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 1 MET CE :methyl -119:sc= -0.014 (180deg=0) USER MOD Set 1.2: A 58 HIS : no HE2:sc= -0.391 X(o=-0.4,f=-0.63) USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= -0.774 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0395 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 -26:sc= 0.343 USER MOD Single : A -8 GLY N :NH3+ 180:sc= -0.0258 (180deg=-0.0258) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -99:sc= 0.482 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.201 K(o=-0.2,f=-3!) USER MOD Single : A 32 CYS SG : rot 180:sc= 0.0405 USER MOD Single : A 34 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.24) USER MOD Single : A 35 ASN : amide:sc=-0.00903 X(o=-0.009,f=0.017) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.023) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 52 TYR OH : rot -8:sc= 1.23 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.0569 (180deg=-0.521) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ -138:sc= -2.29! (180deg=-5.72!) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0792 USER MOD Single : B 6 LYS NZ :NH3+ 158:sc= 0.0437 (180deg=0.00118) USER MOD Single : B 10 LYS NZ :NH3+ 148:sc= -0.0722 (180deg=-0.734) USER MOD Single : B 11 THR OG1 : rot 180:sc= -0.608 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 9.510 -4.154 -39.305 1.00 0.00 N ATOM 2 CA GLY A -8 10.621 -3.187 -38.802 1.00 0.00 C ATOM 3 C GLY A -8 10.480 -1.744 -39.011 1.00 0.00 C ATOM 4 O GLY A -8 11.370 -0.973 -38.700 1.00 0.00 O ATOM 0 H1 GLY A -8 9.772 -5.134 -39.074 1.00 0.00 H new ATOM 0 H2 GLY A -8 8.609 -3.918 -38.842 1.00 0.00 H new ATOM 0 H3 GLY A -8 9.406 -4.057 -40.335 1.00 0.00 H new ATOM 0 HA2 GLY A -8 10.734 -3.351 -37.730 1.00 0.00 H new ATOM 0 HA3 GLY A -8 11.556 -3.494 -39.271 1.00 0.00 H new ATOM 10 N SER A -7 9.360 -1.320 -39.544 1.00 0.00 N ATOM 11 CA SER A -7 9.143 0.136 -39.788 1.00 0.00 C ATOM 12 C SER A -7 7.649 0.404 -39.969 1.00 0.00 C ATOM 13 O SER A -7 6.954 -0.332 -40.646 1.00 0.00 O ATOM 14 CB SER A -7 9.893 0.560 -41.050 1.00 0.00 C ATOM 15 OG SER A -7 11.243 0.118 -40.965 1.00 0.00 O ATOM 0 H SER A -7 8.586 -1.923 -39.821 1.00 0.00 H new ATOM 0 HA SER A -7 9.515 0.706 -38.937 1.00 0.00 H new ATOM 0 HB2 SER A -7 9.414 0.135 -41.932 1.00 0.00 H new ATOM 0 HB3 SER A -7 9.859 1.644 -41.160 1.00 0.00 H new ATOM 0 HG SER A -7 11.501 0.034 -40.023 1.00 0.00 H new ATOM 21 N ARG A -6 7.147 1.455 -39.365 1.00 0.00 N ATOM 22 CA ARG A -6 5.693 1.779 -39.495 1.00 0.00 C ATOM 23 C ARG A -6 5.527 3.089 -40.268 1.00 0.00 C ATOM 24 O ARG A -6 5.563 4.164 -39.699 1.00 0.00 O ATOM 25 CB ARG A -6 5.068 1.925 -38.101 1.00 0.00 C ATOM 26 CG ARG A -6 5.927 2.865 -37.235 1.00 0.00 C ATOM 27 CD ARG A -6 5.023 3.846 -36.483 1.00 0.00 C ATOM 28 NE ARG A -6 5.712 4.309 -35.245 1.00 0.00 N ATOM 29 CZ ARG A -6 5.199 4.044 -34.075 1.00 0.00 C ATOM 30 NH1 ARG A -6 4.128 4.674 -33.676 1.00 0.00 N ATOM 31 NH2 ARG A -6 5.757 3.151 -33.303 1.00 0.00 N ATOM 0 H ARG A -6 7.683 2.102 -38.787 1.00 0.00 H new ATOM 0 HA ARG A -6 5.192 0.974 -40.032 1.00 0.00 H new ATOM 0 HB2 ARG A -6 4.056 2.320 -38.187 1.00 0.00 H new ATOM 0 HB3 ARG A -6 4.990 0.948 -37.624 1.00 0.00 H new ATOM 0 HG2 ARG A -6 6.518 2.284 -36.527 1.00 0.00 H new ATOM 0 HG3 ARG A -6 6.630 3.412 -37.863 1.00 0.00 H new ATOM 0 HD2 ARG A -6 4.785 4.698 -37.119 1.00 0.00 H new ATOM 0 HD3 ARG A -6 4.079 3.365 -36.228 1.00 0.00 H new ATOM 0 HE ARG A -6 6.585 4.833 -35.312 1.00 0.00 H new ATOM 0 HH11 ARG A -6 3.693 5.373 -34.279 1.00 0.00 H new ATOM 0 HH12 ARG A -6 3.726 4.468 -32.762 1.00 0.00 H new ATOM 0 HH21 ARG A -6 6.595 2.660 -33.614 1.00 0.00 H new ATOM 0 HH22 ARG A -6 5.355 2.945 -32.389 1.00 0.00 H new ATOM 45 N ARG A -5 5.344 3.004 -41.564 1.00 0.00 N ATOM 46 CA ARG A -5 5.173 4.241 -42.384 1.00 0.00 C ATOM 47 C ARG A -5 3.710 4.694 -42.323 1.00 0.00 C ATOM 48 O ARG A -5 2.939 4.464 -43.238 1.00 0.00 O ATOM 49 CB ARG A -5 5.560 3.949 -43.837 1.00 0.00 C ATOM 50 CG ARG A -5 6.968 3.349 -43.880 1.00 0.00 C ATOM 51 CD ARG A -5 7.250 2.813 -45.285 1.00 0.00 C ATOM 52 NE ARG A -5 8.599 2.179 -45.312 1.00 0.00 N ATOM 53 CZ ARG A -5 9.596 2.789 -45.892 1.00 0.00 C ATOM 54 NH1 ARG A -5 9.832 2.595 -47.161 1.00 0.00 N ATOM 55 NH2 ARG A -5 10.357 3.596 -45.203 1.00 0.00 N ATOM 0 H ARG A -5 5.306 2.130 -42.088 1.00 0.00 H new ATOM 0 HA ARG A -5 5.814 5.030 -41.991 1.00 0.00 H new ATOM 0 HB2 ARG A -5 4.845 3.258 -44.283 1.00 0.00 H new ATOM 0 HB3 ARG A -5 5.526 4.866 -44.425 1.00 0.00 H new ATOM 0 HG2 ARG A -5 7.706 4.106 -43.613 1.00 0.00 H new ATOM 0 HG3 ARG A -5 7.055 2.546 -43.148 1.00 0.00 H new ATOM 0 HD2 ARG A -5 6.489 2.086 -45.568 1.00 0.00 H new ATOM 0 HD3 ARG A -5 7.203 3.624 -46.012 1.00 0.00 H new ATOM 0 HE ARG A -5 8.743 1.268 -44.877 1.00 0.00 H new ATOM 0 HH11 ARG A -5 9.237 1.966 -47.700 1.00 0.00 H new ATOM 0 HH12 ARG A -5 10.612 3.072 -47.614 1.00 0.00 H new ATOM 0 HH21 ARG A -5 10.172 3.749 -44.212 1.00 0.00 H new ATOM 0 HH22 ARG A -5 11.136 4.073 -45.656 1.00 0.00 H new ATOM 69 N ALA A -4 3.322 5.337 -41.246 1.00 0.00 N ATOM 70 CA ALA A -4 1.907 5.812 -41.111 1.00 0.00 C ATOM 71 C ALA A -4 0.952 4.609 -41.168 1.00 0.00 C ATOM 72 O ALA A -4 0.049 4.555 -41.986 1.00 0.00 O ATOM 73 CB ALA A -4 1.583 6.787 -42.250 1.00 0.00 C ATOM 0 H ALA A -4 3.926 5.554 -40.453 1.00 0.00 H new ATOM 0 HA ALA A -4 1.784 6.322 -40.155 1.00 0.00 H new ATOM 0 HB1 ALA A -4 0.554 7.132 -42.152 1.00 0.00 H new ATOM 0 HB2 ALA A -4 2.259 7.641 -42.201 1.00 0.00 H new ATOM 0 HB3 ALA A -4 1.706 6.281 -43.208 1.00 0.00 H new ATOM 79 N SER A -3 1.147 3.645 -40.300 1.00 0.00 N ATOM 80 CA SER A -3 0.257 2.444 -40.294 1.00 0.00 C ATOM 81 C SER A -3 -0.360 2.268 -38.904 1.00 0.00 C ATOM 82 O SER A -3 0.339 2.105 -37.920 1.00 0.00 O ATOM 83 CB SER A -3 1.074 1.202 -40.649 1.00 0.00 C ATOM 84 OG SER A -3 0.222 0.239 -41.259 1.00 0.00 O ATOM 0 H SER A -3 1.885 3.639 -39.596 1.00 0.00 H new ATOM 0 HA SER A -3 -0.537 2.580 -41.028 1.00 0.00 H new ATOM 0 HB2 SER A -3 1.886 1.468 -41.326 1.00 0.00 H new ATOM 0 HB3 SER A -3 1.531 0.784 -39.752 1.00 0.00 H new ATOM 0 HG SER A -3 0.742 -0.559 -41.490 1.00 0.00 H new ATOM 90 N VAL A -2 -1.668 2.301 -38.816 1.00 0.00 N ATOM 91 CA VAL A -2 -2.343 2.135 -37.494 1.00 0.00 C ATOM 92 C VAL A -2 -2.889 0.709 -37.381 1.00 0.00 C ATOM 93 O VAL A -2 -3.572 0.227 -38.266 1.00 0.00 O ATOM 94 CB VAL A -2 -3.499 3.137 -37.381 1.00 0.00 C ATOM 95 CG1 VAL A -2 -4.128 3.044 -35.988 1.00 0.00 C ATOM 96 CG2 VAL A -2 -2.970 4.557 -37.604 1.00 0.00 C ATOM 0 H VAL A -2 -2.298 2.436 -39.607 1.00 0.00 H new ATOM 0 HA VAL A -2 -1.627 2.317 -36.692 1.00 0.00 H new ATOM 0 HB VAL A -2 -4.251 2.904 -38.135 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -4.949 3.757 -35.911 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -4.508 2.035 -35.827 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -3.376 3.274 -35.233 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -3.792 5.268 -37.524 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -2.216 4.787 -36.851 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -2.525 4.628 -38.596 1.00 0.00 H new ATOM 106 N GLY A -1 -2.592 0.029 -36.297 1.00 0.00 N ATOM 107 CA GLY A -1 -3.091 -1.367 -36.126 1.00 0.00 C ATOM 108 C GLY A -1 -2.817 -1.846 -34.698 1.00 0.00 C ATOM 109 O GLY A -1 -1.936 -2.653 -34.465 1.00 0.00 O ATOM 0 H GLY A -1 -2.026 0.384 -35.526 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -4.160 -1.409 -36.334 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -2.601 -2.028 -36.841 1.00 0.00 H new ATOM 113 N SER A 0 -3.572 -1.359 -33.741 1.00 0.00 N ATOM 114 CA SER A 0 -3.365 -1.791 -32.325 1.00 0.00 C ATOM 115 C SER A 0 -4.317 -2.941 -32.004 1.00 0.00 C ATOM 116 O SER A 0 -5.298 -3.159 -32.693 1.00 0.00 O ATOM 117 CB SER A 0 -3.649 -0.621 -31.377 1.00 0.00 C ATOM 118 OG SER A 0 -4.730 0.149 -31.892 1.00 0.00 O ATOM 0 H SER A 0 -4.322 -0.682 -33.881 1.00 0.00 H new ATOM 0 HA SER A 0 -2.333 -2.117 -32.196 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.895 -0.995 -30.383 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.761 0.002 -31.273 1.00 0.00 H new ATOM 0 HG SER A 0 -4.916 0.897 -31.287 1.00 0.00 H new ATOM 124 N MET A 1 -4.042 -3.669 -30.953 1.00 0.00 N ATOM 125 CA MET A 1 -4.930 -4.800 -30.562 1.00 0.00 C ATOM 126 C MET A 1 -5.624 -4.462 -29.265 1.00 0.00 C ATOM 127 O MET A 1 -5.528 -3.348 -28.776 1.00 0.00 O ATOM 128 CB MET A 1 -4.104 -6.077 -30.386 1.00 0.00 C ATOM 129 CG MET A 1 -4.044 -6.820 -31.712 1.00 0.00 C ATOM 130 SD MET A 1 -3.091 -5.858 -32.917 1.00 0.00 S ATOM 131 CE MET A 1 -3.275 -6.996 -34.311 1.00 0.00 C ATOM 0 H MET A 1 -3.235 -3.526 -30.346 1.00 0.00 H new ATOM 0 HA MET A 1 -5.672 -4.963 -31.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.098 -5.830 -30.048 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.551 -6.711 -29.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.585 -7.798 -31.570 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.052 -6.993 -32.088 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.292 -7.347 -34.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.885 -7.847 -34.008 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.759 -6.480 -35.140 1.00 0.00 H new ATOM 141 N GLU A 2 -6.325 -5.407 -28.694 1.00 0.00 N ATOM 142 CA GLU A 2 -7.016 -5.151 -27.444 1.00 0.00 C ATOM 143 C GLU A 2 -6.585 -6.215 -26.459 1.00 0.00 C ATOM 144 O GLU A 2 -5.843 -7.119 -26.795 1.00 0.00 O ATOM 145 CB GLU A 2 -8.524 -5.248 -27.690 1.00 0.00 C ATOM 146 CG GLU A 2 -9.223 -3.981 -27.194 1.00 0.00 C ATOM 147 CD GLU A 2 -10.579 -3.841 -27.887 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.304 -4.822 -27.931 1.00 0.00 O ATOM 149 OE2 GLU A 2 -10.870 -2.756 -28.364 1.00 0.00 O ATOM 0 H GLU A 2 -6.436 -6.351 -29.064 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.781 -4.160 -27.