USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 749 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 25 LYS NZ :NH3+ 169:sc= 0.215 (180deg=0.177) USER MOD Set 1.2: A 26 THR OG1 : rot 105:sc= 0.0327 USER MOD Set 1.3: A 67 SER OG : rot -58:sc= 0.439 USER MOD Set 1.4: A 71 ASN : amide:sc= -0.297 K(o=0.39,f=-1.4!) USER MOD Single : A 1 VAL N :NH3+ -158:sc= -0.0668 (180deg=-0.883) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.718 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -116:sc= -0.794 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -82:sc= 0.547 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0.637 (180deg=0.513) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.209 K(o=-0.21,f=-2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -158:sc= -7.88! (180deg=-9.24!) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.0281 (180deg=-0.38) USER MOD Single : A 68 ASN : amide:sc= -3.86! C(o=-3.9!,f=-7.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 73 MET CE :methyl -176:sc= -2.13! (180deg=-2.27!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : A 83 GLN : amide:sc= -0.305 K(o=-0.31,f=-3.2!) USER MOD Single : A 84 SER OG : rot 51:sc= 0.291 USER MOD Single : A 85 THR OG1 : rot 16:sc= 0.315! USER MOD Single : A 86 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -13.757 11.724 -22.732 1.00 0.00 N ATOM 2 CA VAL A 1 -14.806 12.048 -23.683 1.00 0.00 C ATOM 3 C VAL A 1 -16.155 11.594 -23.122 1.00 0.00 C ATOM 4 O VAL A 1 -16.753 10.643 -23.624 1.00 0.00 O ATOM 5 CB VAL A 1 -14.487 11.430 -25.046 1.00 0.00 C ATOM 6 CG1 VAL A 1 -15.568 11.776 -26.071 1.00 0.00 C ATOM 7 CG2 VAL A 1 -13.106 11.868 -25.536 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.931 12.331 -22.906 1.00 0.00 H new ATOM 0 H2 VAL A 1 -14.105 11.882 -21.765 1.00 0.00 H new ATOM 0 H3 VAL A 1 -13.483 10.727 -22.843 1.00 0.00 H new ATOM 0 HA VAL A 1 -14.863 13.126 -23.835 1.00 0.00 H new ATOM 0 HB VAL A 1 -14.472 10.347 -24.928 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -15.317 11.325 -27.031 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -16.529 11.392 -25.730 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -15.629 12.858 -26.184 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -12.904 11.415 -26.507 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.081 12.954 -25.630 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.348 11.548 -24.821 1.00 0.00 H new ATOM 17 N GLY A 2 -16.596 12.295 -22.088 1.00 0.00 N ATOM 18 CA GLY A 2 -17.864 11.975 -21.453 1.00 0.00 C ATOM 19 C GLY A 2 -17.796 10.621 -20.743 1.00 0.00 C ATOM 20 O GLY A 2 -16.787 10.293 -20.122 1.00 0.00 O ATOM 0 H GLY A 2 -16.098 13.083 -21.674 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.122 12.754 -20.735 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.656 11.957 -22.202 1.00 0.00 H new ATOM 24 N SER A 3 -18.884 9.873 -20.859 1.00 0.00 N ATOM 25 CA SER A 3 -18.960 8.563 -20.237 1.00 0.00 C ATOM 26 C SER A 3 -18.471 8.642 -18.790 1.00 0.00 C ATOM 27 O SER A 3 -18.205 9.730 -18.279 1.00 0.00 O ATOM 28 CB SER A 3 -18.141 7.534 -21.018 1.00 0.00 C ATOM 29 OG SER A 3 -18.854 6.314 -21.205 1.00 0.00 O ATOM 0 H SER A 3 -19.719 10.150 -21.374 1.00 0.00 H new ATOM 0 HA SER A 3 -20.001 8.241 -20.245 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.870 7.948 -21.989 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.211 7.332 -20.487 1.00 0.00 H new ATOM 0 HG SER A 3 -18.298 5.684 -21.709 1.00 0.00 H new ATOM 35 N GLU A 4 -18.369 7.477 -18.168 1.00 0.00 N ATOM 36 CA GLU A 4 -17.917 7.400 -16.789 1.00 0.00 C ATOM 37 C GLU A 4 -16.441 7.792 -16.691 1.00 0.00 C ATOM 38 O GLU A 4 -15.808 8.094 -17.701 1.00 0.00 O ATOM 39 CB GLU A 4 -18.153 6.003 -16.212 1.00 0.00 C ATOM 40 CG GLU A 4 -19.622 5.808 -15.832 1.00 0.00 C ATOM 41 CD GLU A 4 -19.855 4.416 -15.240 1.00 0.00 C ATOM 42 OE1 GLU A 4 -19.759 3.444 -16.020 1.00 0.00 O ATOM 43 OE2 GLU A 4 -20.124 4.356 -14.020 1.00 0.00 O ATOM 0 H GLU A 4 -18.592 6.577 -18.594 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.500 8.105 -16.196 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.860 5.249 -16.943 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.524 5.857 -15.334 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.919 6.569 -15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -20.250 5.942 -16.713 1.00 0.00 H new ATOM 50 N VAL A 5 -15.937 7.773 -15.467 1.00 0.00 N ATOM 51 CA VAL A 5 -14.548 8.123 -15.224 1.00 0.00 C ATOM 52 C VAL A 5 -14.178 9.343 -16.070 1.00 0.00 C ATOM 53 O VAL A 5 -13.557 9.207 -17.122 1.00 0.00 O ATOM 54 CB VAL A 5 -13.649 6.914 -15.493 1.00 0.00 C ATOM 55 CG1 VAL A 5 -13.961 6.293 -16.857 1.00 0.00 C ATOM 56 CG2 VAL A 5 -12.172 7.295 -15.390 1.00 0.00 C ATOM 0 H VAL A 5 -16.466 7.521 -14.632 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.400 8.395 -14.179 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.856 6.166 -14.728 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.309 5.436 -17.024 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.001 5.967 -16.879 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.796 7.033 -17.640 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.555 6.418 -15.586 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.944 8.069 -16.123 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.962 7.670 -14.388 1.00 0.00 H new ATOM 66 N SER A 6 -14.576 10.507 -15.577 1.00 0.00 N ATOM 67 CA SER A 6 -14.295 11.751 -16.274 1.00 0.00 C ATOM 68 C SER A 6 -12.932 12.295 -15.843 1.00 0.00 C ATOM 69 O SER A 6 -12.404 13.218 -16.462 1.00 0.00 O ATOM 70 CB SER A 6 -15.388 12.788 -16.013 1.00 0.00 C ATOM 71 OG SER A 6 -16.059 13.170 -17.211 1.00 0.00 O ATOM 0 H SER A 6 -15.091 10.615 -14.703 1.00 0.00 H new ATOM 0 HA SER A 6 -14.275 11.547 -17.