 0.00 O ATOM 850 CB PHE A 47 1.834 0.447 -17.776 1.00 0.00 C ATOM 851 CG PHE A 47 2.943 1.041 -18.609 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.398 0.371 -19.750 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.512 2.266 -18.243 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.422 0.926 -20.525 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.536 2.822 -19.019 1.00 0.00 C ATOM 856 CZ PHE A 47 4.991 2.152 -20.161 1.00 0.00 C ATOM 0 H PHE A 47 0.720 2.608 -18.269 1.00 0.00 H new ATOM 0 HA PHE A 47 0.626 -0.000 -19.527 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.731 0.997 -16.841 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.072 -0.584 -17.515 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.959 -0.574 -20.032 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.161 2.783 -17.362 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.774 0.408 -21.405 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.975 3.768 -18.737 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.780 2.581 -20.761 1.00 0.00 H new ATOM 866 N ILE A 48 -0.710 -1.509 -17.959 1.00 0.00 N ATOM 867 CA ILE A 48 -1.726 -2.285 -17.193 1.00 0.00 C ATOM 868 C ILE A 48 -1.106 -3.650 -16.847 1.00 0.00 C ATOM 869 O ILE A 48 -0.530 -4.266 -17.701 1.00 0.00 O ATOM 870 CB ILE A 48 -3.011 -2.514 -18.017 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.670 -2.681 -19.540 1.00 0.00 C ATOM 872 CG2 ILE A 48 -4.001 -1.362 -17.761 1.00 0.00 C ATOM 873 CD1 ILE A 48 -2.617 -1.330 -20.270 1.00 0.00 C ATOM 0 H ILE A 48 -0.162 -2.056 -18.623 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.000 -1.725 -16.299 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.489 -3.441 -17.700 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.710 -3.187 -19.643 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.418 -3.318 -20.011 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.908 -1.525 -18.344 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.252 -1.327 -16.701 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.545 -0.417 -18.057 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.378 -1.493 -21.321 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.585 -0.835 -20.191 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.850 -0.701 -19.817 1.00 0.00 H new ATOM 885 N PRO A 49 -1.224 -4.097 -15.607 1.00 0.00 N ATOM 886 CA PRO A 49 -0.647 -5.378 -15.213 1.00 0.00 C ATOM 887 C PRO A 49 -1.390 -6.545 -15.848 1.00 0.00 C ATOM 888 O PRO A 49 -2.502 -6.839 -15.527 1.00 0.00 O ATOM 889 CB PRO A 49 -0.741 -5.396 -13.689 1.00 0.00 C ATOM 890 CG PRO A 49 -1.839 -4.360 -13.318 1.00 0.00 C ATOM 891 CD PRO A 49 -1.931 -3.392 -14.523 1.00 0.00 C ATOM 0 HA PRO A 49 0.383 -5.486 -15.552 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.003 -6.390 -13.325 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.214 -5.132 -13.236 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.795 -4.851 -13.137 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.579 -3.824 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.967 -3.187 -14.791 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.463 -2.433 -14.300 1.00 0.00 H new ATOM 899 N LYS A 50 -0.739 -7.183 -16.768 1.00 0.00 N ATOM 900 CA LYS A 50 -1.294 -8.354 -17.510 1.00 0.00 C ATOM 901 C LYS A 50 -2.010 -9.383 -16.598 1.00 0.00 C ATOM 902 O LYS A 50 -2.783 -10.179 -17.087 1.00 0.00 O ATOM 903 CB LYS A 50 -0.125 -9.045 -18.173 1.00 0.00 C ATOM 904 CG LYS A 50 -0.599 -9.865 -19.354 1.00 0.00 C ATOM 905 CD LYS A 50 0.628 -10.326 -20.144 1.00 0.00 C ATOM 906 CE LYS A 50 0.394 -11.742 -20.677 1.00 0.00 C ATOM 907 NZ LYS A 50 0.982 -12.735 -19.734 1.00 0.00 N ATOM 0 H LYS A 50 0.207 -6.931 -17.055 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.039 -7.987 -18.215 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.603 -8.305 -18.505 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.381 -9.689 -17.454 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.175 -10.725 -19.012 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.258 -9.272 -19.988 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.818 -9.642 -20.971 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.512 -10.308 -19.506 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.674 -11.925 -20.795 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.846 -11.850 -21.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.822 -13.696 -20.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.004 -12.565 -19.