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.718 -5.386 -28.754 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.928 -6.120 -27.176 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.358 -4.027 -26.113 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.605 -3.107 -27.401 1.00 0.00 H new ATOM 156 N ALA A 3 -7.045 -6.116 -25.265 1.00 0.00 N ATOM 157 CA ALA A 3 -6.688 -7.128 -24.236 1.00 0.00 C ATOM 158 C ALA A 3 -7.753 -7.171 -23.149 1.00 0.00 C ATOM 159 O ALA A 3 -7.993 -6.213 -22.448 1.00 0.00 O ATOM 160 CB ALA A 3 -5.359 -6.794 -23.638 1.00 0.00 C ATOM 0 H ALA A 3 -7.662 -5.371 -24.942 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.631 -8.109 -24.708 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.102 -7.538 -22.884 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.599 -6.791 -24.419 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.406 -5.809 -23.174 1.00 0.00 H new ATOM 166 N ILE A 4 -8.405 -8.283 -23.037 1.00 0.00 N ATOM 167 CA ILE A 4 -9.497 -8.448 -22.046 1.00 0.00 C ATOM 168 C ILE A 4 -9.004 -8.307 -20.628 1.00 0.00 C ATOM 169 O ILE A 4 -8.220 -9.095 -20.147 1.00 0.00 O ATOM 170 CB ILE A 4 -10.123 -9.827 -22.225 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.133 -10.114 -21.089 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.043 -10.902 -22.235 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.405 -10.624 -21.689 1.00 0.00 C ATOM 0 H ILE A 4 -8.223 -9.110 -23.606 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.231 -7.661 -22.221 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.650 -9.842 -23.179 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.722 -10.848 -20.396 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.324 -9.207 -20.516 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.505 -11.881 -22.363 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.352 -10.716 -23.057 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.498 -10.879 -21.291 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.124 -10.830 -20.896 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.815 -9.874 -22.365 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.204 -11.541 -22.243 1.00 0.00 H new ATOM 185 N ALA A 5 -9.544 -7.353 -19.946 1.00 0.00 N ATOM 186 CA ALA A 5 -9.200 -7.177 -18.498 1.00 0.00 C ATOM 187 C ALA A 5 -9.876 -8.329 -17.735 1.00 0.00 C ATOM 188 O ALA A 5 -11.086 -8.359 -17.595 1.00 0.00 O ATOM 189 CB ALA A 5 -9.748 -5.851 -17.976 1.00 0.00 C ATOM 0 H ALA A 5 -10.212 -6.678 -20.318 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.118 -7.179 -18.363 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.489 -5.740 -16.923 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.314 -5.029 -18.545 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.832 -5.837 -18.086 1.00 0.00 H new ATOM 195 N LYS A 6 -9.116 -9.288 -17.276 1.00 0.00 N ATOM 196 CA LYS A 6 -9.715 -10.457 -16.564 1.00 0.00 C ATOM 197 C LYS A 6 -10.367 -10.025 -15.247 1.00 0.00 C ATOM 198 O LYS A 6 -11.250 -10.694 -14.744 1.00 0.00 O ATOM 199 CB LYS A 6 -8.620 -11.469 -16.251 1.00 0.00 C ATOM 200 CG LYS A 6 -7.952 -11.899 -17.548 1.00 0.00 C ATOM 201 CD LYS A 6 -6.587 -12.521 -17.243 1.00 0.00 C ATOM 202 CE LYS A 6 -6.767 -13.806 -16.424 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.868 -14.867 -16.964 1.00 0.00 N ATOM 0 H LYS A 6 -8.100 -9.313 -17.364 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.476 -10.896 -17.209 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.884 -11.030 -15.577 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.043 -12.335 -15.741 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.582 -12.618 -18.072 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.832 -11.040 -18.209 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.063 -12.743 -18.173 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.970 -11.812 -16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.537 -13.617 -15.375 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.805 -14.136 -16.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.988 -15.739 -16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.108 -15.053 -17.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.880 -14.550 -16.900 1.00 0.00 H new ATOM 217 N TYR A 7 -9.925 -8.932 -14.670 1.00 0.00 N ATOM 218 CA TYR A 7 -10.511 -8.487 -13.357 1.00 0.00 C ATOM 219 C TYR A 7 -10.447 -6.982 -13.239 1.00 0.00 C ATOM 220 O TYR A 7 -10.095 -6.278 -14.166 1.00 0.00 O ATOM 221 CB TYR A 7 -9.724 -9.104 -12.187 1.00 0.00 C ATOM 222 CG TYR A 7 -9.395 -10.551 -12.468 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.367 -11.541 -12.300 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.114 -10.893 -12.901 1.00 0.00 C ATOM 225 CE1 TYR A 7 -10.054 -12.878 -12.566 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.796 -12.225 -13.167 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.766 -13.222 -13.000 1.00 0.00 C ATOM 228 OH TYR A 7 -8.454 -14.540 -13.260 1.00 0.00 O ATOM 0 H TYR A 7 -9.191 -8.331 -15.045 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.549 -8.817 -13.319 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.804 -8.542 -12.024 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.309 -9.030 -11.270 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.358 -11.274 -11.965 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.366 -10.125 -13.031 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.804 -13.645 -12.437 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.803 -12.487 -13.501 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.521 -14.604 -13.552 1.00 0.00 H new ATOM 238 N ASP A 8 -10.811 -6.491 -12.094 1.00 0.00 N ATOM 239 CA ASP A 8 -10.812 -5.039 -11.860 1.00 0.00 C ATOM 240 C ASP A 8 -9.398 -4.545 -11.509 1.00 0.00 C ATOM 241 O ASP A 8 -8.530 -5.309 -11.150 1.00 0.00 O ATOM 242 CB ASP A 8 -11.804 -4.739 -10.737 1.00 0.00 C ATOM 243 CG ASP A 8 -11.278 -5.260 -9.387 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.536 -6.229 -9.396 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.629 -4.679 -8.373 1.00 0.00 O ATOM 0 H ASP A 8 -11.113 -7.052 -11.298 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.116 -4.511 -12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.975 -3.664 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.765 -5.203 -10.961 1.00 0.00 H new ATOM 250 N PHE A 9 -9.184 -3.268 -11.623 1.00 0.00 N ATOM 251 CA PHE A 9 -7.856 -2.679 -11.327 1.00 0.00 C ATOM 252 C PHE A 9 -7.931 -1.161 -11.530 1.00 0.00 C ATOM 253 O PHE A 9 -8.942 -0.633 -11.962 1.00 0.00 O ATOM 254 CB PHE A 9 -6.820 -3.255 -12.293 1.00 0.00 C ATOM 255 CG PHE A 9 -5.539 -3.483 -11.557 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.507 -4.410 -10.527 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.394 -2.767 -11.901 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.313 -4.637 -9.825 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.201 -2.986 -11.206 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.160 -3.923 -10.168 1.00 0.00 C ATOM 0 H PHE A 9 -9.891 -2.594 -11.916 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.571 -2.909 -10.300 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.182 -4.192 -12.718 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.659 -2.569 -13.125 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.400 -4.957 -10.265 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.428 -2.044 -12.703 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.285 -5.360 -9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.312 -2.432 -11.470 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.239 -4.095 -9.632 1.00 0.00 H new ATOM 270 N LYS A 10 -6.867 -0.460 -11.235 1.00 0.00 N ATOM 271 CA LYS A 10 -6.866 1.020 -11.420 1.00 0.00 C ATOM 272 C LYS A 10 -5.483 1.493 -11.814 1.00 0.00 C ATOM 273 O LYS A 10 -4.532 0.728 -11.834 1.00 0.00 O ATOM 274 CB LYS A 10 -7.325 1.697 -10.115 1.00 0.00 C ATOM 275 CG LYS A 10 -6.253 1.551 -9.021 1.00 0.00 C ATOM 276 CD LYS A 10 -6.863 1.874 -7.657 1.00 0.00 C ATOM 277 CE LYS A 10 -7.206 3.362 -7.592 1.00 0.00 C ATOM 278 NZ LYS A 10 -7.438 3.756 -6.174 1.00 0.00 N ATOM 0 H LYS A 10 -5.997 -0.851 -10.873 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.557 1.290 -12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.524 2.753 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.260 1.250 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.855 0.536 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.418 2.221 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.760 1.276 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.162 1.616 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.394 3.952 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.095 3.568 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.671 4.768 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.226 3.201 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.578 3.574 -5.618 1.00 0.00 H new ATOM 292 N ALA A 11 -5.363 2.754 -12.123 1.00 0.00 N ATOM 293 CA ALA A 11 -4.051 3.288 -12.509 1.00 0.00 C ATOM 294 C ALA A 11 -3.274 3.603 -11.232 1.00 0.00 C ATOM 295 O ALA A 11 -3.791 4.229 -10.325 1.00 0.00 O ATOM 296 CB ALA A 11 -4.212 4.551 -13.345 1.00 0.00 C ATOM 0 H ALA A 11 -6.126 3.431 -12.121 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.515 2.554 -13.110 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.229 4.932 -13.622 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.779 4.320 -14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.744 5.306 -12.765 1.00 0.00 H new ATOM 302 N THR A 12 -2.050 3.166 -11.146 1.00 0.00 N ATOM 303 CA THR A 12 -1.242 3.425 -9.913 1.00 0.00 C ATOM 304 C THR A 12 -0.048 4.314 -10.255 1.00 0.00 C ATOM 305 O THR A 12 1.068 4.067 -9.834 1.00 0.00 O ATOM 306 CB THR A 12 -0.748 2.091 -9.343 1.00 0.00 C ATOM 307 OG1 THR A 12 0.044 1.425 -10.317 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.949 1.219 -8.974 1.00 0.00 C ATOM 0 H THR A 12 -1.569 2.639 -11.875 1.00 0.00 H new ATOM 0 HA THR A 12 -1.861 3.931 -9.172 1.00 0.00 H new ATOM 0 HB THR A 12 -0.147 2.275 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.497 0.744 -10.769 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.599 0.270 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.555 1.731 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.551 1.033 -9.864 1.00 0.00 H new ATOM 316 N ALA A 13 -0.277 5.353 -11.019 1.00 0.00 N ATOM 317 CA ALA A 13 0.833 6.277 -11.401 1.00 0.00 C ATOM 318 C ALA A 13 0.311 7.326 -12.344 1.00 0.00 C ATOM 319 O ALA A 13 -0.851 7.336 -12.712 1.00 0.00 O ATOM 320 CB ALA A 13 1.955 5.501 -12.099 1.00 0.00 C ATOM 0 H ALA A 13 -1.191 5.602 -11.396 1.00 0.00 H new ATOM 0 HA ALA A 13 1.224 6.744 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.757 6.187 -12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.344 4.738 -11.425 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.563 5.025 -12.998 1.00 0.00 H new ATOM 326 N ASP A 14 1.170 8.205 -12.738 1.00 0.00 N ATOM 327 CA ASP A 14 0.779 9.278 -13.664 1.00 0.00 C ATOM 328 C ASP A 14 0.852 8.777 -15.118 1.00 0.00 C ATOM 329 O ASP A 14 0.646 9.533 -16.052 1.00 0.00 O ATOM 330 CB ASP A 14 1.734 10.424 -13.454 1.00 0.00 C ATOM 331 CG ASP A 14 1.088 11.729 -13.920 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.244 12.240 -13.201 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.446 12.196 -14.989 1.00 0.00 O ATOM 0 H ASP A 14 2.148 8.224 -12.450 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.246 9.597 -13.474 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.003 10.497 -12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.656 10.247 -14.007 1.00 0.00 H new ATOM 338 N ASP A 15 1.135 7.501 -15.317 1.00 0.00 N ATOM 339 CA ASP A 15 1.210 6.952 -16.664 1.00 0.00 C ATOM 340 C ASP A 15 0.626 5.534 -16.669 1.00 0.00 C ATOM 341 O ASP A 15 0.978 4.710 -17.500 1.00 0.00 O ATOM 342 CB ASP A 15 2.668 6.911 -17.112 1.00 0.00 C ATOM 343 CG ASP A 15 3.008 8.201 -17.857 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.235 8.585 -18.718 1.00 0.00 O ATOM 345 OD2 ASP A 15 4.037 8.783 -17.553 1.00 0.00 O ATOM 0 H ASP A 15 1.316 6.829 -14.571 1.00 0.00 H new ATOM 0 HA ASP A 15 0.639 7.579 -17.349 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.322 6.794 -16.248 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.837 6.050 -17.758 1.00 0.00 H new ATOM 350 N GLU A 16 -0.273 5.242 -15.751 1.00 0.00 N ATOM 351 CA GLU A 16 -0.879 3.893 -15.705 1.00 0.00 C ATOM 352 C GLU A 16 -2.323 3.990 -16.193 1.00 0.00 C ATOM 353 O GLU A 16 -2.822 5.073 -16.448 1.00 0.00 O ATOM 354 CB GLU A 16 -0.832 3.362 -14.271 1.00 0.00 C ATOM 355 CG GLU A 16 -0.911 1.842 -14.296 1.00 0.00 C ATOM 356 CD GLU A 16 -0.072 1.262 -13.153 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.035 1.738 -12.956 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.549 0.352 -12.495 1.00 0.00 O ATOM 0 H GLU A 16 -0.605 5.890 -15.037 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.327 3.206 -16.346 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.088 3.682 -13.782 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.660 3.771 -13.692 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.948 1.521 -14.198 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.549 1.465 -15.253 1.00 0.00 H new ATOM 365 N LEU A 17 -2.988 2.876 -16.353 1.00 0.00 N ATOM 366 CA LEU A 17 -4.395 2.917 -16.860 1.00 0.00 C ATOM 367 C LEU A 17 -5.321 2.070 -15.977 1.00 0.00 C ATOM 368 O LEU A 17 -5.023 0.940 -15.640 1.00 0.00 O ATOM 369 CB LEU A 17 -4.408 2.397 -18.310 1.00 0.00 C ATOM 370 CG LEU A 17 -5.832 2.414 -18.886 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.215 3.847 -19.274 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.889 1.506 -20.132 1.00 0.00 C ATOM 0 H LEU A 17 -2.622 1.944 -16.157 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.763 3.943 -16.830 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.754 3.013 -18.927 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.011 1.382 -18.340 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.533 2.047 -18.136 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.226 3.856 -19.