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.111 12.382 -15.306 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.947 13.670 -15.547 1.00 0.00 H new ATOM 0 HG SER A 6 -16.751 13.832 -17.002 1.00 0.00 H new ATOM 77 N ASP A 7 -12.400 11.701 -14.784 1.00 0.00 N ATOM 78 CA ASP A 7 -11.109 12.115 -14.263 1.00 0.00 C ATOM 79 C ASP A 7 -10.361 10.889 -13.733 1.00 0.00 C ATOM 80 O ASP A 7 -9.176 10.713 -14.011 1.00 0.00 O ATOM 81 CB ASP A 7 -11.273 13.104 -13.108 1.00 0.00 C ATOM 82 CG ASP A 7 -10.933 14.558 -13.447 1.00 0.00 C ATOM 83 OD1 ASP A 7 -9.729 14.887 -13.381 1.00 0.00 O ATOM 84 OD2 ASP A 7 -11.882 15.303 -13.766 1.00 0.00 O ATOM 0 H ASP A 7 -12.840 10.936 -14.273 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.556 12.593 -15.072 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.304 13.060 -12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.640 12.782 -12.281 1.00 0.00 H new ATOM 89 N LYS A 8 -11.084 10.076 -12.978 1.00 0.00 N ATOM 90 CA LYS A 8 -10.504 8.872 -12.406 1.00 0.00 C ATOM 91 C LYS A 8 -9.670 9.246 -11.179 1.00 0.00 C ATOM 92 O LYS A 8 -9.285 10.403 -11.015 1.00 0.00 O ATOM 93 CB LYS A 8 -9.721 8.099 -13.469 1.00 0.00 C ATOM 94 CG LYS A 8 -9.876 6.588 -13.274 1.00 0.00 C ATOM 95 CD LYS A 8 -8.511 5.905 -13.182 1.00 0.00 C ATOM 96 CE LYS A 8 -8.071 5.372 -14.547 1.00 0.00 C ATOM 97 NZ LYS A 8 -6.676 5.772 -14.835 1.00 0.00 N ATOM 0 H LYS A 8 -12.066 10.227 -12.749 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.288 8.196 -12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.074 8.379 -14.461 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.666 8.370 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.447 6.391 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.442 6.167 -14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.771 6.613 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.558 5.085 -12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.155 4.285 -14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.733 5.755 -15.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.394 5.402 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.606 6.810 -14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.046 5.386 -14.103 1.00 0.00 H new ATOM 111 N ARG A 9 -9.417 8.246 -10.349 1.00 0.00 N ATOM 112 CA ARG A 9 -8.636 8.455 -9.141 1.00 0.00 C ATOM 113 C ARG A 9 -7.419 7.527 -9.128 1.00 0.00 C ATOM 114 O ARG A 9 -6.284 7.984 -9.253 1.00 0.00 O ATOM 115 CB ARG A 9 -9.477 8.199 -7.889 1.00 0.00 C ATOM 116 CG ARG A 9 -8.855 8.870 -6.664 1.00 0.00 C ATOM 117 CD ARG A 9 -9.639 10.121 -6.265 1.00 0.00 C ATOM 118 NE ARG A 9 -9.323 10.493 -4.868 1.00 0.00 N ATOM 119 CZ ARG A 9 -9.575 11.697 -4.336 1.00 0.00 C ATOM 120 NH1 ARG A 9 -10.148 12.652 -5.081 1.00 0.00 N ATOM 121 NH2 ARG A 9 -9.255 11.945 -3.059 1.00 0.00 N ATOM 0 H ARG A 9 -9.739 7.288 -10.488 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.306 9.494 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.488 8.578 -8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.562 7.126 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.836 8.167 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.820 9.138 -6.878 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.390 10.945 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.709 9.938 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.886 9.789 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.392 12.463 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.340 13.568 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.820 11.218 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.447 12.861 -2.654 1.00 0.00 H new ATOM 135 N THR A 10 -7.698 6.241 -8.977 1.00 0.00 N ATOM 136 CA THR A 10 -6.640 5.245 -8.945 1.00 0.00 C ATOM 137 C THR A 10 -6.977 4.081 -9.879 1.00 0.00 C ATOM 138 O THR A 10 -6.120 3.612 -10.626 1.00 0.00 O ATOM 139 CB THR A 10 -6.436 4.818 -7.490 1.00 0.00 C ATOM 140 OG1 THR A 10 -5.369 5.645 -7.032 1.00 0.00 O ATOM 141 CG2 THR A 10 -5.883 3.396 -7.370 1.00 0.00 C ATOM 0 H THR A 10 -8.641 5.865 -8.875 1.00 0.00 H new ATOM 0 HA THR A 10 -5.699 5.654 -9.313 1.00 0.00 H new ATOM 0 HB THR A 10 -7.383 4.886 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.172 5.436 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.757 3.142 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.579 2.695 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.919 3.337 -7.876 1.00 0.00 H new ATOM 149 N CYS A 11 -8.228 3.647 -9.805 1.00 0.00 N ATOM 150 CA CYS A 11 -8.687 2.546 -10.634 1.00 0.00 C ATOM 151 C CYS A 11 -10.030 2.941 -11.254 1.00 0.00 C ATOM 152 O CYS A 11 -10.280 4.119 -11.502 1.00 0.00 O ATOM 153 CB CYS A 11 -8.788 1.243 -9.840 1.00 0.00 C ATOM 154 SG CYS A 11 -10.207 1.153 -8.689 1.00 0.00 S ATOM 0 H CYS A 11 -8.936 4.038 -9.184 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.962 2.357 -11.426 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.854 0.411 -10.541 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.868 1.108 -9.271 1.00 0.00 H new ATOM 159 N VAL A 12 -10.857 1.933 -11.487 1.00 0.00 N ATOM 160 CA VAL A 12 -12.167 2.160 -12.074 1.00 0.00 C ATOM 161 C VAL A 12 -13.247 1.755 -11.069 1.00 0.00 C ATOM 162 O VAL A 12 -13.842 2.610 -10.412 1.00 0.00 O ATOM 163 CB VAL A 12 -12.280 1.415 -13.405 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.681 1.569 -14.002 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.210 1.887 -14.390 1.00 0.00 C ATOM 0 H VAL A 12 -10.646 0.957 -11.280 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.309 3.218 -12.296 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.113 0.356 -13.211 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.735 1.030 -14.948 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.418 1.162 -13.310 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.889 2.625 -14.174 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.313 1.341 -15.328 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.332 2.954 -14.576 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.221 1.702 -13.969 1.00 0.00 H new ATOM 175 N SER A 13 -13.470 0.453 -10.979 1.00 0.00 N ATOM 176 CA SER A 13 -14.469 -0.075 -10.066 1.00 0.00 C ATOM 177 C SER A 13 -13.785 -0.796 -8.903 1.00 0.00 C ATOM 178 O SER A 13 -12.593 -0.609 -8.667 1.00 0.00 O ATOM 179 CB SER A 13 -15.429 -1.023 -10.787 1.00 0.00 C ATOM 180 OG SER A 13 -16.774 -0.552 -10.749 1.00 0.00 O ATOM 0 H SER A 13 -12.975 -0.253 -11.524 1.00 0.00 H new ATOM 0 HA SER A 13 -15.051 0.760 -9.676 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.114 -1.138 -11.824 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.377 -2.010 -10.327 1.00 0.00 H new ATOM 0 HG SER A 13 -17.355 -1.184 -11.221 1.00 0.00 H new ATOM 186 N LEU A 14 -14.571 -1.604 -8.206 1.00 0.00 N ATOM 187 CA LEU A 14 -14.056 -2.355 -7.073 1.00 0.00 C ATOM 188 C LEU A 14 -14.096 -3.850 -7.395 1.00 0.00 C ATOM 189 O LEU A 14 -15.156 -4.472 -7.339 1.00 0.00 O ATOM 190 CB LEU A 14 -14.809 -1.980 -5.796 1.00 0.00 C ATOM 191 CG LEU A 14 -14.223 -0.823 -4.985 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.126 -0.470 -3.801 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.792 -1.134 -4.542 1.00 0.00 C ATOM 0 H LEU A 14 -15.560 -1.755 -8.404 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.013 -2.098 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.835 -1.726 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.856 -2.860 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.177 0.056 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.686 0.355 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.109 -0.176 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.227 -1.338 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.399 -0.295 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.790 -2.031 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.167 -1.297 -5.420 1.00 0.00 H new ATOM 205 N THR A 15 -12.930 -4.383 -7.726 1.00 0.00 N ATOM 206 CA THR A 15 -12.819 -5.793 -8.058 1.00 0.00 C ATOM 207 C THR A 15 -13.499 -6.082 -9.397 1.00 0.00 C ATOM 208 O THR A 15 -13.220 -5.417 -10.395 1.00 0.00 O ATOM 209 CB THR A 15 -13.401 -6.600 -6.896 1.00 0.00 C ATOM 210 OG1 THR A 15 -12.820 -6.007 -5.736 1.00 0.00 O ATOM 211 CG2 THR A 15 -12.892 -8.042 -6.871 1.00 0.00 C ATOM 0 H THR A 15 -12.053 -3.864 -7.772 1.00 0.00 H new ATOM 0 HA THR A 15 -11.777 -6.087 -8.188 1.00 0.00 H new ATOM 0 HB THR A 15 -14.489 -6.600 -6.964 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.015 -6.562 -4.952 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.336 -8.570 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.170 -8.542 -7.799 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.807 -8.043 -6.769 1.00 0.00 H new ATOM 219 N THR A 16 -14.379 -7.072 -9.378 1.00 0.00 N ATOM 220 CA THR A 16 -15.101 -7.456 -10.578 1.00 0.00 C ATOM 221 C THR A 16 -14.154 -8.121 -11.580 1.00 0.00 C ATOM 222 O THR A 16 -14.415 -8.118 -12.782 1.00 0.00 O ATOM 223 CB THR A 16 -15.794 -6.210 -11.132 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.967 -6.716 -11.764 1.00 0.00 O ATOM 225 CG2 THR A 16 -15.008 -5.560 -12.272 1.00 0.00 C ATOM 0 H THR A 16 -14.608 -7.620 -8.549 1.00 0.00 H new ATOM 0 HA THR A 16 -15.866 -8.200 -10.358 1.00 0.00 H new ATOM 0 HB THR A 16 -15.934 -5.486 -10.329 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.477 -5.973 -12.150 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.544 -4.680 -12.628 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.023 -5.263 -11.912 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.896 -6.272 -13.089 1.00 0.00 H new ATOM 233 N GLN A 17 -13.074 -8.673 -11.048 1.00 0.00 N ATOM 234 CA GLN A 17 -12.088 -9.341 -11.881 1.00 0.00 C ATOM 235 C GLN A 17 -10.951 -9.893 -11.019 1.00 0.00 C ATOM 236 O GLN A 17 -9.865 -9.317 -10.973 1.00 0.00 O ATOM 237 CB GLN A 17 -11.550 -8.395 -12.958 1.00 0.00 C ATOM 238 CG GLN A 17 -11.422 -9.113 -14.303 1.00 0.00 C ATOM 239 CD GLN A 17 -11.774 -8.176 -15.460 1.00 0.00 C ATOM 240 OE1 GLN A 17 -11.020 -7.290 -15.826 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.960 -8.419 -16.011 1.00 0.00 N ATOM 0 H GLN A 17 -12.860 -8.672 -10.051 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.573 -10.176 -12.386 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.216 -7.538 -13.061 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.577 -8.008 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.404 -9.483 -14.427 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.081 -9.981 -14.320 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.542 -9.178 -15.655 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -13.288 -7.847 -16.789 1.00 0.00 H new ATOM 250 N ARG A 18 -11.240 -11.003 -10.356 1.00 0.00 N ATOM 251 CA ARG A 18 -10.255 -11.639 -9.497 1.00 0.00 C ATOM 252 C ARG A 18 -8.929 -11.804 -10.242 1.00 0.00 C ATOM 253 O ARG A 18 -8.769 -12.731 -11.034 1.00 0.00 O ATOM 254 CB ARG A 18 -10.741 -13.012 -9.025 1.00 0.00 C ATOM 255 CG ARG A 18 -9.563 -13.905 -8.632 1.00 0.00 C ATOM 256 CD ARG A 18 -9.924 -14.799 -7.444 1.00 0.00 C ATOM 257 NE ARG A 18 -9.167 -16.068 -7.516 1.00 0.00 N ATOM 258 CZ ARG A 18 -9.493 -17.092 -8.316 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.564 -17.003 -9.117 1.00 0.00 N ATOM 260 NH2 ARG A 18 -8.748 -18.206 -8.316 1.00 0.00 N ATOM 0 H ARG A 18 -12.142 -11.478 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.110 -10.998 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.411 -12.892 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.316 -13.490 -9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.272 -14.523 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.702 -13.286 -8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.699 -14.284 -6.510 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.995 -15.004 -7.445 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.346 -16.170 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.131 -16.155 -9.118 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.812 -17.783 -9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.933 -18.274 -7.707 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.996 -18.986 -8.925 1.00 0.00 H new ATOM 274 N LEU A 19 -8.012 -10.890 -9.960 1.00 0.00 N ATOM 275 CA LEU A 19 -6.705 -10.922 -10.593 1.00 0.00 C ATOM 276 C LEU A 19 -5.813 -11.928 -9.862 1.00 0.00 C ATOM 277 O LEU A 19 -5.911 -12.078 -8.645 1.00 0.00 O ATOM 278 CB LEU A 19 -6.111 -9.514 -10.668 1.00 0.00 C ATOM 279 CG LEU A 19 -5.901 -8.949 -12.074 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.144 -8.197 -12.554 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.645 -8.077 -12.133 1.00 0.00 C ATOM 0 H LEU A 19 -8.149 -10.123 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.790 -11.262 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.764 -8.836 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.151 -9.518 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.746 -9.784 -12.