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.531 -12.638 -18.802 1.00 0.00 H new ATOM 921 N ASN A 51 -1.747 -9.407 -15.300 1.00 0.00 N ATOM 922 CA ASN A 51 -2.407 -10.390 -14.423 1.00 0.00 C ATOM 923 C ASN A 51 -3.919 -10.170 -14.439 1.00 0.00 C ATOM 924 O ASN A 51 -4.701 -11.099 -14.372 1.00 0.00 O ATOM 925 CB ASN A 51 -1.861 -10.223 -13.041 1.00 0.00 C ATOM 926 CG ASN A 51 -0.637 -11.124 -12.842 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.495 -11.755 -11.813 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.258 -11.211 -13.787 1.00 0.00 N ATOM 0 H ASN A 51 -1.098 -8.777 -14.829 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.213 -11.404 -14.773 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.586 -9.182 -12.874 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.628 -10.471 -12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.076 -11.808 -13.662 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.140 -10.682 -14.651 1.00 0.00 H new ATOM 935 N TYR A 52 -4.318 -8.944 -14.557 1.00 0.00 N ATOM 936 CA TYR A 52 -5.755 -8.593 -14.621 1.00 0.00 C ATOM 937 C TYR A 52 -6.123 -8.402 -16.073 1.00 0.00 C ATOM 938 O TYR A 52 -6.966 -7.581 -16.406 1.00 0.00 O ATOM 939 CB TYR A 52 -5.974 -7.262 -13.898 1.00 0.00 C ATOM 940 CG TYR A 52 -5.880 -7.396 -12.438 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.716 -7.855 -11.834 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.952 -6.998 -11.684 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.644 -7.913 -10.455 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.898 -7.052 -10.315 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.738 -7.508 -9.680 1.00 0.00 C ATOM 946 OH TYR A 52 -5.674 -7.564 -8.302 1.00 0.00 O ATOM 0 H TYR A 52 -3.687 -8.144 -14.614 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.357 -9.376 -14.161 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.235 -6.539 -14.242 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.955 -6.865 -14.161 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.875 -8.164 -12.437 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.846 -6.639 -12.171 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.745 -8.270 -9.975 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.750 -6.743 -9.728 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.519 -7.245 -7.922 1.00 0.00 H new ATOM 956 N ILE A 53 -5.478 -9.121 -16.958 1.00 0.00 N ATOM 957 CA ILE A 53 -5.772 -8.945 -18.386 1.00 0.00 C ATOM 958 C ILE A 53 -5.316 -10.154 -19.203 1.00 0.00 C ATOM 959 O ILE A 53 -4.657 -11.054 -18.723 1.00 0.00 O ATOM 960 CB ILE A 53 -5.041 -7.707 -18.967 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.447 -6.811 -17.874 1.00 0.00 C ATOM 962 CG2 ILE A 53 -6.005 -6.876 -19.803 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.582 -5.761 -18.533 1.00 0.00 C ATOM 0 H ILE A 53 -4.765 -9.817 -16.740 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.852 -8.820 -18.457 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.224 -8.085 -19.581 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.242 -6.339 -17.297 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.857 -7.405 -17.176 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.482 -6.009 -20.207 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.390 -7.482 -20.623 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.833 -6.542 -19.178 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.151 -5.114 -17.770 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.782 -6.247 -19.091 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.189 -5.164 -19.214 1.00 0.00 H new ATOM 975 N GLU A 54 -5.619 -10.108 -20.468 1.00 0.00 N ATOM 976 CA GLU A 54 -5.197 -11.138 -21.405 1.00 0.00 C ATOM 977 C GLU A 54 -5.038 -10.452 -22.762 1.00 0.00 C ATOM 978 O GLU A 54 -5.580 -9.378 -22.984 1.00 0.00 O ATOM 979 CB GLU A 54 -6.214 -12.254 -21.480 1.00 0.00 C ATOM 980 CG GLU A 54 -5.624 -13.545 -20.897 1.00 0.00 C ATOM 981 CD GLU A 54 -4.628 -14.144 -21.890 1.00 0.00 C ATOM 982 OE1 GLU A 54 -5.071 -14.683 -22.891 1.00 0.00 O ATOM 983 OE2 GLU A 54 -3.439 -14.054 -21.633 1.00 0.00 O ATOM 0 H GLU A 54 -6.166 -9.358 -20.891 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.260 -11.594 -21.085 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.113 -11.975 -20.930 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.512 -12.416 -22.516 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.128 -13.335 -19.950 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.420 -14.260 -20.688 1.00 0.00 H new ATOM 990 N MET A 55 -4.276 -11.028 -23.641 1.00 0.00 N ATOM 991 CA MET A 55 -4.018 -10.361 -24.964 1.00 0.00 C ATOM 992 C MET A 55 -4.893 -10.899 -26.095 