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.175 4.486 -18.392 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.517 4.220 -20.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.898 1.516 -20.543 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.188 1.873 -20.882 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.621 0.487 -19.852 1.00 0.00 H new ATOM 384 N SER A 18 -6.449 2.632 -15.603 1.00 0.00 N ATOM 385 CA SER A 18 -7.408 1.933 -14.760 1.00 0.00 C ATOM 386 C SER A 18 -8.408 1.154 -15.626 1.00 0.00 C ATOM 387 O SER A 18 -8.487 1.344 -16.825 1.00 0.00 O ATOM 388 CB SER A 18 -8.148 2.989 -13.971 1.00 0.00 C ATOM 389 OG SER A 18 -9.035 3.693 -14.832 1.00 0.00 O ATOM 0 H SER A 18 -6.730 3.576 -15.868 1.00 0.00 H new ATOM 0 HA SER A 18 -6.900 1.225 -14.105 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.706 2.525 -13.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.439 3.682 -13.517 1.00 0.00 H new ATOM 0 HG SER A 18 -9.515 4.376 -14.319 1.00 0.00 H new ATOM 395 N PHE A 19 -9.184 0.296 -15.012 1.00 0.00 N ATOM 396 CA PHE A 19 -10.206 -0.495 -15.766 1.00 0.00 C ATOM 397 C PHE A 19 -10.914 -1.431 -14.787 1.00 0.00 C ATOM 398 O PHE A 19 -10.486 -1.588 -13.667 1.00 0.00 O ATOM 399 CB PHE A 19 -9.534 -1.321 -16.880 1.00 0.00 C ATOM 400 CG PHE A 19 -8.480 -2.231 -16.291 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.861 -3.424 -15.666 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.128 -1.884 -16.372 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.887 -4.271 -15.123 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.154 -2.729 -15.829 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.534 -3.922 -15.204 1.00 0.00 C ATOM 0 H PHE A 19 -9.153 0.108 -14.010 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.924 0.183 -16.227 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.283 -1.913 -17.406 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.081 -0.655 -17.614 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.906 -3.691 -15.603 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.835 -0.963 -16.854 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.180 -5.193 -14.642 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.110 -2.461 -15.892 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.783 -4.574 -14.784 1.00 0.00 H new ATOM 415 N LYS A 20 -11.992 -2.045 -15.198 1.00 0.00 N ATOM 416 CA LYS A 20 -12.728 -2.967 -14.288 1.00 0.00 C ATOM 417 C LYS A 20 -12.752 -4.366 -14.879 1.00 0.00 C ATOM 418 O LYS A 20 -12.219 -4.615 -15.942 1.00 0.00 O ATOM 419 CB LYS A 20 -14.157 -2.478 -14.127 1.00 0.00 C ATOM 420 CG LYS A 20 -14.135 -1.058 -13.594 1.00 0.00 C ATOM 421 CD LYS A 20 -13.823 -1.076 -12.096 1.00 0.00 C ATOM 422 CE LYS A 20 -13.225 0.269 -11.680 1.00 0.00 C ATOM 423 NZ LYS A 20 -12.387 0.086 -10.461 1.00 0.00 N ATOM 0 H LYS A 20 -12.395 -1.946 -16.130 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.227 -2.988 -13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.677 -2.513 -15.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.703 -3.128 -13.444 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.385 -0.471 -14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.098 -0.578 -13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.732 -1.273 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.125 -1.882 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.622 0.677 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.021 0.987 -11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.981 1.001 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.975 -0.285 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.620 -0.586 -10.665 1.00 0.00 H new ATOM 437 N ARG A 21 -13.374 -5.275 -14.188 1.00 0.00 N ATOM 438 CA ARG A 21 -13.464 -6.671 -14.676 1.00 0.00 C ATOM 439 C ARG A 21 -14.381 -6.727 -15.897 1.00 0.00 C ATOM 440 O ARG A 21 -15.582 -6.556 -15.787 1.00 0.00 O ATOM 441 CB ARG A 21 -14.044 -7.520 -13.567 1.00 0.00 C ATOM 442 CG ARG A 21 -13.934 -8.993 -13.923 1.00 0.00 C ATOM 443 CD ARG A 21 -13.858 -9.800 -12.631 1.00 0.00 C ATOM 444 NE ARG A 21 -14.651 -11.052 -12.777 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.189 -11.609 -11.727 1.00 0.00 C ATOM 446 NH1 ARG A 21 -14.431 -12.180 -10.831 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.485 -11.595 -11.572 1.00 0.00 N ATOM 0 H ARG A 21 -13.830 -5.105 -13.292 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.477 -7.039 -14.958 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.516 -7.323 -12.634 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.089 -7.255 -13.404 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.795 -9.305 -14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.048 -9.170 -14.533 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.820 -10.040 -12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.241 -9.210 -11.799 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.774 -11.474 -13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.418 -12.191 -10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.851 -12.616 -10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.078 -11.148 -12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.905 -12.031 -10.751 1.00 0.00 H new ATOM 461 N GLY A 22 -13.824 -6.956 -17.058 1.00 0.00 N ATOM 462 CA GLY A 22 -14.660 -7.013 -18.296 1.00 0.00 C ATOM 463 C GLY A 22 -14.398 -5.772 -19.169 1.00 0.00 C ATOM 464 O GLY A 22 -15.014 -5.597 -20.205 1.00 0.00 O ATOM 0 H GLY A 22 -12.826 -7.106 -17.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.430 -7.918 -18.858 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.716 -7.063 -18.029 1.00 0.00 H new ATOM 468 N ASP A 23 -13.477 -4.918 -18.766 1.00 0.00 N ATOM 469 CA ASP A 23 -13.163 -3.734 -19.543 1.00 0.00 C ATOM 470 C ASP A 23 -11.923 -4.032 -20.350 1.00 0.00 C ATOM 471 O ASP A 23 -10.837 -4.132 -19.813 1.00 0.00 O ATOM 472 CB ASP A 23 -12.904 -2.548 -18.604 1.00 0.00 C ATOM 473 CG ASP A 23 -13.722 -1.336 -19.058 1.00 0.00 C ATOM 474 OD1 ASP A 23 -13.893 -1.177 -20.256 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.164 -0.589 -18.202 1.00 0.00 O ATOM 0 H ASP A 23 -12.935 -5.021 -17.908 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.993 -3.476 -20.200 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.172 -2.817 -17.582 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.842 -2.301 -18.601 1.00 0.00 H new ATOM 480 N ILE A 24 -12.079 -4.198 -21.618 1.00 0.00 N ATOM 481 CA ILE A 24 -10.910 -4.515 -22.481 1.00 0.00 C ATOM 482 C ILE A 24 -10.194 -3.210 -22.848 1.00 0.00 C ATOM 483 O ILE A 24 -10.815 -2.185 -23.052 1.00 0.00 O ATOM 484 CB ILE A 24 -11.375 -5.272 -23.738 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.449 -6.327 -23.329 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.157 -5.965 -24.353 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.680 -7.353 -24.444 1.00 0.00 C ATOM 0 H ILE A 24 -12.971 -4.129 -22.107 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.212 -5.159 -21.946 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.814 -4.588 -24.464 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.130 -6.840 -22.421 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.387 -5.822 -23.097 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.461 -6.509 -25.247 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.409 -5.218 -24.620 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.732 -6.662 -23.631 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.434 -8.073 -24.126 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.023 -6.842 -25.343 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.747 -7.875 -24.657 1.00 0.00 H new ATOM 499 N LEU A 25 -8.882 -3.241 -22.901 1.00 0.00 N ATOM 500 CA LEU A 25 -8.102 -1.994 -23.215 1.00 0.00 C ATOM 501 C LEU A 25 -7.563 -2.051 -24.645 1.00 0.00 C ATOM 502 O LEU A 25 -7.523 -3.103 -25.259 1.00 0.00 O ATOM 503 CB LEU A 25 -6.908 -1.845 -22.230 1.00 0.00 C ATOM 504 CG LEU A 25 -7.265 -2.300 -20.777 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.694 -1.887 -20.394 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.127 -3.825 -20.663 1.00 0.00 C ATOM 0 H LEU A 25 -8.316 -4.074 -22.741 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.770 -1.139 -23.112 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.066 -2.434 -22.594 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.585 -0.804 -22.212 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.573 -1.810 -20.092 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.909 -2.219 -19.378 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.786 -0.802 -20.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.403 -2.346 -21.083 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.377 -4.138 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.805 -4.305 -21.368 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.101 -4.116 -20.890 1.00 0.00 H new ATOM 518 N LYS A 26 -7.131 -0.919 -25.176 1.00 0.00 N ATOM 519 CA LYS A 26 -6.578 -0.907 -26.585 1.00 0.00 C ATOM 520 C LYS A 26 -5.054 -0.815 -26.529 1.00 0.00 C ATOM 521 O LYS A 26 -4.496 0.253 -26.388 1.00 0.00 O ATOM 522 CB LYS A 26 -7.130 0.298 -27.349 1.00 0.00 C ATOM 523 CG LYS A 26 -8.504 -0.047 -27.925 1.00 0.00 C ATOM 524 CD LYS A 26 -8.927 1.036 -28.924 1.00 0.00 C ATOM 525 CE LYS A 26 -9.665 0.388 -30.098 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.401 1.166 -31.341 1.00 0.00 N ATOM 0 H LYS A 26 -7.136 -0.015 -24.704 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.874 -1.823 -27.096 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.208 1.158 -26.684 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.447 0.577 -28.152 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.470 -1.018 -28.418 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.238 -0.123 -27.123 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.571 1.766 -28.434 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.051 1.575 -29.284 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.335 -0.643 -30.225 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.736 0.357 -29.