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.968 -7.806 -13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.995 -8.877 -12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.355 -7.372 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.519 -7.688 -13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.746 -7.246 -11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.774 -8.675 -11.863 1.00 0.00 H new ATOM 293 N PRO A 20 -4.941 -12.606 -10.654 1.00 0.00 N ATOM 294 CA PRO A 20 -4.033 -13.593 -10.095 1.00 0.00 C ATOM 295 C PRO A 20 -2.881 -12.916 -9.348 1.00 0.00 C ATOM 296 O PRO A 20 -2.219 -12.032 -9.890 1.00 0.00 O ATOM 297 CB PRO A 20 -3.567 -14.417 -11.284 1.00 0.00 C ATOM 298 CG PRO A 20 -3.863 -13.578 -12.516 1.00 0.00 C ATOM 299 CD PRO A 20 -4.798 -12.453 -12.099 1.00 0.00 C ATOM 0 HA PRO A 20 -4.510 -14.229 -9.349 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.503 -14.641 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.091 -15.372 -11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.941 -13.173 -12.933 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.323 -14.189 -13.293 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.383 -11.478 -12.355 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.761 -12.532 -12.603 1.00 0.00 H new ATOM 307 N VAL A 21 -2.677 -13.358 -8.116 1.00 0.00 N ATOM 308 CA VAL A 21 -1.617 -12.807 -7.290 1.00 0.00 C ATOM 309 C VAL A 21 -0.292 -12.877 -8.053 1.00 0.00 C ATOM 310 O VAL A 21 0.523 -11.959 -7.974 1.00 0.00 O ATOM 311 CB VAL A 21 -1.571 -13.533 -5.944 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.597 -14.712 -5.990 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.211 -12.568 -4.812 1.00 0.00 C ATOM 0 H VAL A 21 -3.228 -14.091 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.811 -11.757 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.567 -13.929 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.583 -15.211 -5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.916 -15.418 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.403 -14.349 -6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.185 -13.110 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.232 -12.129 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.959 -11.777 -4.757 1.00 0.00 H new ATOM 323 N SER A 22 -0.119 -13.975 -8.773 1.00 0.00 N ATOM 324 CA SER A 22 1.093 -14.177 -9.550 1.00 0.00 C ATOM 325 C SER A 22 1.287 -13.016 -10.527 1.00 0.00 C ATOM 326 O SER A 22 2.418 -12.642 -10.834 1.00 0.00 O ATOM 327 CB SER A 22 1.046 -15.505 -10.307 1.00 0.00 C ATOM 328 OG SER A 22 1.842 -15.474 -11.489 1.00 0.00 O ATOM 0 H SER A 22 -0.797 -14.734 -8.835 1.00 0.00 H new ATOM 0 HA SER A 22 1.939 -14.211 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.395 -16.306 -9.656 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.014 -15.736 -10.571 1.00 0.00 H new ATOM 0 HG SER A 22 1.787 -16.341 -11.943 1.00 0.00 H new ATOM 334 N ARG A 23 0.167 -12.478 -10.988 1.00 0.00 N ATOM 335 CA ARG A 23 0.202 -11.367 -11.923 1.00 0.00 C ATOM 336 C ARG A 23 0.241 -10.037 -11.168 1.00 0.00 C ATOM 337 O ARG A 23 0.531 -8.995 -11.752 1.00 0.00 O ATOM 338 CB ARG A 23 -1.019 -11.385 -12.845 1.00 0.00 C ATOM 339 CG ARG A 23 -0.869 -12.451 -13.933 1.00 0.00 C ATOM 340 CD ARG A 23 0.463 -12.299 -14.668 1.00 0.00 C ATOM 341 NE ARG A 23 0.273 -12.546 -16.116 1.00 0.00 N ATOM 342 CZ ARG A 23 1.099 -12.096 -17.069 1.00 0.00 C ATOM 343 NH1 ARG A 23 2.177 -11.373 -16.736 1.00 0.00 N ATOM 344 NH2 ARG A 23 0.848 -12.367 -18.357 1.00 0.00 N ATOM 0 H ARG A 23 -0.769 -12.791 -10.731 1.00 0.00 H new ATOM 0 HA ARG A 23 1.103 -11.472 -12.528 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.918 -11.581 -12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.146 -10.405 -13.306 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.931 -13.443 -13.486 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.692 -12.369 -14.643 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.862 -11.297 -14.511 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.193 -13.000 -14.264 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.538 -13.093 -16.405 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.369 -11.165 -15.756 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.806 -11.031 -17.463 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.027 -12.916 -18.612 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.478 -12.024 -19.082 1.00 0.00 H new ATOM 358 N ILE A 24 -0.054 -10.117 -9.879 1.00 0.00 N ATOM 359 CA ILE A 24 -0.056 -8.933 -9.037 1.00 0.00 C ATOM 360 C ILE A 24 1.310 -8.788 -8.364 1.00 0.00 C ATOM 361 O ILE A 24 1.929 -9.783 -7.988 1.00 0.00 O ATOM 362 CB ILE A 24 -1.226 -8.978 -8.051 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.544 -9.256 -8.776 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.290 -7.697 -7.217 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.529 -9.989 -7.863 1.00 0.00 C ATOM 0 H ILE A 24 -0.293 -10.984 -9.397 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.211 -8.038 -9.639 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.058 -9.804 -7.360 