1.00 0.00 C ATOM 993 O MET A 55 -4.677 -11.986 -26.599 1.00 0.00 O ATOM 994 CB MET A 55 -2.548 -10.565 -25.340 1.00 0.00 C ATOM 995 CG MET A 55 -2.039 -9.339 -26.098 1.00 0.00 C ATOM 996 SD MET A 55 -0.305 -9.588 -26.553 1.00 0.00 S ATOM 997 CE MET A 55 -0.592 -10.678 -27.967 1.00 0.00 C ATOM 0 H MET A 55 -3.816 -11.929 -23.512 1.00 0.00 H new ATOM 0 HA MET A 55 -4.263 -9.306 -24.843 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.951 -10.724 -24.442 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.440 -11.457 -25.957 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.641 -9.175 -26.992 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.139 -8.448 -25.479 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.074 -11.624 -27.808 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.661 -10.863 -28.073 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.214 -10.205 -28.873 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.860 -10.116 -26.524 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.718 -10.520 -27.630 1.00 0.00 C ATOM 1009 C LYS A 56 -6.279 -9.858 -28.942 1.00 0.00 C ATOM 1010 O LYS A 56 -5.697 -8.778 -28.935 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.135 -10.140 -27.320 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.813 -11.290 -26.606 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.325 -11.222 -26.841 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.894 -9.951 -26.205 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.234 -9.635 -26.801 1.00 0.00 N ATOM 0 H LYS A 56 -6.075 -9.200 -26.130 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.640 -11.600 -27.754 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.157 -9.246 -26.697 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.670 -9.901 -28.239 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.421 -12.239 -26.970 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.599 -11.245 -25.538 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.536 -11.230 -27.910 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.808 -12.101 -26.414 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.988 -10.085 -25.127 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.210 -9.117 -26.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.279 -8.623 -27.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.372 -10.199 -27.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.982 -9.864 -26.115 1.00 0.00 H new ATOM 1029 N PRO A 57 -6.572 -10.542 -30.051 1.00 0.00 N ATOM 1030 CA PRO A 57 -6.209 -10.067 -31.367 1.00 0.00 C ATOM 1031 C PRO A 57 -7.135 -8.939 -31.830 1.00 0.00 C ATOM 1032 O PRO A 57 -7.871 -8.368 -31.046 1.00 0.00 O ATOM 1033 CB PRO A 57 -6.345 -11.290 -32.260 1.00 0.00 C ATOM 1034 CG PRO A 57 -7.300 -12.244 -31.527 1.00 0.00 C ATOM 1035 CD PRO A 57 -7.294 -11.832 -30.065 1.00 0.00 C ATOM 0 HA PRO A 57 -5.204 -9.646 -31.389 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.741 -11.017 -33.238 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.376 -11.760 -32.428 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.306 -12.180 -31.943 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.975 -13.278 -31.639 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.307 -11.725 -29.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.793 -12.575 -29.445 1.00 0.00 H new ATOM 1043 N HIS A 58 -7.103 -8.616 -33.104 1.00 0.00 N ATOM 1044 CA HIS A 58 -7.979 -7.527 -33.627 1.00 0.00 C ATOM 1045 C HIS A 58 -8.408 -7.862 -35.083 1.00 0.00 C ATOM 1046 O HIS A 58 -7.569 -8.214 -35.889 1.00 0.00 O ATOM 1047 CB HIS A 58 -7.199 -6.201 -33.613 1.00 0.00 C ATOM 1048 CG HIS A 58 -8.079 -5.096 -33.085 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.937 -4.376 -33.903 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -8.246 -4.582 -31.823 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -9.577 -3.478 -33.129 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -9.191 -3.562 -31.852 1.00 0.00 N ATOM 0 H HIS A 58 -6.506 -9.062 -33.801 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.867 -7.437 -33.001 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.309 -6.298 -32.991 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.859 -5.958 -34.620 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.722 -4.919 -30.941 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.312 -2.776 -33.495 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.519 -2.999 -31.067 1.00 0.00 H new ATOM 1060 N PRO A 59 -9.706 -7.745 -35.392 1.00 0.00 N ATOM 1061 CA PRO A 59 -10.207 -8.038 -36.743 1.00 0.00 C ATOM 1062 C