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.902 0.726 -32.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.737 2.143 -31.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.379 1.173 -31.536 1.00 0.00 H new ATOM 540 N VAL A 27 -4.371 -1.930 -26.631 1.00 0.00 N ATOM 541 CA VAL A 27 -2.879 -1.908 -26.555 1.00 0.00 C ATOM 542 C VAL A 27 -2.294 -0.987 -27.630 1.00 0.00 C ATOM 543 O VAL A 27 -2.273 -1.307 -28.804 1.00 0.00 O ATOM 544 CB VAL A 27 -2.325 -3.334 -26.720 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.791 -3.320 -26.570 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.926 -4.242 -25.636 1.00 0.00 C ATOM 0 H VAL A 27 -4.784 -2.853 -26.764 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.588 -1.522 -25.578 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.590 -3.709 -27.709 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.405 -4.332 -26.688 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.357 -2.675 -27.334 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.525 -2.943 -25.582 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.535 -5.253 -25.751 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.659 -3.859 -24.651 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.011 -4.259 -25.736 1.00 0.00 H new ATOM 556 N LEU A 28 -1.786 0.146 -27.213 1.00 0.00 N ATOM 557 CA LEU A 28 -1.157 1.097 -28.167 1.00 0.00 C ATOM 558 C LEU A 28 0.307 0.704 -28.319 1.00 0.00 C ATOM 559 O LEU A 28 0.921 0.946 -29.343 1.00 0.00 O ATOM 560 CB LEU A 28 -1.202 2.557 -27.638 1.00 0.00 C ATOM 561 CG LEU A 28 -2.474 2.833 -26.800 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.070 3.216 -25.360 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.272 3.988 -27.435 1.00 0.00 C ATOM 0 H LEU A 28 -1.783 0.452 -26.240 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.701 1.052 -29.110 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.318 2.749 -27.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.166 3.249 -28.480 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.093 1.936 -26.777 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.966 3.410 -24.770 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.509 2.397 -24.909 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.449 4.112 -25.382 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.167 4.180 -26.843 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.654 4.886 -27.461 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.560 3.716 -28.450 1.00 0.00 H new ATOM 575 N ASN A 29 0.884 0.106 -27.290 1.00 0.00 N ATOM 576 CA ASN A 29 2.323 -0.288 -27.377 1.00 0.00 C ATOM 577 C ASN A 29 2.650 -1.333 -26.311 1.00 0.00 C ATOM 578 O ASN A 29 1.847 -1.623 -25.444 1.00 0.00 O ATOM 579 CB ASN A 29 3.201 0.952 -27.158 1.00 0.00 C ATOM 580 CG ASN A 29 4.444 0.882 -28.058 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.683 -0.113 -28.717 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.251 1.906 -28.111 1.00 0.00 N ATOM 0 H ASN A 29 0.421 -0.120 -26.410 1.00 0.00 H new ATOM 0 HA ASN A 29 2.517 -0.713 -28.362 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.632 1.855 -27.380 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.502 1.014 -26.112 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.080 1.872 -28.704 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.053 2.741 -27.560 1.00 0.00 H new ATOM 589 N GLU A 30 3.832 -1.893 -26.372 1.00 0.00 N ATOM 590 CA GLU A 30 4.236 -2.915 -25.367 1.00 0.00 C ATOM 591 C GLU A 30 5.620 -2.558 -24.824 1.00 0.00 C ATOM 592 O GLU A 30 6.560 -3.328 -24.909 1.00 0.00 O ATOM 593 CB GLU A 30 4.272 -4.300 -26.024 1.00 0.00 C ATOM 594 CG GLU A 30 2.930 -4.577 -26.708 1.00 0.00 C ATOM 595 CD GLU A 30 3.002 -4.140 -28.173 1.00 0.00 C ATOM 596 OE1 GLU A 30 3.802 -4.705 -28.901 1.00 0.00 O ATOM 597 OE2 GLU A 30 2.255 -3.248 -28.542 1.00 0.00 O ATOM 0 H GLU A 30 4.536 -1.683 -27.080 1.00 0.00 H new ATOM 0 HA GLU A 30 3.517 -2.933 -24.548 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.080 -4.347 -26.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.475 -5.065 -25.274 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.691 -5.639 -26.646 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.132 -4.040 -26.196 1.00 0.00 H new ATOM 604 N GLU A 31 5.741 -1.385 -24.266 1.00 0.00 N ATOM 605 CA GLU A 31 7.050 -0.939 -23.703 1.00 0.00 C ATOM 606 C GLU A 31 7.066 -1.197 -22.207 1.00 0.00 C ATOM 607 O GLU A 31 6.140 -1.761 -21.654 1.00 0.00 O ATOM 608 CB GLU A 31 7.238 0.556 -23.967 1.00 0.00 C ATOM 609 CG GLU A 31 7.424 0.790 -25.469 1.00 0.00 C ATOM 610 CD GLU A 31 8.405 1.942 -25.690 1.00 0.00 C ATOM 611 OE1 GLU A 31 8.233 2.971 -25.057 1.00 0.00 O ATOM 612 OE2 GLU A 31 9.311 1.777 -26.490 1.00 0.00 O ATOM 0 H GLU A 31 4.983 -0.709 -24.175 1.00 0.00 H new ATOM 0 HA GLU A 31 7.860 -1.493 -24.178 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.372 1.112 -23.606 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.105 0.926 -23.420 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.798 -0.116 -25.945 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.465 1.021 -25.933 1.00 0.00 H new ATOM 619 N CYS A 32 8.120 -0.795 -21.542 1.00 0.00 N ATOM 620 CA CYS A 32 8.215 -1.019 -20.059 1.00 0.00 C ATOM 621 C CYS A 32 8.353 -2.510 -19.796 1.00 0.00 C ATOM 622 O CYS A 32 8.688 -3.275 -20.679 1.00 0.00 O ATOM 623 CB CYS A 32 6.950 -0.471 -19.361 1.00 0.00 C ATOM 624 SG CYS A 32 7.406 0.371 -17.820 1.00 0.00 S ATOM 0 H CYS A 32 8.921 -0.321 -21.959 1.00 0.00 H new ATOM 0 HA CYS A 32 9.084 -0.495 -19.661 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.431 0.222 -20.023 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.260 -1.287 -19.148 1.00 0.00 H new ATOM 0 HG CYS A 32 6.335 0.830 -17.243 1.00 0.00 H new ATOM 630 N ASP A 33 8.114 -2.915 -18.574 1.00 0.00 N ATOM 631 CA ASP A 33 8.227 -4.355 -18.168 1.00 0.00 C ATOM 632 C ASP A 33 7.685 -5.287 -19.225 1.00 0.00 C ATOM 633 O ASP A 33 6.911 -4.896 -20.084 1.00 0.00 O ATOM 634 CB ASP A 33 7.430 -4.575 -16.883 1.00 0.00 C ATOM 635 CG ASP A 33 8.072 -5.696 -16.065 1.00 0.00 C ATOM 636 OD1 ASP A 33 9.209 -5.527 -15.655 1.00 0.00 O ATOM 637 OD2 ASP A 33 7.416 -6.705 -15.861 1.00 0.00 O ATOM 0 H ASP A 33 7.837 -2.290 -17.817 1.00 0.00 H new ATOM 0 HA ASP A 33 9.285 -4.575 -18.024 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.402 -3.655 -16.299 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.398 -4.832 -17.123 1.00 0.00 H new ATOM 642 N GLN A 34 8.080 -6.527 -19.161 1.00 0.00 N ATOM 643 CA GLN A 34 7.594 -7.495 -20.145 1.00 0.00 C ATOM 644 C GLN A 34 6.325 -8.182 -19.618 1.00 0.00 C ATOM 645 O GLN A 34 5.945 -9.240 -20.089 1.00 0.00 O ATOM 646 CB GLN A 34 8.678 -8.542 -20.416 1.00 0.00 C ATOM 647 CG GLN A 34 8.684 -8.905 -21.906 1.00 0.00 C ATOM 648 CD GLN A 34 9.845 -8.195 -22.608 1.00 0.00 C ATOM 649 OE1 GLN A 34 10.980 -8.299 -22.186 1.00 0.00 O ATOM 650 NE2 GLN A 34 9.608 -7.472 -23.667 1.00 0.00 N ATOM 0 H GLN A 34 8.722 -6.900 -18.461 1.00 0.00 H new ATOM 0 HA GLN A 34 7.357 -6.975 -21.073 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.653 -8.154 -20.122 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.495 -9.433 -19.815 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.779 -9.984 -22.026 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.738 -8.616 -22.364 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.656 -7.384 -24.022 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.375 -6.994 -24.140 1.00 0.00 H new ATOM 659 N ASN A 35 5.670 -7.593 -18.637 1.00 0.00 N ATOM 660 CA ASN A 35 4.438 -8.217 -18.080 1.00 0.00 C ATOM 661 C ASN A 35 3.269 -7.242 -18.083 1.00 0.00 C ATOM 662 O ASN A 35 2.155 -7.649 -17.936 1.00 0.00 O ATOM 663 CB ASN A 35 4.701 -8.694 -16.655 1.00 0.00 C ATOM 664 CG ASN A 35 5.603 -9.928 -16.689 1.00 0.00 C ATOM 665 OD1 ASN A 35 6.732 -9.881 -16.246 1.00 0.00 O ATOM 666 ND2 ASN A 35 5.147 -11.037 -17.200 1.00 0.00 N ATOM 0 H ASN A 35 5.941 -6.710 -18.205 1.00 0.00 H new ATOM 0 HA ASN A 35 4.175 -9.064 -18.713 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.174 -7.901 -16.076 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.759 -8.932 -16.160 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.739 -11.867 -17.228 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.198 -11.075 -17.572 1.00 0.00 H new ATOM 673 N TRP A 36 3.506 -5.974 -18.260 1.00 0.00 N ATOM 674 CA TRP A 36 2.359 -4.991 -18.281 1.00 0.00 C ATOM 675 C TRP A 36 2.248 -4.388 -19.697 1.00 0.00 C ATOM 676 O TRP A 36 3.238 -4.055 -20.319 1.00 0.00 O ATOM 677 CB TRP A 36 2.569 -3.850 -17.256 1.00 0.00 C ATOM 678 CG TRP A 36 2.848 -4.385 -15.858 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.816 -5.287 -15.537 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.199 -4.030 -14.581 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.785 -5.513 -14.172 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.822 -4.767 -13.542 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.140 -3.160 -14.220 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.428 -4.646 -12.209 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.748 -3.040 -12.868 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.394 -3.779 -11.871 1.00 0.00 C ATOM 0 H TRP A 36 4.432 -5.566 -18.391 1.00 0.00 H new ATOM 0 HA TRP A 36 1.445 -5.521 -18.013 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.401 -3.223 -17.577 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.682 -3.216 -17.232 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.498 -5.751 -16.235 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.408 -6.161 -13.689 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.631 -2.587 -14.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.924 -5.223 -11.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.058 -2.372 -12.602 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.090 -3.676 -10.840 1.00 0.00 H new ATOM 697 N TYR A 37 1.045 -4.266 -20.208 1.00 0.00 N ATOM 698 CA TYR A 37 0.845 -3.708 -21.589 1.00 0.00 C ATOM 699 C TYR A 37 0.485 -2.223 -21.542 1.00 0.00 C ATOM 700 O TYR A 37 -0.200 -1.774 -20.656 1.00 0.00 O ATOM 701 CB TYR A 37 -0.355 -4.385 -22.250 1.00 0.00 C ATOM 702 CG TYR A 37 -0.123 -5.853 -22.493 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.073 -6.309 -23.056 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.142 -6.759 -22.179 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.251 -7.677 -23.299 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.973 -8.119 -22.425 1.00 0.00 C ATOM 707 CZ TYR A 37 0.226 -8.584 -22.986 1.00 0.00 C ATOM 708 OH TYR A 37 0.395 -9.931 -23.240 1.00 0.00 O ATOM 0 H TYR A 37 0.186 -4.530 -19.726 1.00 0.00 H new ATOM 0 HA TYR A 37 1.776 -3.873 -22.131 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.234 -4.258 -21.618 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.570 -3.892 -23.198 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.857 -5.609 -23.303 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.064 -6.402 -21.744 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.176 -8.034 -23.727 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.763 -8.815 -22.184 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.408 -10.419 -22.963 1.00 0.00 H new ATOM 718 N LYS A 38 0.864 -1.486 -22.553 1.00 0.00 N ATOM 719 CA LYS A 38 0.460 -0.056 -22.634 1.00 0.00 C ATOM 720 C LYS A 38 -0.810 -0.036 -23.482 1.00 0.00 C ATOM 721 O LYS A 38 -0.851 -0.649 -24.532 1.00 0.00 O ATOM 722 CB LYS A 38 1.547 0.766 -23.315 1.00 0.00 C ATOM 723 CG LYS A 38 1.137 2.240 -23.312 1.00 0.00 C ATOM 724 CD LYS A 38 1.420 2.867 -24.684 1.00 0.00 C ATOM 725 CE LYS A 38 2.311 4.096 -24.510 1.00 0.00 C ATOM 726 NZ LYS A 38 2.209 4.963 -25.717 1.00 0.00 N ATOM 0 H LYS A 38 1.438 -1.817 -23.328 1.00 0.00 H new ATOM 0 HA LYS A 38 0.300 0.371 -21.644 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.496 0.639 -22.794 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.695 0.419 -24.338 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.077 2.331 -23.073 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.685 2.777 -22.538 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.908 2.140 -25.334 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.484 3.149 -25.167 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.010 4.653 -23.623 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.346 3.789 -24.