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.984 -8.317 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.354 -9.855 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.130 -7.755 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.363 -7.582 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.422 -6.840 -7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.457 -10.174 -8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.096 -10.939 -7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.736 -9.377 -6.985 1.00 0.00 H new ATOM 377 N LYS A 25 1.741 -7.542 -8.231 1.00 0.00 N ATOM 378 CA LYS A 25 3.022 -7.256 -7.610 1.00 0.00 C ATOM 379 C LYS A 25 2.806 -6.935 -6.129 1.00 0.00 C ATOM 380 O LYS A 25 3.052 -7.777 -5.266 1.00 0.00 O ATOM 381 CB LYS A 25 3.754 -6.152 -8.376 1.00 0.00 C ATOM 382 CG LYS A 25 5.264 -6.399 -8.384 1.00 0.00 C ATOM 383 CD LYS A 25 5.860 -6.195 -6.990 1.00 0.00 C ATOM 384 CE LYS A 25 6.064 -7.534 -6.279 1.00 0.00 C ATOM 385 NZ LYS A 25 7.333 -7.527 -5.516 1.00 0.00 N ATOM 0 H LYS A 25 1.225 -6.719 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 25 3.671 -8.130 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.384 -6.108 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.542 -5.185 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.468 -7.414 -8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.743 -5.722 -9.091 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.814 -5.673 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.200 -5.562 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.229 -7.726 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.077 -8.343 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.369 -8.360 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.136 -7.553 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.387 -6.663 -4.940 1.00 0.00 H new ATOM 399 N THR A 26 2.349 -5.718 -5.880 1.00 0.00 N ATOM 400 CA THR A 26 2.097 -5.276 -4.519 1.00 0.00 C ATOM 401 C THR A 26 0.707 -4.645 -4.411 1.00 0.00 C ATOM 402 O THR A 26 0.093 -4.311 -5.423 1.00 0.00 O ATOM 403 CB THR A 26 3.228 -4.330 -4.112 1.00 0.00 C ATOM 404 OG1 THR A 26 3.288 -4.452 -2.693 1.00 0.00 O ATOM 405 CG2 THR A 26 2.874 -2.860 -4.346 1.00 0.00 C ATOM 0 H THR A 26 2.146 -5.023 -6.598 1.00 0.00 H new ATOM 0 HA THR A 26 2.092 -6.116 -3.825 1.00 0.00 H new ATOM 0 HB THR A 26 4.130 -4.579 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.064 -4.996 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.710 -2.231 -4.041 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.667 -2.700 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.992 -2.600 -3.760 1.00 0.00 H new ATOM 413 N TYR A 27 0.252 -4.499 -3.175 1.00 0.00 N ATOM 414 CA TYR A 27 -1.053 -3.913 -2.922 1.00 0.00 C ATOM 415 C TYR A 27 -0.969 -2.828 -1.847 1.00 0.00 C ATOM 416 O TYR A 27 -0.005 -2.779 -1.085 1.00 0.00 O ATOM 417 CB TYR A 27 -1.936 -5.053 -2.411 1.00 0.00 C ATOM 418 CG TYR A 27 -1.535 -5.578 -1.031 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.390 -6.335 -0.886 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.320 -5.296 0.068 1.00 0.00 C ATOM 421 CE1 TYR A 27 -0.014 -6.829 0.413 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.944 -5.790 1.368 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.809 -6.533 1.476 1.00 0.00 C ATOM 424 OH TYR A 27 -0.453 -7.000 2.703 1.00 0.00 O ATOM 0 H TYR A 27 0.764 -4.777 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.448 -3.452 -3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.970 -4.709 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.901 -5.875 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.224 -6.557 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.217 -4.705 -0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.880 -7.422 0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.549 -5.576 2.237 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.113 -6.710 3.367 1.00 0.00 H new ATOM 434 N THR A 28 -1.990 -1.985 -1.821 1.00 0.00 N ATOM 435 CA THR A 28 -2.043 -0.904 -0.851 1.00 0.00 C ATOM 436 C THR A 28 -3.464 -0.743 -0.309 1.00 0.00 C ATOM 437 O THR A 28 -4.405 -0.542 -1.075 1.00 0.00 O ATOM 438 CB THR A 28 -1.501 0.361 -1.522 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.203 0.524 -0.960 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.256 1.620 -1.093 1.00 0.00 C ATOM 0 H THR A 28 -2.787 -2.028 -2.456 1.00 0.00 H new ATOM 0 HA THR A 28 -1.421 -1.121 0.017 1.00 0.00 H new ATOM 0 HB THR A 28 -1.563 0.253 -2.605 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.221 1.321 -1.342 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.832 2.488 -1.598 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.308 1.522 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.167 1.748 -0.014 1.00 0.00 H new ATOM 448 N ILE A 29 -3.575 -0.836 1.009 1.00 0.00 N ATOM 449 CA ILE A 29 -4.866 -0.704 1.662 1.00 0.00 C ATOM 450 C ILE A 29 -4.923 0.635 2.400 1.00 0.00 C ATOM 451 O ILE A 29 -3.962 1.027 3.058 1.00 0.00 O ATOM 452 CB ILE A 29 -5.138 -1.913 2.559 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.153 -3.208 1.745 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.431 -1.723 3.357 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.195 -4.432 2.663 1.00 0.00 C ATOM 0 H ILE A 29 -2.792 -1.001 1.641 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.668 -0.697 0.924 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.323 -1.995 3.278 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.019 -3.216 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.267 -3.254 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.602 -2.596 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.345 -0.835 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.268 -1.602 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.205 -5.339 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.316 -4.434 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.094 -4.395 3.278 1.00 0.00 H new ATOM 467 N THR A 30 -6.061 1.300 2.265 1.00 0.00 N ATOM 468 CA THR A 30 -6.257 2.587 2.910 1.00 0.00 C ATOM 469 C THR A 30 -7.212 2.448 4.098 1.00 0.00 C ATOM 470 O THR A 30 -7.856 1.414 4.263 1.00 0.00 O ATOM 471 CB THR A 30 -6.746 3.578 1.851 1.00 0.00 C ATOM 472 OG1 THR A 30 -7.955 3.002 1.368 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.834 3.618 0.622 1.00 0.00 C ATOM 0 H THR A 30 -6.857 0.971 1.718 1.00 0.00 H new ATOM 0 HA THR A 30 -5.324 2.967 3.325 1.00 0.00 H new ATOM 0 HB THR A 30 -6.810 4.574 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.852 2.772 0.421 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.226 4.336 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.830 3.917 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.796 2.629 0.165 1.00 0.00 H new ATOM 481 N GLU A 31 -7.271 3.505 4.894 1.00 0.00 N ATOM 482 CA GLU A 31 -8.136 3.514 6.062 1.00 0.00 C ATOM 483 C GLU A 31 -9.140 4.665 5.970 1.00 0.00 C ATOM 484 O GLU A 31 -10.168 4.653 6.646 1.00 0.00 O ATOM 485 CB GLU A 31 -7.317 3.603 7.351 1.00 0.00 C ATOM 486 CG GLU A 31 -7.455 2.323 8.178 1.00 0.00 C ATOM 487 CD GLU A 31 -6.298 1.362 7.897 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.207 1.608 8.457 1.00 0.00 O ATOM 489 OE2 GLU A 31 -6.531 0.403 7.131 1.00 0.00 O ATOM 0 H GLU A 31 -6.734 4.361 4.754 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.690 2.575 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.268 3.772 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.650 4.458 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.476 2.572 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.402 1.836 7.946 1.00 0.00 H new ATOM 496 N GLY A 32 -8.808 5.633 5.128 1.00 0.00 N ATOM 497 CA GLY A 32 -9.668 6.789 4.939 1.00 0.00 C ATOM 498 C GLY A 32 -10.948 6.404 4.195 1.00 0.00 C ATOM 499 O GLY A 32 -11.197 5.224 3.949 1.00 0.00 O ATOM 0 H GLY A 32 -7.955 5.640 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.922 7.220 5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.134 7.556 4.378 1.00 0.00 H new ATOM 503 N SER A 33 -11.725 7.422 3.855 1.00 0.00 N ATOM 504 CA SER A 33 -12.973 7.205 3.143 1.00 0.00 C ATOM 505 C SER A 33 -12.796 6.099 2.101 1.00 0.00 C ATOM 506 O SER A 33 -13.744 5.382 1.784 1.00 0.00 O ATOM 507 CB SER A 33 -13.457 8.493 2.474 1.00 0.00 C ATOM 508 OG SER A 33 -12.511 8.991 1.530 1.00 0.00 O ATOM 0 H SER A 33 -11.515 8.399 4.059 1.00 0.00 H new ATOM 0 HA SER A 33 -13.729 6.897 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.407 8.307 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.642 9.250 3.236 1.00 0.00 H new ATOM 0 HG SER A 33 -12.857 9.813 1.123 1.00 0.00 H new ATOM 514 N LEU A 34 -11.575 5.995 1.598 1.00 0.00 N ATOM 515 CA LEU A 34 -11.262 4.988 0.597 1.00 0.00 C ATOM 516 C LEU A 34 -11.430 3.597 1.210 1.00 0.00 C ATOM 517 O LEU A 34 -12.209 2.785 0.713 1.00 0.00 O ATOM 518 CB LEU A 34 -9.873 5.235 0.005 1.00 0.00 C ATOM 519 CG LEU A 34 -9.821 5.478 -1.504 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.407 5.858 -1.950 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.358 4.270 -2.273 1.00 0.00 C ATOM 0 H LEU A 34 -10.791 6.591 1.864 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.957 5.054 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.434 6.097 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.243 4.376 0.237 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.470 6.322 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.398 6.025 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.097 6.769 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.718 5.050 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.310 4.469 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.755 3.393 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.393 4.086 -1.985 1.00 0.00 H new ATOM 533 N ARG A 35 -10.688 3.364 2.282 1.00 0.00 N ATOM 534 CA ARG A 35 -10.745 2.085 2.969 1.00 0.00 C ATOM 535 C ARG A 35 -10.925 0.948 1.960 1.00 0.00 C ATOM 536 O ARG A 35 -11.788 0.089 2.134 1.00 0.00 O ATOM 537 CB ARG A 35 -11.897 2.050 3.976 1.00 0.00 C ATOM 538 CG ARG A 35 -11.443 1.451 5.308 1.00 0.00 C ATOM 539 CD ARG A 35 -11.025 -0.010 5.138 1.00 0.00 C ATOM 540 NE ARG A 35 -12.087 -0.904 5.652 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.979 -2.238 5.721 1.00 0.00 C ATOM 542 NH1 ARG A 35 -10.855 -2.841 5.309 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.994 -2.969 6.201 1.00 0.00 N ATOM 0 H ARG A 35 -10.043 4.040 2.692 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.805 1.955 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.275 3.060 4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.721 1.462 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.608 2.028 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.251 1.519 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.837 -0.223 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.093 -0.195 5.672 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.956 -0.478 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.082 -2.285 4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.772 -3.856 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.850 -2.510 6.514 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.911 -3.984 6.253 1.00 0.00 H new ATOM 557 N ALA A 36 -10.096 0.981 0.927 1.00 0.00 N ATOM 558 CA ALA A 36 -10.152 -0.036 -0.110 1.00 0.00 C ATOM 559 C ALA A 36 -8.758 -0.633 -0.309 1.00 0.00 C ATOM 560 O ALA A 36 -7.755 0.001 0.013 1.00 0.00 O ATOM 561 CB ALA A 36 -10.713 0.576 -1.395 1.00 0.00 C ATOM 0 H ALA A 36 -9.382 1.696 0.786 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.819 -0.847 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.755 -0.186 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.716 0.959 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.068 1.392 -1.721 1.00 0.00 H new ATOM 567 N VAL A 37 -8.740 -1.848 -0.839 1.00 0.00 N ATOM 568 CA VAL A 37 -7.484 -2.537 -1.085 1.00 0.00 C ATOM 569 C VAL A 37 -7.068 -2.327 -2.542 1.00 0.00 C ATOM 570 O VAL A 37 -7.791 -2.713 -3.460 1.00 0.00 O ATOM 571 CB VAL A 37 -7.617 -4.015 -0.709 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.532 -4.191 0.505 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.117 -4.840 -1.897 1.00 0.00 C ATOM 0 H VAL A 37 -9.574 -2.372 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.693 -2.124 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.627 -4.383 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.610 -5.250 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.117 -3.650 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.522 -3.799 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.203 -5.886 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.093 -4.470 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.412 -4.752 -2.724 1.00 0.00 H new ATOM 583 N ILE A 38 -5.906 -1.714 -2.711 1.00 0.00 N ATOM 584 CA ILE A 38 -5.385 -1.447 -4.041 1.00 0.00 C ATOM 585 C ILE A 38 -4.385 -2.541 -4.420 1.00 0.00 C ATOM 586 O ILE A 38 -3.503 -2.881 -3.633 1.00 0.00 O ATOM 587 CB ILE A 38 -4.808 -0.032 -4.116 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.877 1.014 -3.790 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.154 0.222 -5.475 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.899 1.125 -4.922 1.00 0.00 C ATOM 0 H ILE A 38 -5.310 -1.394 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.187 -1.478 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.027 0.059 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.384 0.745 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.405 1.983 -3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.752 1.235 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.346 -0.493 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.897 0.106 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.647 1.875 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.393 1.418 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.387 0.161 -5.068 1.00 0.00 H new ATOM 602 N PHE A 39 -4.554 -3.059 -5.627 1.00 0.00 N ATOM 603 CA PHE A 39 -3.678 -4.107 -6.122 1.00 0.00 C ATOM 604 C PHE A 39 -2.886 -3.630 -7.341 1.00 0.00 C ATOM 605 O PHE A 39 -3.469 -3.275 -8.364 1.00 0.00 O ATOM 606 CB PHE A 39 -4.569 -5.279 -6.534 1.00 0.00 C ATOM 607 CG PHE A 39 -5.146 -6.067 -5.357 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.337 -6.870 -4.614 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.468 -5.965 -5.052 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.872 -7.601 -3.521 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.003 -6.697 -3.959 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.193 -7.499 -3.216 1.00 0.00 C ATOM 0 H PHE A 39 -5.285 -2.772 -6.278 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.965 -4.391 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.391 -4.901 -7.142 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.992 -5.957 -7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.288 -6.951 -4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.110 -5.327 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.229 -8.238 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.053 -6.617 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.599 -8.055 -2.384 1.00 0.00 H new ATOM 622 N ILE A 40 -1.569 -3.636 -7.192 1.00 0.00 N ATOM 623 CA ILE A 40 -0.693 -3.208 -8.269 1.00 0.00 C ATOM 624 C ILE A 40 -0.183 -4.436 -9.025 1.00 0.00 C ATOM 625 O ILE A 40 0.267 -5.404 -8.413 1.00 0.00 O ATOM 626 CB ILE A 40 0.425 -2.314 -7.726 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.118 -1.327 -6.690 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.159 -1.603 -8.865 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.980 -0.373 -6.214 1.00 0.00 C ATOM 0 H ILE A 40 -1.088 -3.930 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.242 -2.597 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 40 1.153 -2.946 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.939 -0.755 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.524 -1.874 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.948 -0.974 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.597 -2.344 -9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.455 -0.984 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.568 0.318 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.789 -0.946 -5.760 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.367 0.190 -7.064 1.00 0.00 H new ATOM 641 N THR A 41 -0.271 -4.358 -10.344 1.00 0.00 N ATOM 642 CA THR A 41 0.175 -5.452 -11.191 1.00 0.00 C ATOM 643 C THR A 41 1.585 -5.178 -11.717 1.00 0.00 C ATOM 644 O THR A 41 2.075 -4.053 -11.633 1.00 0.00 O ATOM 645 CB THR A 41 -0.861 -5.644 -12.300 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.221 -4.316 -12.672 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.166 -6.254 -11.784 1.00 0.00 C ATOM 0 H THR A 41 -0.645 -3.554 -10.848 1.00 0.00 H new ATOM 0 HA THR A 41 0.247 -6.383 -10.629 1.00 0.00 H new ATOM 0 HB THR A 41 -0.445 -6.284 -13.078 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.888 -3.970 -12.043 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.866 -6.369 -12.611 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.962 -7.230 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.601 -5.599 -11.029 1.00 0.00 H new ATOM 655 N LYS A 42 2.198 -6.227 -12.247 1.00 0.00 N ATOM 656 CA LYS A 42 3.542 -6.113 -12.786 1.00 0.00 C ATOM 657 C LYS A 42 3.575 -4.998 -13.835 1.00 0.00 C ATOM 658 O LYS A 42 4.498 -4.187 -13.855 1.00 0.00 O ATOM 659 CB LYS A 42 4.024 -7.466 -13.313 1.00 0.00 C ATOM 660 CG LYS A 42 5.204 -7.986 -12.489 1.00 0.00 C ATOM 661 CD LYS A 42 4.784 -8.263 -11.043 1.00 0.00 C ATOM 662 CE LYS A 42 3.858 -9.477 -10.964 1.00 0.00 C ATOM 663 NZ LYS A 42 4.611 -10.722 -11.239 1.00 0.00 N ATOM 0 H LYS A 42 1.789 -7.159 -12.314 1.00 0.00 H new ATOM 0 HA LYS