PRO A 59 -9.939 -6.854 -37.681 1.00 0.00 C ATOM 1063 O PRO A 59 -10.008 -5.706 -37.281 1.00 0.00 O ATOM 1064 CB PRO A 59 -11.712 -8.233 -36.545 1.00 0.00 C ATOM 1065 CG PRO A 59 -12.079 -7.487 -35.232 1.00 0.00 C ATOM 1066 CD PRO A 59 -10.765 -7.324 -34.441 1.00 0.00 C ATOM 0 HA PRO A 59 -9.725 -8.906 -37.193 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.271 -7.831 -37.390 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.961 -9.292 -36.473 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.525 -6.516 -35.449 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.811 -8.053 -34.656 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.621 -6.293 -34.118 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.762 -7.943 -33.544 1.00 0.00 H new ATOM 1074 N GLU A 60 -9.633 -7.126 -38.929 1.00 0.00 N ATOM 1075 CA GLU A 60 -9.356 -6.012 -39.910 1.00 0.00 C ATOM 1076 C GLU A 60 -10.531 -5.010 -39.933 1.00 0.00 C ATOM 1077 O GLU A 60 -10.366 -3.851 -39.599 1.00 0.00 O ATOM 1078 CB GLU A 60 -9.122 -6.572 -41.340 1.00 0.00 C ATOM 1079 CG GLU A 60 -10.022 -7.798 -41.625 1.00 0.00 C ATOM 1080 CD GLU A 60 -10.782 -7.592 -42.938 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -10.159 -7.178 -43.903 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -11.973 -7.852 -42.958 1.00 0.00 O ATOM 0 H GLU A 60 -9.562 -8.067 -39.315 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.451 -5.499 -39.584 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.325 -5.792 -42.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.075 -6.854 -41.454 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.414 -8.701 -41.684 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.726 -7.941 -40.806 1.00 0.00 H new ATOM 1089 N PHE A 61 -11.710 -5.445 -40.322 1.00 0.00 N ATOM 1090 CA PHE A 61 -12.883 -4.516 -40.361 1.00 0.00 C ATOM 1091 C PHE A 61 -14.144 -5.268 -39.922 1.00 0.00 C ATOM 1092 O PHE A 61 -14.155 -6.483 -39.843 1.00 0.00 O ATOM 1093 CB PHE A 61 -13.074 -3.993 -41.788 1.00 0.00 C ATOM 1094 CG PHE A 61 -11.927 -3.081 -42.154 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -11.650 -1.954 -41.370 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -11.141 -3.360 -43.278 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -10.589 -1.107 -41.710 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -10.079 -2.515 -43.619 1.00 0.00 C ATOM 1099 CZ PHE A 61 -9.803 -1.387 -42.835 1.00 0.00 C ATOM 0 H PHE A 61 -11.908 -6.402 -40.613 1.00 0.00 H new ATOM 0 HA PHE A 61 -12.705 -3.678 -39.687 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -13.125 -4.827 -42.488 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -14.018 -3.454 -41.865 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -12.256 -1.738 -40.502 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -11.354 -4.229 -43.883 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.376 -0.238 -41.105 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.473 -2.732 -44.486 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.984 -0.734 -43.098 1.00 0.00 H new ATOM 1109 N ILE A 62 -15.208 -4.553 -39.637 1.00 0.00 N ATOM 1110 CA ILE A 62 -16.473 -5.225 -39.202 1.00 0.00 C ATOM 1111 C ILE A 62 -17.569 -4.983 -40.245 1.00 0.00 C ATOM 1112 O ILE A 62 -18.172 -3.925 -40.292 1.00 0.00 O ATOM 1113 CB ILE A 62 -16.925 -4.663 -37.846 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -16.911 -3.120 -37.885 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -15.977 -5.159 -36.749 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -18.204 -2.578 -37.268 1.00 0.00 C ATOM 0 H ILE A 62 -15.254 -3.535 -39.687 1.00 0.00 H new ATOM 0 HA ILE A 62 -16.292 -6.295 -39.105 1.00 0.00 H new ATOM 0 HB ILE A 62 -17.939 -5.004 -37.635 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -16.048 -2.740 -37.338 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -16.814 -2.773 -38.914 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.296 -4.761 -35.785 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -15.997 -6.248 -36.716 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -14.963 -4.821 -36.964 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -18.192 -1.488 -37.297 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -19.060 -2.946 -37.834 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -18.282 -2.913 -36.234 1.00 0.00 H new ATOM 1128 N VAL A 63 -17.831 -5.959 -41.082 1.00 0.00 N ATOM 1129 CA VAL A 63 -18.889 -5.796 -42.128 1.00 0.00 C ATOM 1130 C VAL A 63 -20.254 -5.655 -41.452 1.00 0.00 C ATOM 1131 O VAL A 63 -20.668 -6.508 -40.688 1.00 0.00 O ATOM 1132 CB VAL A 63 -18.898 -7.026 -43.039 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -19.855 -6.790 -44.209 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -17.487 -7.273 -43.580 1.00 0.00 C ATOM 0 H VAL A 63 -17.357 -6.862 -41.085 1.00 0.00 H new ATOM 0 HA VAL A 63 -18.681 -4.905 -42.721 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.227 -7.895 -42.469 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.861 -7.666 -44.857 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.861 -6.615 -43.827 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.527 -5.920 -44.778 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -17.494 -8.149 -44.229 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.158 -6.403 -44.149 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -16.803 -7.443 -42.748 1.00 0.00 H new ATOM 1144 N THR A 64 -20.958 -4.582 -41.728 1.00 0.00 N ATOM 1145 CA THR A 64 -22.301 -4.381 -41.103 1.00 0.00 C ATOM 1146 C THR A 64 -23.260 -3.768 -42.127 1.00 0.00 C ATOM 1147 O THR A 64 -24.323 -4.300 -42.389 1.00 0.00 O ATOM 1148 CB THR A 64 -22.169 -3.439 -39.904 1.00 0.00 C ATOM 1149 OG1 THR A 64 -21.217 -2.426 -40.200 1.00 0.00 O ATOM 1150 CG2 THR A 64 -21.709 -4.232 -38.682 1.00 0.00 C ATOM 0 H THR A 64 -20.659 -3.838 -42.359 1.00 0.00 H new ATOM 0 HA THR A 64 -22.692 -5.343 -40.772 1.00 0.00 H new ATOM 0 HB THR A 64 -23.135 -2.979 -39.695 1.00 0.00 H new ATOM 0 HG1 THR A 64 -21.133 -1.822 -39.433 1.00 0.00 H new ATOM 0 HG21 THR A 64 -21.615 -3.562 -37.828 1.00 0.00 H new ATOM 0 HG22 THR A 64 -22.440 -5.008 -38.455 1.00 0.00 H new ATOM 0 HG23 THR A 64 -20.743 -4.693 -38.890 1.00 0.00 H new ATOM 1158 N ASP A 65 -22.889 -2.651 -42.703 1.00 0.00 N ATOM 1159 CA ASP A 65 -23.774 -1.991 -43.710 1.00 0.00 C ATOM 1160 C ASP A 65 -23.242 -2.270 -45.118 1.00 0.00 C ATOM 1161 O ASP A 65 -23.725 -1.643 -46.047 1.00 0.00 O ATOM 1162 CB ASP A 65 -23.793 -0.482 -43.459 1.00 0.00 C ATOM 1163 CG ASP A 65 -24.950 0.151 -44.233 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -26.065 -0.317 -44.080 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -24.700 1.095 -44.965 1.00 0.00 O ATOM 1166 OXT ASP A 65 -22.361 -3.104 -45.243 1.00 0.00 O ATOM 0 H ASP A 65 -22.010 -2.168 -42.518 1.00 0.00 H new ATOM 0 HA ASP A 65 -24.786 -2.386 -43.621 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -23.902 -0.282 -42.393 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.847 -0.039 -43.771 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -10.867 -12.930 -6.536 1.00 0.00 N ATOM 1173 CA SER B 1 -11.638 -13.447 -5.358 1.00 0.00 C ATOM 1174 C SER B 1 -10.771 -14.455 -4.550 1.00 0.00 C ATOM 1175 O SER B 1 -10.615 -14.290 -3.357 1.00 0.00 O ATOM 1176 CB SER B 1 -12.948 -14.115 -5.847 1.00 0.00 C ATOM 1177 OG SER B 1 -13.282 -15.232 -5.018 1.00 0.00 O ATOM 0 H1 SER B 1 -11.001 -11.902 -6.614 1.00 0.00 H new ATOM 0 H2 SER B 1 -9.856 -13.139 -6.408 1.00 0.00 H new ATOM 0 H3 SER B 1 -11.208 -13.391 -7.404 1.00 0.00 H new ATOM 0 HA SER B 1 -11.894 -12.616 -4.700 1.00 0.00 H new ATOM 0 HB2 SER B 1 -13.761 -13.389 -5.833 1.00 0.00 H new ATOM 0 HB3 SER B 1 -12.832 -14.443 -6.880 1.00 0.00 H new ATOM 0 HG SER B 1 -14.112 -15.641 -5.339 1.00 0.00 H new ATOM 1185 N PRO B 2 -10.225 -15.477 -5.213 1.00 0.00 N ATOM 1186 CA PRO B 2 -9.394 -16.472 -4.531 1.00 0.00 C ATOM 1187 C PRO B 2 -7.991 -15.911 -4.271 1.00 0.00 C ATOM 1188 O PRO B 2 -7.422 -16.116 -3.215 1.00 0.00 O ATOM 1189 CB PRO B 2 -9.344 -17.650 -5.506 1.00 0.00 C ATOM 1190 CG PRO B 2 -9.659 -17.066 -6.908 1.00 0.00 C ATOM 1191 CD PRO B 2 -10.382 -15.723 -6.667 1.00 0.00 C ATOM 0 HA PRO B 2 -9.791 -16.759 -3.557 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.363 -18.124 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.071 -18.414 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.744 -16.917 -7.482 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -10.287 -17.748 -7.481 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.938 -14.921 -7.256 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -11.433 -15.781 -6.949 1.00 0.00 H new ATOM 1199 N LEU B 3 -7.429 -15.201 -5.226 1.00 0.00 N ATOM 1200 CA LEU B 3 -6.063 -14.629 -5.024 1.00 0.00 C ATOM 1201 C LEU B 3 -6.040 -13.136 -5.483 1.00 0.00 C ATOM 1202 O LEU B 3 -6.506 -12.271 -4.763 1.00 0.00 O ATOM 1203 CB LEU B 3 -5.025 -15.495 -5.795 1.00 0.00 C ATOM 1204 CG LEU B 3 -3.616 -15.415 -5.139 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -2.569 -15.871 -6.158 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -3.277 -13.976 -4.695 1.00 0.00 C ATOM 0 H LEU B 3 -7.857 -14.996 -6.129 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.797 -14.648 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -5.359 -16.532 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -4.965 -15.158 -6.830 1.00 0.00 H new ATOM 0 HG LEU B 3 -3.614 -16.057 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -1.577 -15.819 -5.709 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -2.777 -16.898 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -2.606 -15.222 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -2.286 -13.959 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -3.291 -13.315 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -4.015 -13.636 -3.968 1.00 0.00 H new ATOM 1218 N LEU B 4 -5.503 -12.813 -6.659 1.00 0.00 N ATOM 1219 CA LEU B 4 -5.465 -11.380 -7.109 1.00 0.00 C ATOM 1220 C LEU B 4 -4.740 -10.522 -6.044 1.00 0.00 C ATOM 1221 O LEU B 4 -5.387 -9.894 -5.230 1.00 0.00 O ATOM 1222 CB LEU B 4 -6.898 -10.863 -7.304 1.00 0.00 C ATOM 1223 CG LEU B 4 -7.255 -10.892 -8.793 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -7.807 -12.269 -9.160 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -8.314 -9.827 -9.083 1.00 0.00 C ATOM 0 H LEU B 4 -5.096 -13.481 -7.313 1.00 0.00 H new ATOM 0 HA LEU B 4 -4.927 -11.311 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -7.598 -11.479 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.985 -9.847 -6.918 1.00 0.00 H new ATOM 0 HG LEU B 4 -6.362 -10.690 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.061 -12.289 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.054 -13.030 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -8.700 -12.472 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -8.569 -9.847 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -9.206 -10.031 -8.491 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -7.922 -8.844 -8.822 1.00 0.00 H new ATOM 1237 N PRO B 5 -3.407 -10.525 -6.070 1.00 0.00 N ATOM 1238 CA PRO B 5 -2.613 -9.761 -5.104 1.00 0.00 C ATOM 1239 C PRO B 5 -2.534 -8.290 -5.520 1.00 0.00 C ATOM 1240 O PRO B 5 -2.527 -7.968 -6.695 1.00 0.00 O ATOM 1241 CB PRO B 5 -1.229 -10.411 -5.167 1.00 0.00 C ATOM 1242 CG PRO B 5 -1.138 -11.109 -6.553 1.00 0.00 C ATOM 1243 CD PRO B 5 -2.590 -11.283 -7.051 1.00 0.00 C ATOM 0 HA PRO B 5 -3.040 -9.776 -4.101 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -0.443 -9.664 -5.055 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -1.101 -11.132 -4.359 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -0.557 -10.508 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -0.638 -12.074 -6.470 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -2.714 -10.890 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -2.877 -12.334 -7.080 1.00 0.00 H new ATOM 1251 N LYS B 6 -2.465 -7.396 -4.564 1.00 0.00 N ATOM 1252 CA LYS B 6 -2.375 -5.944 -4.894 1.00 0.00 C ATOM 1253 C LYS B 6 -0.960 -5.626 -5.374 1.00 0.00 C ATOM 1254 O LYS B 6 -0.073 -5.371 -4.585 1.00 0.00 O ATOM 1255 CB LYS B 6 -2.684 -5.117 -3.645 1.00 0.00 C ATOM 1256 CG LYS B 6 -4.138 -5.343 -3.231 1.00 0.00 C ATOM 1257 CD LYS B 6 -5.053 -4.479 -4.097 1.00 0.00 C ATOM 1258 CE LYS B 6 -6.417 -5.157 -4.234 1.00 0.00 C ATOM 1259 NZ LYS B 6 -7.037 -5.306 -2.886 1.00 0.00 N ATOM 0 H LYS B 6 -2.467 -7.612 -3.567 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.093 -5.701 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.015 -5.401 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.512 -4.059 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -4.400 -6.395 -3.343 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -4.271 -5.092 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.169 -3.492 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.608 -4.332 -5.081 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -7.065 -4.566 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -6.304 -6.134 -4.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -8.036 -5.575 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -6.534 -6.043 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -6.974 -4.403 -2.373 1.00 0.00 H new ATOM 1273 N LEU B 7 -0.741 -5.640 -6.672 1.00 0.00 N ATOM 1274 CA LEU B 7 0.625 -5.342 -7.227 1.00 0.00 C ATOM 1275 C LEU B 7 1.175 -4.020 -6.618 1.00 0.00 C ATOM 1276 O LEU B 7 0.700 -2.957 -6.964 1.00 0.00 O ATOM 1277 CB LEU B 7 0.520 -5.192 -8.745 1.00 0.00 C ATOM 1278 CG LEU B 7 0.114 -6.532 -9.359 1.00 0.00 C ATOM 1279 CD1 LEU B 7 -0.591 -6.292 -10.696 1.00 0.00 C ATOM 1280 CD2 LEU B 7 1.365 -7.383 -9.583 1.00 0.00 C ATOM 0 H LEU B 7 -1.452 -5.846 -7.374 1.00 0.00 H new ATOM 0 HA LEU B 7 1.303 -6.157 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.214 -4.427 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.475 -4.865 -9.156 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.566 -7.052 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.880 -7.248 -11.132 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.481 -5.684 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.085 -5.773 -11.376 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.081 -8.340 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU B 7 2.043 -6.862 -10.259 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.864 -7.554 -8.629 1.00 0.00 H new ATOM 1292 N PRO B 8 2.160 -4.115 -5.714 1.00 0.00 N ATOM 1293 CA PRO B 8 2.733 -2.923 -5.075 1.00 0.00 C ATOM 1294 C PRO B 8 3.754 -2.237 -6.019 1.00 0.00 C ATOM 1295 O PRO B 8 4.414 -2.909 -6.787 1.00 0.00 O ATOM 1296 CB PRO B 8 3.437 -3.475 -3.831 1.00 0.00 C ATOM 1297 CG PRO B 8 3.725 -4.975 -4.120 1.00 0.00 C ATOM 1298 CD PRO B 8 2.773 -5.390 -5.262 1.00 0.00 C ATOM 0 HA PRO B 8 1.982 -2.170 -4.836 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.362 -2.933 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO B 8 2.809 -3.363 -2.947 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.766 -5.122 -4.409 1.00 0.00 H new ATOM 0 HG3 PRO B 8 3.553 -5.582 -3.231 1.00 0.00 H new ATOM 0 HD2 PRO B 8 3.314 -5.880 -6.072 1.00 0.00 H new ATOM 0 HD3 PRO B 8 2.016 -6.093 -4.913 1.00 0.00 H new ATOM 1306 N PRO B 9 3.863 -0.905 -5.937 1.00 0.00 N ATOM 1307 CA PRO B 9 4.802 -0.150 -6.780 1.00 0.00 C ATOM 1308 C PRO B 9 6.235 -0.197 -6.206 1.00 0.00 C ATOM 1309 O PRO B 9 7.127 0.457 -6.715 1.00 0.00 O ATOM 1310 CB PRO B 9 4.262 1.283 -6.732 1.00 0.00 C ATOM 1311 CG PRO B 9 3.415 1.389 -5.433 1.00 0.00 C ATOM 1312 CD PRO B 9 3.066 -0.056 -5.019 1.00 0.00 C ATOM 0 HA PRO B 9 4.867 -0.555 -7.790 1.00 0.00 H new ATOM 0 HB2 PRO B 9 5.078 2.006 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO B 9 3.654 1.499 -7.611 1.00 0.00 H new ATOM 0 HG2 PRO B 9 3.974 1.894 -4.645 1.00 0.00 H new ATOM 0 HG3 PRO B 9 2.511 1.972 -5.606 1.00 0.00 H new ATOM 0 HD2 PRO B 9 3.326 -0.245 -3.977 1.00 0.00 H new ATOM 0 HD3 PRO B 9 1.999 -0.252 -5.122 1.00 0.00 H new ATOM 1320 N LYS B 10 6.462 -0.954 -5.149 1.00 0.00 N ATOM 1321 CA LYS B 10 7.834 -1.024 -4.555 1.00 0.00 C ATOM 1322 C LYS B 10 8.586 -2.236 -5.118 1.00 0.00 C ATOM 1323 O LYS B 10 9.341 -2.885 -4.420 1.00 0.00 O ATOM 1324 CB LYS B 10 7.720 -1.159 -3.034 1.00 0.00 C ATOM 1325 CG LYS B 10 7.723 0.231 -2.394 1.00 0.00 C ATOM 1326 CD LYS B 10 6.958 0.187 -1.068 1.00 0.00 C ATOM 1327 CE LYS B 10 7.532 1.234 -0.111 1.00 0.00 C ATOM 1328 NZ LYS B 10 7.008 0.994 1.263 1.00 0.00 N ATOM 0 H LYS B 10 5.757 -1.521 -4.678 1.00 0.00 H new ATOM 0 HA LYS B 10 8.381 -0.115 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.804 -1.688 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.550 -1.750 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.747 0.562 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS B 10 7.262 0.954 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.899 0.379 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS B 10 7.034 -0.806 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.621 1.183 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS B 10 7.260 2.235 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 7.399 1.706 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 5.970 1.064 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 7.289 0.044 1.581 1.00 0.00 H new ATOM 1342 N THR B 11 8.388 -2.546 -6.383 1.00 0.00 N ATOM 1343 CA THR B 11 9.094 -3.723 -7.013 1.00 0.00 C ATOM 1344 C THR B 11 8.916 -4.977 -6.139 1.00 0.00 C ATOM 1345 O THR B 11 8.189 -4.967 -5.163 1.00 0.00 O ATOM 1346 CB THR B 11 10.605 -3.417 -7.176 1.00 0.00 C ATOM 1347 OG1 THR B 11 10.935 -2.213 -6.494 1.00 0.00 O ATOM 1348 CG2 THR B 11 10.945 -3.264 -8.662 1.00 0.00 C ATOM 0 H THR B 11 7.767 -2.035 -7.010 1.00 0.00 H new ATOM 0 HA THR B 11 8.657 -3.904 -7.995 1.00 0.00 H new ATOM 0 HB THR B 11 11.178 -4.241 -6.752 1.00 0.00 H new ATOM 0 HG1 THR B 11 11.891 -2.028 -6.601 1.00 0.00 H new ATOM 0 HG21 THR B 11 12.008 -3.049 -8.772 1.00 0.00 H new ATOM 0 HG22 THR B 11 10.706 -4.189 -9.187 1.00 0.00 H new ATOM 0 HG23 THR B 11 10.364 -2.445 -9.086 1.00 0.00 H new ATOM 1356 N TYR B 12 9.582 -6.051 -6.488 1.00 0.00 N ATOM 1357 CA TYR B 12 9.467 -7.309 -5.688 1.00 0.00 C ATOM 1358 C TYR B 12 10.345 -8.393 -6.320 1.00 0.00 C ATOM 1359 O TYR B 12 10.654 -8.343 -7.496 1.00 0.00 O ATOM 1360 CB TYR B 12 8.002 -7.779 -5.667 1.00 0.00 C ATOM 1361 CG TYR B 12 7.653 -8.287 -4.287 1.00 0.00 C ATOM 1362 CD1 TYR B 12 