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.816 5.799 -25.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.517 4.429 -26.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.223 5.267 -25.844 1.00 0.00 H new ATOM 740 N ALA A 39 -1.859 0.606 -23.029 1.00 0.00 N ATOM 741 CA ALA A 39 -3.135 0.584 -23.821 1.00 0.00 C ATOM 742 C ALA A 39 -3.994 1.764 -23.529 1.00 0.00 C ATOM 743 O ALA A 39 -3.580 2.706 -22.890 1.00 0.00 O ATOM 744 CB ALA A 39 -3.865 -0.700 -23.501 1.00 0.00 C ATOM 0 H ALA A 39 -1.891 1.138 -22.159 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.896 0.632 -24.883 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.797 -0.739 -24.065 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.240 -1.551 -23.772 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.085 -0.737 -22.434 1.00 0.00 H new ATOM 750 N GLU A 40 -5.184 1.757 -24.070 1.00 0.00 N ATOM 751 CA GLU A 40 -6.049 2.924 -23.901 1.00 0.00 C ATOM 752 C GLU A 40 -7.540 2.569 -23.908 1.00 0.00 C ATOM 753 O GLU A 40 -8.044 1.858 -24.748 1.00 0.00 O ATOM 754 CB GLU A 40 -5.667 3.918 -25.013 1.00 0.00 C ATOM 755 CG GLU A 40 -6.799 4.145 -26.042 1.00 0.00 C ATOM 756 CD GLU A 40 -6.390 5.246 -27.022 1.00 0.00 C ATOM 757 OE1 GLU A 40 -5.819 6.227 -26.576 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.654 5.088 -28.203 1.00 0.00 O ATOM 0 H GLU A 40 -5.578 0.991 -24.616 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.894 3.372 -22.919 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.398 4.873 -24.561 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.782 3.550 -25.532 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.003 3.221 -26.583 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.719 4.424 -25.529 1.00 0.00 H new ATOM 765 N LEU A 41 -8.220 3.127 -22.983 1.00 0.00 N ATOM 766 CA LEU A 41 -9.690 2.921 -22.865 1.00 0.00 C ATOM 767 C LEU A 41 -10.450 4.090 -23.394 1.00 0.00 C ATOM 768 O LEU A 41 -10.691 5.073 -22.726 1.00 0.00 O ATOM 769 CB LEU A 41 -10.080 2.666 -21.427 1.00 0.00 C ATOM 770 CG LEU A 41 -10.029 1.183 -21.188 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.805 0.902 -19.696 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.351 0.579 -21.653 1.00 0.00 C ATOM 0 H LEU A 41 -7.821 3.740 -22.272 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.945 2.047 -23.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.401 3.185 -20.750 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.081 3.050 -21.230 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.204 0.737 -21.744 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.769 -0.175 -19.530 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.863 1.350 -19.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.623 1.331 -19.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.336 -0.498 -21.489 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.172 1.021 -21.088 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.490 0.782 -22.715 1.00 0.00 H new ATOM 784 N ASN A 42 -10.874 3.940 -24.591 1.00 0.00 N ATOM 785 CA ASN A 42 -11.698 4.975 -25.276 1.00 0.00 C ATOM 786 C ASN A 42 -11.202 6.426 -25.037 1.00 0.00 C ATOM 787 O ASN A 42 -11.972 7.364 -25.164 1.00 0.00 O ATOM 788 CB ASN A 42 -13.109 4.865 -24.753 1.00 0.00 C ATOM 789 CG ASN A 42 -13.915 3.891 -25.616 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.523 2.971 -25.108 1.00 0.00 O ATOM 791 ND2 ASN A 42 -13.946 4.057 -26.912 1.00 0.00 N ATOM 0 H ASN A 42 -10.684 3.114 -25.159 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.628 4.788 -26.348 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.096 4.522 -23.719 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.584 5.846 -24.757 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.481 3.414 -27.496 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.436 4.830 -27.340 1.00 0.00 H new ATOM 798 N GLY A 43 -9.960 6.622 -24.706 1.00 0.00 N ATOM 799 CA GLY A 43 -9.459 8.019 -24.471 1.00 0.00 C ATOM 800 C GLY A 43 -8.334 8.018 -23.434 1.00 0.00 C ATOM 801 O GLY A 43 -7.350 8.721 -23.582 1.00 0.00 O ATOM 0 H GLY A 43 -9.265 5.885 -24.586 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.098 8.444 -25.407 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.277 8.652 -24.128 1.00 0.00 H new ATOM 805 N LYS A 44 -8.458 7.220 -22.395 1.00 0.00 N ATOM 806 CA LYS A 44 -7.411 7.156 -21.382 1.00 0.00 C ATOM 807 C LYS A 44 -6.392 6.178 -21.840 1.00 0.00 C ATOM 808 O LYS A 44 -6.574 5.502 -22.833 1.00 0.00 O ATOM 809 CB LYS A 44 -7.979 6.704 -20.047 1.00 0.00 C ATOM 810 CG LYS A 44 -8.418 7.926 -19.251 1.00 0.00 C ATOM 811 CD LYS A 44 -9.572 8.642 -19.967 1.00 0.00 C ATOM 812 CE LYS A 44 -10.791 7.718 -20.027 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.970 8.484 -20.521 1.00 0.00 N ATOM 0 H LYS A 44 -9.259 6.612 -22.225 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.972 8.144 -21.247 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.825 6.035 -20.206 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.229 6.143 -19.490 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.732 7.624 -18.252 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.578 8.609 -19.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.826 9.562 -19.440 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.268 8.926 -20.975 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.589 6.874 -20.687 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.999 7.307 -19.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.799 7.857 -20.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.166 9.275 -19.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.769 8.855 -21.471 1.00 0.00 H new ATOM 827 N ASP A 45 -5.320 6.102 -21.144 1.00 0.00 N ATOM 828 CA ASP A 45 -4.264 5.181 -21.534 1.00 0.00 C ATOM 829 C ASP A 45 -3.242 4.956 -20.403 1.00 0.00 C ATOM 830 O ASP A 45 -3.338 5.516 -19.329 1.00 0.00 O ATOM 831 CB ASP A 45 -3.610 5.762 -22.802 1.00 0.00 C ATOM 832 CG ASP A 45 -2.375 6.642 -22.484 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.428 7.370 -21.505 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.410 6.565 -23.225 1.00 0.00 O ATOM 0 H ASP A 45 -5.130 6.651 -20.306 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.677 4.193 -21.739 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.310 4.945 -23.459 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.345 6.356 -23.346 1.00 0.00 H new ATOM 839 N GLY A 46 -2.250 4.145 -20.679 1.00 0.00 N ATOM 840 CA GLY A 46 -1.186 3.872 -19.683 1.00 0.00 C ATOM 841 C GLY A 46 -0.944 2.369 -19.548 1.00 0.00 C ATOM 842 O GLY A 46 -1.690 1.557 -20.051 1.00 0.00 O ATOM 0 H GLY A 46 -2.137 3.657 -21.568 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.263 4.368 -19.984 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.471 4.288 -18.716 1.00 0.00 H new ATOM 846 N PHE A 47 0.116 2.008 -18.877 1.00 0.00 N ATOM 847 CA PHE A 47 0.466 0.565 -18.706 1.00 0.00 C ATOM 848 C PHE A 47 -0.557 -0.147 -17.820 1.00 0.00 C ATOM 849 O PHE A 47 -1.277 0.474 -17.070 1.00 0.00 O ATOM 850 CB PHE A 47 1.838 0.473 -18.046 1.00 0.00 C ATOM 851 CG PHE A 47 2.887 0.987 -19.000 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.252 0.227 -20.116 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.491 2.229 -18.771 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.220 0.709 -21.004 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.460 2.711 -19.659 1.00 0.00 C ATOM 856 CZ PHE A 47 4.825 1.950 -20.776 1.00 0.00 C ATOM 0 H PHE A 47 0.764 2.659 -18.434 1.00 0.00 H new ATOM 0 HA PHE A 47 0.470 0.086 -19.685 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.851 1.056 -17.125 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.054 -0.560 -17.772 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.787 -0.732 -20.292 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.209 2.816 -17.909 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.501 0.123 -21.866 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.926 3.669 -19.482 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.573 2.321 -21.461 1.00 0.00 H new ATOM 866 N ILE A 48 -0.607 -1.461 -17.889 1.00 0.00 N ATOM 867 CA ILE A 48 -1.556 -2.226 -17.038 1.00 0.00 C ATOM 868 C ILE A 48 -0.955 -3.624 -16.812 1.00 0.00 C ATOM 869 O ILE A 48 -0.384 -4.173 -17.717 1.00 0.00 O ATOM 870 CB ILE A 48 -2.923 -2.347 -17.735 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.728 -2.790 -19.192 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.622 -0.991 -17.710 1.00 0.00 C ATOM 873 CD1 ILE A 48 -4.091 -2.999 -19.860 1.00 0.00 C ATOM 0 H ILE A 48 -0.025 -2.030 -18.504 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.708 -1.714 -16.088 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.530 -3.086 -17.212 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.158 -2.038 -19.737 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.151 -3.714 -19.226 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.591 -1.072 -18.203 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.766 -0.675 -16.677 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.009 -0.256 -18.233 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.945 -3.313 -20.894 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.646 -3.768 -19.322 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.653 -2.065 -19.840 1.00 0.00 H new ATOM 885 N PRO A 49 -1.081 -4.173 -15.616 1.00 0.00 N ATOM 886 CA PRO A 49 -0.526 -5.495 -15.335 1.00 0.00 C ATOM 887 C PRO A 49 -1.295 -6.573 -16.076 1.00 0.00 C ATOM 888 O PRO A 49 -2.446 -6.802 -15.837 1.00 0.00 O ATOM 889 CB PRO A 49 -0.636 -5.652 -13.823 1.00 0.00 C ATOM 890 CG PRO A 49 -1.719 -4.640 -13.367 1.00 0.00 C ATOM 891 CD PRO A 49 -1.780 -3.556 -14.477 1.00 0.00 C ATOM 0 HA PRO A 49 0.506 -5.593 -15.670 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.917 -6.671 -13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.319 -5.447 -13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.685 -5.130 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.461 -4.199 -12.404 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.809 -3.302 -14.731 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.292 -2.634 -14.161 1.00 0.00 H new ATOM 899 N LYS A 50 -0.629 -7.208 -16.992 1.00 0.00 N ATOM 900 CA LYS A 50 -1.232 -8.293 -17.825 1.00 0.00 C ATOM 901 C LYS A 50 -1.860 -9.410 -16.961 1.00 0.00 C ATOM 902 O LYS A 50 -2.636 -10.195 -17.459 1.00 0.00 O ATOM 903 CB LYS A 50 -0.108 -8.874 -18.657 1.00 0.00 C ATOM 904 CG LYS A 50 -0.600 -9.956 -19.597 1.00 0.00 C ATOM 905 CD LYS A 50 0.629 -10.605 -20.227 1.00 0.00 C ATOM 906 CE LYS A 50 0.307 -12.046 -20.624 1.00 0.00 C ATOM 907 NZ LYS A 50 1.462 -12.629 -21.364 1.00 0.00 N ATOM 0 H LYS A 50 0.349 -7.015 -17.210 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.033 -7.881 -18.439 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.364 -8.079 -19.234 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.656 -9.286 -17.998 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.190 -10.696 -19.056 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.247 -9.532 -20.365 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.942 -10.038 -21.104 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.461 -10.589 -19.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.094 -12.640 -19.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.587 -12.072 -21.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.242 -13.609 -21.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.645 -12.067 -22.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.305 -12.618 -20.756 1.00 0.00 H new ATOM 921 N ASN A 51 -1.531 -9.498 -15.687 1.00 0.00 N ATOM 922 CA ASN A 51 -2.112 -10.544 -14.836 1.00 0.00 C ATOM 923 C ASN A 51 -3.626 -10.359 -14.754 1.00 0.00 C ATOM 924 O ASN A 51 -4.382 -11.308 -14.673 1.00 0.00 O ATOM 925 CB ASN A 51 -1.493 -10.438 -13.481 1.00 0.00 C ATOM 926 CG ASN A 51 -0.240 -11.313 -13.405 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.655 -11.185 -14.216 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.140 -12.204 -12.458 1.00 0.00 N ATOM 0 H ASN A 51 -0.877 -8.874 -15.215 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.914 -11.532 -15.252 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.234 -9.400 -13.271 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.209 -10.748 -12.720 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.690 -12.794 -12.398 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.892 -12.311 -11.777 1.00 0.00 H new ATOM 935 N TYR A 52 -4.063 -9.137 -14.819 1.00 0.00 N ATOM 936 CA TYR A 52 -5.512 -8.829 -14.797 1.00 0.00 C ATOM 937 C TYR A 52 -5.952 -8.601 -16.224 1.00 0.00 C ATOM 938 O TYR A 52 -6.810 -7.774 -16.495 1.00 0.00 O ATOM 939 CB TYR A 52 -5.739 -7.528 -14.016 1.00 0.00 C ATOM 940 CG TYR A 52 -5.630 -7.714 -12.563 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.471 -8.220 -11.990 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.683 -7.312 -11.779 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.385 -8.334 -10.615 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.610 -7.411 -10.414 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.458 -7.927 -9.812 1.00 0.00 C ATOM 946 OH TYR A 52 -5.378 -8.031 -8.438 1.00 0.00 O ATOM 0 H TYR A 52 -3.459 -8.318 -14.888 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.067 -9.644 -14.333 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.011 -6.783 -14.339 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.726 -7.133 -14.255 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.643 -8.522 -12.614 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.575 -6.915 -12.241 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.492 -8.736 -10.161 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.442 -7.091 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.564 -8.519 -8.194 1.00 0.00 H new ATOM 956 N ILE A 53 -5.344 -9.293 -17.158 1.00 0.00 N ATOM 957 CA ILE A 53 -5.701 -9.076 -18.568 1.00 0.00 C ATOM 958 C ILE A 53 -5.347 -10.292 -19.431 1.00 0.00 C ATOM 959 O ILE A 53 -4.716 -11.234 -18.998 1.00 0.00 O ATOM 960 CB ILE A 53 -4.944 -7.859 -19.154 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.332 -6.981 -18.051 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.891 -7.004 -19.994 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.544 -5.843 -18.676 1.00 0.00 C ATOM 0 H ILE A 53 -4.621 -9.993 -16.992 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.777 -8.903 -18.587 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.137 -8.251 -19.774 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.120 -6.582 -17.412 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.680 -7.581 -17.416 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.347 -6.151 -20.401 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.292 -7.602 -20.812 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.710 -6.648 -19.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.113 -5.224 -17.889 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.745 -6.251 -19.296 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.208 -5.236 -19.292 1.00 0.00 H new ATOM 975 N GLU A 54 -5.712 -10.210 -20.677 1.00 0.00 N ATOM 976 CA GLU A 54 -5.397 -11.247 -21.654 1.00 0.00 C ATOM 977 C GLU A 54 -5.319 -10.557 -23.016 1.00 0.00 C ATOM 978 O GLU A 54 -5.808 -9.454 -23.178 1.00 0.00 O ATOM 979 CB GLU A 54 -6.461 -12.326 -21.658 1.00 0.00 C ATOM 980 CG GLU A 54 -5.871 -13.649 -21.155 1.00 0.00 C ATOM 981 CD GLU A 54 -6.558 -14.818 -21.863 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.735 -15.026 -21.617 1.00 0.00 O ATOM 983 OE2 GLU A 54 -5.895 -15.488 -22.639 1.00 0.00 O ATOM 0 H GLU A 54 -6.239 -9.425 -21.060 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.454 -11.736 -21.410 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.296 -12.027 -21.024 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.856 -12.455 -22.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.798 -13.676 -21.344 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.007 -13.733 -20.077 1.00 0.00 H new ATOM 990 N MET A 55 -4.688 -11.169 -23.974 1.00 0.00 N ATOM 991 CA MET A 55 -4.524 -10.503 -25.313 1.00 0.00 C ATOM 992 C MET A 55 -5.583 -10.935 -26.330 1.00 0.00 C ATOM 993 O MET A 55 -5.575 -12.050 -26.816 1.00 0.00 O ATOM 994 CB MET A 55 -3.139 -10.840 -25.868 1.00 0.00 C ATOM 995 CG MET A 55 -2.688 -9.731 -26.818 1.00 0.00 C ATOM 996 SD MET A 55 -0.938 -9.954 -27.219 1.00 0.00 S ATOM 997 CE MET A 55 -0.805 -8.598 -28.411 1.00 0.00 C ATOM 0 H MET A 55 -4.276 -12.099 -23.898 1.00 0.00 H new ATOM 0 HA MET A 55 -4.643 -9.431 -25.157 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.425 -10.947 -25.052 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.168 -11.794 -26.394 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.286 -9.752 -27.729 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.845 -8.756 -26.356 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.214 -8.550 -28.795 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.496 -8.770 -29.236 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.053 -7.657 -27.920 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.480 -10.035 -26.675 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.507 -10.338 -27.662 1.00 0.00 C ATOM 1009 C LYS A 56 -7.204 -9.636 -28.989 1.00 0.00 C ATOM 1010 O LYS A 56 -6.519 -8.619 -29.017 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.832 -9.860 -27.149 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.497 -10.968 -26.366 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.730 -10.411 -25.651 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.741 -9.916 -26.686 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.209 -11.063 -27.518 1.00 0.00 N ATOM 0 H LYS A 56 -6.523 -9.091 -26.291 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.528 -11.415 -27.830 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.694 -8.984 -26.515 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.468 -9.555 -27.980 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.785 -11.779 -27.035 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.799 -11.386 -25.640 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.181 -11.183 -25.027 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.442 -9.594 -24.989 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.588 -9.447 -26.186 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.285 -9.156 -27.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.119 -10.823 -27.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.507 -11.264 -28.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.327 -11.903 -26.916 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.733 -10.204 -30.072 1.00 0.00 N ATOM 1030 CA PRO A 57 -7.532 -9.659 -31.389 1.00 0.00 C ATOM 1031 C PRO A 57 -8.440 -8.446 -31.624 1.00 0.00 C ATOM 1032 O PRO A 57 -9.004 -7.894 -30.697 1.00 0.00 O ATOM 1033 CB PRO A 57 -7.891 -10.798 -32.328 1.00 0.00 C ATOM 1034 CG PRO A 57 -8.804 -11.734 -31.527 1.00 0.00 C ATOM 1035 CD PRO A 57 -8.568 -11.423 -30.051 1.00 0.00 C ATOM 0 HA PRO A 57 -6.513 -9.304 -31.540 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.399 -10.425 -33.218 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.997 -11.321 -32.667 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.849 -11.576 -31.793 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.574 -12.777 -31.744 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.507 -11.255 -29.523 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.061 -12.245 -29.546 1.00 0.00 H new ATOM 1043 N HIS A 58 -8.589 -8.033 -32.861 1.00 0.00 N ATOM 1044 CA HIS A 58 -9.465 -6.861 -33.167 1.00 0.00 C ATOM 1045 C HIS A 58 -10.486 -7.257 -34.259 1.00 0.00 C ATOM 1046 O HIS A 58 -10.250 -8.192 -34.997 1.00 0.00 O ATOM 1047 CB HIS A 58 -8.605 -5.695 -33.669 1.00 0.00 C ATOM 1048 CG HIS A 58 -7.762 -6.152 -34.828 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.104 -5.880 -36.143 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -6.590 -6.863 -34.885 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -7.155 -6.421 -36.929 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -6.207 -7.033 -36.212 1.00 0.00 N ATOM 0 H HIS A 58 -8.140 -8.459 -33.672 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.995 -6.556 -32.265 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -9.242 -4.865 -33.975 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.967 -5.328 -32.865 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -8.925 -5.364 -36.458 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.047 -7.235 -34.029 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -7.159 -6.367 -38.008 1.00 0.00 H new ATOM 1060 N PRO A 59 -11.603 -6.532 -34.336 1.00 0.00 N ATOM 1061 CA PRO A 59 -12.642 -6.819 -35.332 1.00 0.00 C ATOM 1062 C PRO A 59 -12.231 -6.271 -36.704 1.00 0.00 C ATOM 1063 O PRO A 59 -11.202 -5.637 -36.846 1.00 0.00 O ATOM 1064 CB PRO A 59 -13.879 -6.087 -34.797 1.00 0.00 C ATOM 1065 CG PRO A 59 -13.352 -4.974 -33.850 1.00 0.00 C ATOM 1066 CD PRO A 59 -11.919 -5.385 -33.448 1.00 0.00 C ATOM 0 HA PRO A 59 -12.817 -7.886 -35.470 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -14.461 -5.659 -35.613 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.536 -6.773 -34.263 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.352 -4.006 -34.351 