8.033 -9.578 -3.899 1.00 0.00 C ATOM 1363 CD2 TYR B 12 6.952 -7.466 -3.396 1.00 0.00 C ATOM 1364 CE1 TYR B 12 7.711 -10.047 -2.619 1.00 0.00 C ATOM 1365 CE2 TYR B 12 6.630 -7.936 -2.117 1.00 0.00 C ATOM 1366 CZ TYR B 12 7.010 -9.225 -1.729 1.00 0.00 C ATOM 1367 OH TYR B 12 6.693 -9.688 -0.468 1.00 0.00 O ATOM 0 H TYR B 12 10.202 -6.110 -7.296 1.00 0.00 H new ATOM 0 HA TYR B 12 9.797 -7.121 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR B 12 7.341 -6.956 -5.941 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.852 -8.567 -6.405 1.00 0.00 H new ATOM 0 HD1 TYR B 12 8.574 -10.212 -4.586 1.00 0.00 H new ATOM 0 HD2 TYR B 12 6.660 -6.470 -3.695 1.00 0.00 H new ATOM 0 HE1 TYR B 12 8.003 -11.042 -2.319 1.00 0.00 H new ATOM 0 HE2 TYR B 12 6.088 -7.303 -1.430 1.00 0.00 H new ATOM 0 HH TYR B 12 6.207 -8.993 0.023 1.00 0.00 H new ATOM 1377 N LYS B 13 10.748 -9.373 -5.546 1.00 0.00 N ATOM 1378 CA LYS B 13 11.610 -10.469 -6.093 1.00 0.00 C ATOM 1379 C LYS B 13 12.926 -9.874 -6.617 1.00 0.00 C ATOM 1380 O LYS B 13 13.298 -8.769 -6.266 1.00 0.00 O ATOM 1381 CB LYS B 13 10.870 -11.185 -7.235 1.00 0.00 C ATOM 1382 CG LYS B 13 9.478 -11.607 -6.759 1.00 0.00 C ATOM 1383 CD LYS B 13 9.077 -12.914 -7.446 1.00 0.00 C ATOM 1384 CE LYS B 13 9.525 -14.100 -6.589 1.00 0.00 C ATOM 1385 NZ LYS B 13 10.954 -14.407 -6.875 1.00 0.00 N ATOM 0 H LYS B 13 10.516 -9.461 -4.557 1.00 0.00 H new ATOM 0 HA LYS B 13 11.830 -11.187 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.786 -10.524 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS B 13 11.436 -12.059 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.476 -11.737 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.752 -10.827 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS B 13 7.997 -12.944 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS B 13 9.534 -12.973 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS B 13 9.396 -13.868 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.905 -14.971 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 11.150 -15.401 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 11.148 -14.247 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 11.563 -13.788 -6.303 1.00 0.00 H new ATOM 1399 N ARG B 14 13.638 -10.602 -7.449 1.00 0.00 N ATOM 1400 CA ARG B 14 14.936 -10.088 -7.994 1.00 0.00 C ATOM 1401 C ARG B 14 15.917 -9.863 -6.841 1.00 0.00 C ATOM 1402 O ARG B 14 15.786 -8.923 -6.078 1.00 0.00 O ATOM 1403 CB ARG B 14 14.706 -8.767 -8.738 1.00 0.00 C ATOM 1404 CG ARG B 14 15.767 -8.609 -9.833 1.00 0.00 C ATOM 1405 CD ARG B 14 16.034 -7.121 -10.087 1.00 0.00 C ATOM 1406 NE ARG B 14 15.342 -6.698 -11.338 1.00 0.00 N ATOM 1407 CZ ARG B 14 15.712 -7.194 -12.487 1.00 0.00 C ATOM 1408 NH1 ARG B 14 16.897 -6.923 -12.964 1.00 0.00 N ATOM 1409 NH2 ARG B 14 14.898 -7.959 -13.161 1.00 0.00 N ATOM 0 H ARG B 14 13.374 -11.532 -7.774 1.00 0.00 H new ATOM 0 HA ARG B 14 15.348 -10.820 -8.689 1.00 0.00 H new ATOM 0 HB2 ARG B 14 13.709 -8.753 -9.178 1.00 0.00 H new ATOM 0 HB3 ARG B 14 14.759 -7.930 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG B 14 16.689 -9.107 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG B 14 15.429 -9.089 -10.751 1.00 0.00 H new ATOM 0 HD2 ARG B 14 15.679 -6.528 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG B 14 17.106 -6.943 -10.174 1.00 0.00 H new ATOM 0 HE ARG B 14 14.580 -6.021 -11.296 1.00 0.00 H new ATOM 0 HH11 ARG B 14 17.533 -6.324 -12.439 1.00 0.00 H new ATOM 0 HH12 ARG B 14 17.186 -7.311 -13.862 1.00 0.00 H new ATOM 0 HH21 ARG B 14 13.972 -8.170 -12.790 1.00 0.00 H new ATOM 0 HH22 ARG B 14 15.188 -8.346 -14.059 1.00 0.00 H new ATOM 1423 N GLU B 15 16.898 -10.723 -6.710 1.00 0.00 N ATOM 1424 CA GLU B 15 17.895 -10.572 -5.608 1.00 0.00 C ATOM 1425 C GLU B 15 18.699 -9.287 -5.818 1.00 0.00 C ATOM 1426 O GLU B 15 18.834 -8.533 -4.868 1.00 0.00 O ATOM 1427 CB GLU B 15 18.843 -11.773 -5.610 1.00 0.00 C ATOM 1428 CG GLU B 15 19.608 -11.826 -4.285 1.00 0.00 C ATOM 1429 CD GLU B 15 20.851 -12.704 -4.449 1.00 0.00 C ATOM 1430 OE1 GLU B 15 20.767 -13.689 -5.164 1.00 0.00 O ATOM 1431 OE2 GLU B 15 21.865 -12.375 -3.854 1.00 0.00 O ATOM 1432 OXT GLU B 15 19.168 -9.079 -6.926 1.00 0.00 O ATOM 0 H GLU B 15 17.050 -11.525 -7.322 1.00 0.00 H new ATOM 0 HA GLU B 15 17.374 -10.521 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU B 15 18.278 -12.694 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU B 15 19.542 -11.696 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU B 15 19.897 -10.821 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU B 15 18.968 -12.226 -3.499 1.00 0.00 H new TER 1439 GLU B 15