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.989 -4.878 -32.971 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.215 -4.565 -33.592 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.867 -5.670 -32.397 1.00 0.00 H new ATOM 1074 N GLU A 60 -13.030 -6.516 -37.717 1.00 0.00 N ATOM 1075 CA GLU A 60 -12.691 -6.016 -39.084 1.00 0.00 C ATOM 1076 C GLU A 60 -13.928 -5.374 -39.717 1.00 0.00 C ATOM 1077 O GLU A 60 -15.035 -5.524 -39.232 1.00 0.00 O ATOM 1078 CB GLU A 60 -12.222 -7.189 -39.952 1.00 0.00 C ATOM 1079 CG GLU A 60 -11.093 -6.724 -40.875 1.00 0.00 C ATOM 1080 CD GLU A 60 -9.742 -7.016 -40.219 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -9.515 -8.159 -39.861 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -8.960 -6.090 -40.084 1.00 0.00 O ATOM 0 H GLU A 60 -13.902 -7.041 -37.653 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.896 -5.274 -39.013 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.875 -8.007 -39.320 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.054 -7.573 -40.543 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.161 -7.235 -41.835 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.189 -5.657 -41.075 1.00 0.00 H new ATOM 1089 N PHE A 61 -13.747 -4.657 -40.803 1.00 0.00 N ATOM 1090 CA PHE A 61 -14.908 -3.997 -41.483 1.00 0.00 C ATOM 1091 C PHE A 61 -15.585 -3.022 -40.512 1.00 0.00 C ATOM 1092 O PHE A 61 -15.175 -2.878 -39.374 1.00 0.00 O ATOM 1093 CB PHE A 61 -15.919 -5.075 -41.931 1.00 0.00 C ATOM 1094 CG PHE A 61 -16.028 -5.086 -43.440 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -16.927 -4.227 -44.083 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -15.233 -5.958 -44.193 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -17.031 -4.239 -45.479 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -15.337 -5.970 -45.590 1.00 0.00 C ATOM 1099 CZ PHE A 61 -16.236 -5.111 -46.233 1.00 0.00 C ATOM 0 H PHE A 61 -12.843 -4.501 -41.248 1.00 0.00 H new ATOM 0 HA PHE A 61 -14.556 -3.447 -42.356 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -15.601 -6.055 -41.574 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -16.895 -4.876 -41.489 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.541 -3.555 -43.502 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -14.540 -6.621 -43.697 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -17.724 -3.576 -45.975 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -14.723 -6.642 -46.171 1.00 0.00 H new ATOM 0 HZ PHE A 61 -16.316 -5.121 -47.310 1.00 0.00 H new ATOM 1109 N ILE A 62 -16.622 -2.354 -40.956 1.00 0.00 N ATOM 1110 CA ILE A 62 -17.336 -1.388 -40.069 1.00 0.00 C ATOM 1111 C ILE A 62 -18.847 -1.498 -40.323 1.00 0.00 C ATOM 1112 O ILE A 62 -19.542 -0.506 -40.458 1.00 0.00 O ATOM 1113 CB ILE A 62 -16.840 0.041 -40.367 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -17.546 1.048 -39.428 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -17.137 0.401 -41.829 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -16.538 1.614 -38.424 1.00 0.00 C ATOM 0 H ILE A 62 -17.004 -2.438 -41.898 1.00 0.00 H new ATOM 0 HA ILE A 62 -17.134 -1.617 -39.023 1.00 0.00 H new ATOM 0 HB ILE A 62 -15.764 0.087 -40.198 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -17.986 1.857 -40.011 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -18.363 0.556 -38.900 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.784 1.412 -42.034 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -16.627 -0.302 -42.488 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -18.211 0.349 -42.006 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -17.040 2.323 -37.765 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -16.119 0.801 -37.831 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -15.737 2.122 -38.960 1.00 0.00 H new ATOM 1128 N VAL A 63 -19.355 -2.704 -40.391 1.00 0.00 N ATOM 1129 CA VAL A 63 -20.814 -2.900 -40.636 1.00 0.00 C ATOM 1130 C VAL A 63 -21.136 -4.401 -40.584 1.00 0.00 C ATOM 1131 O VAL A 63 -20.391 -5.221 -41.089 1.00 0.00 O ATOM 1132 CB VAL A 63 -21.181 -2.321 -42.018 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -20.375 -3.029 -43.110 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -22.680 -2.517 -42.282 1.00 0.00 C ATOM 0 H VAL A 63 -18.817 -3.564 -40.287 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.395 -2.384 -39.871 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.947 -1.257 -42.030 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -20.639 -2.615 -44.083 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -19.310 -2.881 -42.930 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -20.601 -4.095 -43.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -22.934 -2.106 -43.259 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -22.917 -3.581 -42.263 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -23.255 -2.003 -41.512 1.00 0.00 H new ATOM 1144 N THR A 64 -22.240 -4.759 -39.973 1.00 0.00 N ATOM 1145 CA THR A 64 -22.616 -6.202 -39.881 1.00 0.00 C ATOM 1146 C THR A 64 -23.778 -6.488 -40.834 1.00 0.00 C ATOM 1147 O THR A 64 -23.897 -7.574 -41.372 1.00 0.00 O ATOM 1148 CB THR A 64 -23.040 -6.527 -38.446 1.00 0.00 C ATOM 1149 OG1 THR A 64 -22.104 -5.960 -37.539 1.00 0.00 O ATOM 1150 CG2 THR A 64 -23.082 -8.043 -38.256 1.00 0.00 C ATOM 0 H THR A 64 -22.896 -4.113 -39.534 1.00 0.00 H new ATOM 0 HA THR A 64 -21.761 -6.819 -40.156 1.00 0.00 H new ATOM 0 HB THR A 64 -24.030 -6.112 -38.256 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.374 -6.165 -36.620 1.00 0.00 H new ATOM 0 HG21 THR A 64 -23.384 -8.273 -37.234 1.00 0.00 H new ATOM 0 HG22 THR A 64 -23.799 -8.477 -38.953 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.093 -8.461 -38.445 1.00 0.00 H new ATOM 1158 N ASP A 65 -24.635 -5.520 -41.046 1.00 0.00 N ATOM 1159 CA ASP A 65 -25.794 -5.726 -41.964 1.00 0.00 C ATOM 1160 C ASP A 65 -25.322 -5.624 -43.415 1.00 0.00 C ATOM 1161 O ASP A 65 -24.899 -4.549 -43.805 1.00 0.00 O ATOM 1162 CB ASP A 65 -26.853 -4.655 -41.695 1.00 0.00 C ATOM 1163 CG ASP A 65 -27.686 -5.054 -40.475 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -27.094 -5.355 -39.452 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -28.901 -5.052 -40.585 1.00 0.00 O ATOM 1166 OXT ASP A 65 -25.391 -6.623 -44.111 1.00 0.00 O ATOM 0 H ASP A 65 -24.580 -4.594 -40.621 1.00 0.00 H new ATOM 0 HA ASP A 65 -26.223 -6.713 -41.792 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -26.375 -3.691 -41.522 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -27.498 -4.539 -42.566 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -9.242 -21.594 -4.177 1.00 0.00 N ATOM 1173 CA SER B 1 -8.744 -21.117 -2.844 1.00 0.00 C ATOM 1174 C SER B 1 -8.298 -19.631 -2.927 1.00 0.00 C ATOM 1175 O SER B 1 -8.712 -18.839 -2.105 1.00 0.00 O ATOM 1176 CB SER B 1 -7.565 -21.983 -2.367 1.00 0.00 C ATOM 1177 OG SER B 1 -7.610 -23.251 -3.012 1.00 0.00 O ATOM 0 H1 SER B 1 -10.097 -22.171 -4.042 1.00 0.00 H new ATOM 0 H2 SER B 1 -9.468 -20.775 -4.777 1.00 0.00 H new ATOM 0 H3 SER B 1 -8.507 -22.168 -4.637 1.00 0.00 H new ATOM 0 HA SER B 1 -9.562 -21.203 -2.128 1.00 0.00 H new ATOM 0 HB2 SER B 1 -6.622 -21.484 -2.589 1.00 0.00 H new ATOM 0 HB3 SER B 1 -7.610 -22.112 -1.286 1.00 0.00 H new ATOM 0 HG SER B 1 -6.857 -23.800 -2.708 1.00 0.00 H new ATOM 1185 N PRO B 2 -7.463 -19.278 -3.912 1.00 0.00 N ATOM 1186 CA PRO B 2 -6.993 -17.895 -4.055 1.00 0.00 C ATOM 1187 C PRO B 2 -8.067 -17.033 -4.731 1.00 0.00 C ATOM 1188 O PRO B 2 -8.842 -17.513 -5.538 1.00 0.00 O ATOM 1189 CB PRO B 2 -5.755 -18.014 -4.948 1.00 0.00 C ATOM 1190 CG PRO B 2 -5.907 -19.349 -5.729 1.00 0.00 C ATOM 1191 CD PRO B 2 -6.925 -20.202 -4.943 1.00 0.00 C ATOM 0 HA PRO B 2 -6.774 -17.422 -3.098 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -5.687 -17.169 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -4.843 -18.015 -4.351 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -6.256 -19.166 -6.745 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -4.949 -19.863 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -7.716 -20.576 -5.593 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -6.449 -21.071 -4.488 1.00 0.00 H new ATOM 1199 N LEU B 3 -8.110 -15.762 -4.409 1.00 0.00 N ATOM 1200 CA LEU B 3 -9.126 -14.860 -5.031 1.00 0.00 C ATOM 1201 C LEU B 3 -8.441 -13.997 -6.103 1.00 0.00 C ATOM 1202 O LEU B 3 -8.537 -14.277 -7.285 1.00 0.00 O ATOM 1203 CB LEU B 3 -9.755 -13.965 -3.943 1.00 0.00 C ATOM 1204 CG LEU B 3 -10.775 -12.992 -4.580 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -12.191 -13.343 -4.116 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -10.448 -11.553 -4.161 1.00 0.00 C ATOM 0 H LEU B 3 -7.484 -15.312 -3.741 1.00 0.00 H new ATOM 0 HA LEU B 3 -9.915 -15.451 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -10.249 -14.583 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.976 -13.402 -3.429 1.00 0.00 H new ATOM 0 HG LEU B 3 -10.717 -13.080 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -12.904 -12.654 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -12.431 -14.363 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -12.248 -13.263 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -11.168 -10.870 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -10.499 -11.470 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -9.444 -11.295 -4.498 1.00 0.00 H new ATOM 1218 N LEU B 4 -7.748 -12.957 -5.700 1.00 0.00 N ATOM 1219 CA LEU B 4 -7.055 -12.083 -6.693 1.00 0.00 C ATOM 1220 C LEU B 4 -5.821 -11.424 -6.025 1.00 0.00 C ATOM 1221 O LEU B 4 -5.984 -10.579 -5.168 1.00 0.00 O ATOM 1222 CB LEU B 4 -8.013 -10.986 -7.167 1.00 0.00 C ATOM 1223 CG LEU B 4 -8.708 -11.434 -8.456 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -9.755 -10.397 -8.862 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -7.674 -11.570 -9.574 1.00 0.00 C ATOM 0 H LEU B 4 -7.634 -12.678 -4.725 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.737 -12.685 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -8.754 -10.778 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -7.465 -10.060 -7.340 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.193 -12.395 -8.287 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -10.248 -10.718 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.495 -10.297 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -9.269 -9.435 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -8.169 -11.889 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -7.188 -10.608 -9.739 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.926 -12.310 -9.290 1.00 0.00 H new ATOM 1237 N PRO B 5 -4.608 -11.821 -6.428 1.00 0.00 N ATOM 1238 CA PRO B 5 -3.384 -11.252 -5.853 1.00 0.00 C ATOM 1239 C PRO B 5 -3.113 -9.862 -6.447 1.00 0.00 C ATOM 1240 O PRO B 5 -3.468 -9.581 -7.577 1.00 0.00 O ATOM 1241 CB PRO B 5 -2.289 -12.248 -6.251 1.00 0.00 C ATOM 1242 CG PRO B 5 -2.826 -13.015 -7.488 1.00 0.00 C ATOM 1243 CD PRO B 5 -4.358 -12.848 -7.471 1.00 0.00 C ATOM 0 HA PRO B 5 -3.443 -11.114 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -1.360 -11.730 -6.488 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -2.071 -12.934 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -2.402 -12.614 -8.408 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -2.549 -14.068 -7.442 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -4.733 -12.527 -8.443 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -4.857 -13.787 -7.231 1.00 0.00 H new ATOM 1251 N LYS B 6 -2.494 -8.991 -5.684 1.00 0.00 N ATOM 1252 CA LYS B 6 -2.206 -7.614 -6.190 1.00 0.00 C ATOM 1253 C LYS B 6 -0.730 -7.508 -6.616 1.00 0.00 C ATOM 1254 O LYS B 6 0.006 -6.656 -6.148 1.00 0.00 O ATOM 1255 CB LYS B 6 -2.508 -6.595 -5.077 1.00 0.00 C ATOM 1256 CG LYS B 6 -3.843 -5.899 -5.363 1.00 0.00 C ATOM 1257 CD LYS B 6 -3.586 -4.612 -6.151 1.00 0.00 C ATOM 1258 CE LYS B 6 -4.637 -3.565 -5.776 1.00 0.00 C ATOM 1259 NZ LYS B 6 -4.719 -2.536 -6.850 1.00 0.00 N ATOM 0 H LYS B 6 -2.177 -9.176 -4.733 1.00 0.00 H new ATOM 0 HA LYS B 6 -2.834 -7.404 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.549 -7.098 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -1.707 -5.858 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -4.497 -6.561 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -4.354 -5.670 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -2.587 -4.234 -5.934 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -3.625 -4.814 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -5.608 -4.042 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.376 -3.096 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -5.641 -2.057 -6.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.959 -1.838 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.615 -2.994 -7.778 1.00 0.00 H new ATOM 1273 N LEU B 7 -0.298 -8.362 -7.512 1.00 0.00 N ATOM 1274 CA LEU B 7 1.122 -8.312 -7.986 1.00 0.00 C ATOM 1275 C LEU B 7 2.083 -8.483 -6.778 1.00 0.00 C ATOM 1276 O LEU B 7 2.861 -7.596 -6.484 1.00 0.00 O ATOM 1277 CB LEU B 7 1.386 -6.954 -8.686 1.00 0.00 C ATOM 1278 CG LEU B 7 0.430 -6.740 -9.901 1.00 0.00 C ATOM 1279 CD1 LEU B 7 0.395 -7.986 -10.800 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -0.993 -6.434 -9.408 1.00 0.00 C ATOM 0 H LEU B 7 -0.868 -9.093 -7.937 1.00 0.00 H new ATOM 0 HA LEU B 7 1.298 -9.121 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.253 -6.143 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU B 7 2.421 -6.914 -9.025 1.00 0.00 H new ATOM 0 HG LEU B 7 0.808 -5.897 -10.480 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.278 -7.811 -11.639 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.397 -8.192 -11.176 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.041 -8.841 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.651 -6.287 -10.264 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.358 -7.269 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.981 -5.529 -8.800 1.00 0.00 H new ATOM 1292 N PRO B 8 1.999 -9.633 -6.102 1.00 0.00 N ATOM 1293 CA PRO B 8 2.850 -9.919 -4.935 1.00 0.00 C ATOM 1294 C PRO B 8 4.264 -10.382 -5.390 1.00 0.00 C ATOM 1295 O PRO B 8 4.387 -11.443 -5.968 1.00 0.00 O ATOM 1296 CB PRO B 8 2.123 -11.068 -4.227 1.00 0.00 C ATOM 1297 CG PRO B 8 1.237 -11.755 -5.305 1.00 0.00 C ATOM 1298 CD PRO B 8 1.056 -10.728 -6.440 1.00 0.00 C ATOM 0 HA PRO B 8 2.997 -9.047 -4.298 1.00 0.00 H new ATOM 0 HB2 PRO B 8 2.835 -11.775 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO B 8 1.514 -10.694 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO B 8 1.711 -12.664 -5.676 1.00 0.00 H new ATOM 0 HG3 PRO B 8 0.273 -12.046 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO B 8 1.287 -11.165 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO B 8 0.029 -10.367 -6.489 1.00 0.00 H new ATOM 1306 N PRO B 9 5.302 -9.583 -5.115 1.00 0.00 N ATOM 1307 CA PRO B 9 6.675 -9.942 -5.500 1.00 0.00 C ATOM 1308 C PRO B 9 7.259 -10.959 -4.510 1.00 0.00 C ATOM 1309 O PRO B 9 6.744 -11.139 -3.420 1.00 0.00 O ATOM 1310 CB PRO B 9 7.437 -8.616 -5.430 1.00 0.00 C ATOM 1311 CG PRO B 9 6.628 -7.698 -4.474 1.00 0.00 C ATOM 1312 CD PRO B 9 5.199 -8.280 -4.414 1.00 0.00 C ATOM 0 HA PRO B 9 6.732 -10.405 -6.485 1.00 0.00 H new ATOM 0 HB2 PRO B 9 8.450 -8.769 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO B 9 7.526 -8.166 -6.419 1.00 0.00 H new ATOM 0 HG2 PRO B 9 7.080 -7.676 -3.482 1.00 0.00 H new ATOM 0 HG3 PRO B 9 6.614 -6.672 -4.841 1.00 0.00 H new ATOM 0 HD2 PRO B 9 4.865 -8.408 -3.384 1.00 0.00 H new ATOM 0 HD3 PRO B 9 4.481 -7.622 -4.903 1.00 0.00 H new ATOM 1320 N LYS B 10 8.329 -11.627 -4.881 1.00 0.00 N ATOM 1321 CA LYS B 10 8.944 -12.632 -3.962 1.00 0.00 C ATOM 1322 C LYS B 10 10.484 -12.692 -4.213 1.00 0.00 C ATOM 1323 O LYS B 10 11.167 -11.698 -4.046 1.00 0.00 O ATOM 1324 CB LYS B 10 8.273 -13.998 -4.196 1.00 0.00 C ATOM 1325 CG LYS B 10 6.840 -13.963 -3.654 1.00 0.00 C ATOM 1326 CD LYS B 10 6.186 -15.348 -3.817 1.00 0.00 C ATOM 1327 CE LYS B 10 5.518 -15.766 -2.503 1.00 0.00 C ATOM 1328 NZ LYS B 10 4.575 -14.699 -2.062 1.00 0.00 N ATOM 0 H LYS B 10 8.799 -11.517 -5.779 1.00 0.00 H new ATOM 0 HA LYS B 10 8.788 -12.348 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.265 -14.234 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.842 -14.784 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS B 10 6.846 -13.675 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.258 -13.211 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.447 -15.319 -4.618 1.00 0.00 H new ATOM 0 HD3 LYS B 10 6.938 -16.084 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS B 10 4.983 -16.706 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS B 10 6.274 -15.937 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 3.774 -15.130 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 5.069 -14.039 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 4.222 -14.182 -2.893 1.00 0.00 H new ATOM 1342 N THR B 11 11.044 -13.837 -4.604 1.00 0.00 N ATOM 1343 CA THR B 11 12.523 -13.909 -4.841 1.00 0.00 C ATOM 1344 C THR B 11 12.902 -15.334 -5.263 1.00 0.00 C ATOM 1345 O THR B 11 12.073 -16.225 -5.282 1.00 0.00 O ATOM 1346 CB THR B 11 13.281 -13.536 -3.547 1.00 0.00 C ATOM 1347 OG1 THR B 11 12.391 -13.588 -2.438 1.00 0.00 O ATOM 1348 CG2 THR B 11 13.859 -12.122 -3.670 1.00 0.00 C ATOM 0 H THR B 11 10.537 -14.707 -4.764 1.00 0.00 H new ATOM 0 HA THR B 11 12.795 -13.208 -5.630 1.00 0.00 H new ATOM 0 HB THR B 11 14.094 -14.246 -3.395 1.00 0.00 H new ATOM 0 HG1 THR B 11 12.875 -13.353 -1.619 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.392 -11.866 -2.754 1.00 0.00 H new ATOM 0 HG22 THR B 11 14.548 -12.083 -4.514 1.00 0.00 H new ATOM 0 HG23 THR B 11 13.049 -11.410 -3.829 1.00 0.00 H new ATOM 1356 N TYR B 12 14.152 -15.553 -5.602 1.00 0.00 N ATOM 1357 CA TYR B 12 14.598 -16.919 -6.025 1.00 0.00 C ATOM 1358 C TYR B 12 13.809 -17.352 -7.269 1.00 0.00 C ATOM 1359 O TYR B 12 13.205 -16.539 -7.943 1.00 0.00 O ATOM 1360 CB TYR B 12 14.354 -17.919 -4.877 1.00 0.00 C ATOM 1361 CG TYR B 12 15.607 -18.732 -4.628 1.00 0.00 C ATOM 1362 CD1 TYR B 12 16.702 -18.148 -3.978 1.00 0.00 C ATOM 1363 CD2 TYR B 12 15.672 -20.067 -5.044 1.00 0.00 C ATOM 1364 CE1 TYR B 12 17.861 -18.898 -3.747 1.00 0.00 C ATOM 1365 CE2 TYR B 12 16.831 -20.817 -4.813 1.00 0.00 C ATOM 1366 CZ TYR B 12 17.925 -20.233 -4.163 1.00 0.00 C ATOM 1367 OH TYR B 12 19.067 -20.973 -3.935 1.00 0.00 O ATOM 0 H TYR B 12 14.883 -14.842 -5.604 1.00 0.00 H new ATOM 0 HA TYR B 12 15.662 -16.899 -6.263 1.00 0.00 H new ATOM 0 HB2 TYR B 12 14.071 -17.384 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR B 12 13.525 -18.580 -5.129 1.00 0.00 H new ATOM 0 HD1 TYR B 12 16.652 -17.119 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR B 12 14.828 -20.518 -5.543 1.00 0.00 H new ATOM 0 HE1 TYR B 12 18.706 -18.447 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR B 12 16.881 -21.846 -5.136 1.00 0.00 H new ATOM 0 HH TYR B 12 18.944 -21.880 -4.285 1.00 0.00 H new ATOM 1377 N LYS B 13 13.814 -18.628 -7.575 1.00 0.00 N ATOM 1378 CA LYS B 13 13.066 -19.120 -8.771 1.00 0.00 C ATOM 1379 C LYS B 13 11.563 -19.026 -8.505 1.00 0.00 C ATOM 1380 O LYS B 13 11.070 -19.506 -7.501 1.00 0.00 O ATOM 1381 CB LYS B 13 13.448 -20.577 -9.048 1.00 0.00 C ATOM 1382 CG LYS B 13 13.217 -20.900 -10.533 1.00 0.00 C ATOM 1383 CD LYS B 13 14.421 -21.676 -11.086 1.00 0.00 C ATOM 1384 CE LYS B 13 13.979 -22.558 -12.260 1.00 0.00 C ATOM 1385 NZ LYS B 13 14.861 -22.298 -13.433 1.00 0.00 N ATOM 0 H LYS B 13 14.305 -19.349 -7.046 1.00 0.00 H new ATOM 0 HA LYS B 13 13.320 -18.508 -9.637 1.00 0.00 H new ATOM 0 HB2 LYS B 13 14.493 -20.745 -8.788 1.00 0.00 H new ATOM 0 HB3 LYS B 13 12.853 -21.244 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS B 13 12.307 -21.489 -10.650 1.00 0.00 H new ATOM 0 HG3 LYS B 13 13.075 -19.979 -11.098 1.00 0.00 H new ATOM 0 HD2 LYS B 13 15.194 -20.980 -11.413 1.00 0.00 H new ATOM 0 HD3 LYS B 13 14.859 -22.293 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.030 -23.610 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS B 13 12.941 -22.347 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 14.563 -22.895 -14.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.791 -21.297 -13.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.846 -22.520 -13.183 1.00 0.00 H new ATOM 1399 N ARG B 14 10.830 -18.409 -9.401 1.00 0.00 N ATOM 1400 CA ARG B 14 9.354 -18.277 -9.208 1.00 0.00 C ATOM 1401 C ARG B 14 8.713 -19.666 -9.236 1.00 0.00 C ATOM 1402 O ARG B 14 7.912 -20.006 -8.383 1.00 0.00 O ATOM 1403 CB ARG B 14 8.767 -17.422 -10.333 1.00 0.00 C ATOM 1404 CG ARG B 14 9.409 -16.033 -10.308 1.00 0.00 C ATOM 1405 CD ARG B 14 8.695 -15.160 -9.274 1.00 0.00 C ATOM 1406 NE ARG B 14 8.966 -13.724 -9.565 1.00 0.00 N ATOM 1407 CZ ARG B 14 10.161 -13.234 -9.379 1.00 0.00 C ATOM 1408 NH1 ARG B 14 11.097 -13.441 -10.265 1.00 0.00 N ATOM 1409 NH2 ARG B 14 10.421 -12.539 -8.306 1.00 0.00 N ATOM 0 H ARG B 14 11.192 -17.991 -10.258 1.00 0.00 H new ATOM 0 HA ARG B 14 9.153 -17.801 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG B 14 8.945 -17.899 -11.297 1.00 0.00 H new ATOM 0 HB3 ARG B 14 7.687 -17.337 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG B 14 10.468 -16.114 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG B 14 9.345 -15.573 -11.294 1.00 0.00 H new ATOM 0 HD2 ARG B 14 7.622 -15.351 -9.299 1.00 0.00 H new ATOM 0 HD3 ARG B 14 9.040 -15.410 -8.271 1.00 0.00 H new ATOM 0 HE ARG B 14 8.217 -13.124 -9.910 1.00 0.00 H new ATOM 0 HH11 ARG B 14 10.894 -13.986 -11.103 1.00 0.00 H new ATOM 0 HH12 ARG B 14 12.031 -13.058 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG B 14 9.690 -12.379 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG B 14 11.355 -12.156 -8.160 1.00 0.00 H new ATOM 1423 N GLU B 15 9.061 -20.472 -10.210 1.00 0.00 N ATOM 1424 CA GLU B 15 8.477 -21.843 -10.301 1.00 0.00 C ATOM 1425 C GLU B 15 9.573 -22.837 -10.689 1.00 0.00 C ATOM 1426 O GLU B 15 10.080 -23.507 -9.803 1.00 0.00 O ATOM 1427 CB GLU B 15 7.373 -21.859 -11.362 1.00 0.00 C ATOM 1428 CG GLU B 15 6.457 -23.061 -11.126 1.00 0.00 C ATOM 1429 CD GLU B 15 5.050 -22.736 -11.628 1.00 0.00 C ATOM 1430 OE1 GLU B 15 4.942 -22.107 -12.667 1.00 0.00 O ATOM 1431 OE2 GLU B 15 4.101 -23.123 -10.964 1.00 0.00 O ATOM 1432 OXT GLU B 15 9.888 -22.913 -11.865 1.00 0.00 O ATOM 0 H GLU B 15 9.726 -20.237 -10.947 1.00 0.00 H new ATOM 0 HA GLU B 15 8.056 -22.124 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU B 15 6.797 -20.935 -11.317 1.00 0.00 H new ATOM 0 HB3 GLU B 15 7.812 -21.913 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU B 15 6.847 -23.936 -11.646 1.00 0.00 H new ATOM 0 HG3 GLU B 15 6.428 -23.307 -10.064 1.00 0.00 H new TER 1439 GLU B 15