A 42 4.244 -5.833 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.206 -8.186 -13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.320 -7.369 -14.358 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.593 -8.899 -12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.012 -7.255 -12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.669 -8.436 -10.430 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.279 -7.388 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.403 -9.531 -9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.046 -9.370 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.009 -11.545 -11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.895 -10.742 -12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.459 -10.755 -10.638 1.00 0.00 H new ATOM 677 N ARG A 43 2.554 -4.996 -14.680 1.00 0.00 N ATOM 678 CA ARG A 43 2.454 -3.995 -15.729 1.00 0.00 C ATOM 679 C ARG A 43 2.541 -2.589 -15.131 1.00 0.00 C ATOM 680 O ARG A 43 2.885 -1.635 -15.827 1.00 0.00 O ATOM 681 CB ARG A 43 1.139 -4.133 -16.498 1.00 0.00 C ATOM 682 CG ARG A 43 1.337 -3.823 -17.983 1.00 0.00 C ATOM 683 CD ARG A 43 0.565 -2.565 -18.387 1.00 0.00 C ATOM 684 NE ARG A 43 1.334 -1.800 -19.394 1.00 0.00 N ATOM 685 CZ ARG A 43 1.355 -2.089 -20.703 1.00 0.00 C ATOM 686 NH1 ARG A 43 0.648 -3.126 -21.171 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.082 -1.340 -21.543 1.00 0.00 N ATOM 0 H ARG A 43 1.790 -5.671 -14.660 1.00 0.00 H new ATOM 0 HA ARG A 43 3.284 -4.153 -16.418 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.751 -5.145 -16.383 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.395 -3.456 -16.078 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.398 -3.686 -18.191 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.001 -4.669 -18.583 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.408 -2.840 -18.793 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.380 -1.944 -17.510 1.00 0.00 H new ATOM 0 HE ARG A 43 1.883 -1.003 -19.072 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.094 -3.696 -20.532 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.664 -3.346 -22.167 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.620 -0.550 -21.187 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.098 -1.560 -22.539 1.00 0.00 H new ATOM 701 N GLY A 44 2.226 -2.506 -13.847 1.00 0.00 N ATOM 702 CA GLY A 44 2.264 -1.233 -13.147 1.00 0.00 C ATOM 703 C GLY A 44 0.854 -0.672 -12.952 1.00 0.00 C ATOM 704 O GLY A 44 0.690 0.446 -12.465 1.00 0.00 O ATOM 0 H GLY A 44 1.943 -3.300 -13.273 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.745 -1.361 -12.178 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.867 -0.522 -13.711 1.00 0.00 H new ATOM 708 N LEU A 45 -0.126 -1.472 -13.343 1.00 0.00 N ATOM 709 CA LEU A 45 -1.516 -1.069 -13.217 1.00 0.00 C ATOM 710 C LEU A 45 -2.003 -1.368 -11.798 1.00 0.00 C ATOM 711 O LEU A 45 -1.811 -2.473 -11.292 1.00 0.00 O ATOM 712 CB LEU A 45 -2.365 -1.724 -14.308 1.00 0.00 C ATOM 713 CG LEU A 45 -2.693 -0.848 -15.519 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.328 -1.556 -16.825 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.159 -0.407 -15.496 1.00 0.00 C ATOM 0 H LEU A 45 0.015 -2.398 -13.747 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.616 0.006 -13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.845 -2.615 -14.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.302 -2.057 -13.861 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.084 0.054 -15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.572 -0.911 -17.669 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.261 -1.777 -16.833 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.891 -2.486 -16.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.366 0.214 -16.367 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.804 -1.286 -15.516 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.353 0.165 -14.589 1.00 0.00 H new ATOM 727 N LYS A 46 -2.623 -0.365 -11.195 1.00 0.00 N ATOM 728 CA LYS A 46 -3.139 -0.506 -9.844 1.00 0.00 C ATOM 729 C LYS A 46 -4.668 -0.441 -9.877 1.00 0.00 C ATOM 730 O LYS A 46 -5.241 0.511 -10.404 1.00 0.00 O ATOM 731 CB LYS A 46 -2.499 0.527 -8.916 1.00 0.00 C ATOM 732 CG LYS A 46 -2.836 1.951 -9.364 1.00 0.00 C ATOM 733 CD LYS A 46 -2.405 2.975 -8.311 1.00 0.00 C ATOM 734 CE LYS A 46 -0.916 2.838 -7.991 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.244 4.154 -8.082 1.00 0.00 N ATOM 0 H LYS A 46 -2.780 0.550 -11.618 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.870 -1.479 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.849 0.371 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.417 0.392 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.339 2.166 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.908 2.036 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.612 3.982 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.990 2.836 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.789 2.427 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.452 2.137 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.766 4.044 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.349 4.532 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.676 4.812 -7.403 1.00 0.00 H new ATOM 749 N VAL A 47 -5.284 -1.465 -9.306 1.00 0.00 N ATOM 750 CA VAL A 47 -6.734 -1.536 -9.263 1.00 0.00 C ATOM 751 C VAL A 47 -7.202 -1.454 -7.809 1.00 0.00 C ATOM 752 O VAL A 47 -6.399 -1.584 -6.886 1.00 0.00 O ATOM 753 CB VAL A 47 -7.218 -2.801 -9.976 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.363 -3.964 -8.992 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.531 -2.544 -10.718 1.00 0.00 C ATOM 0 H VAL A 47 -4.805 -2.253 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.173 -0.691 -9.794 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.465 -3.078 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.708 -4.850 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.398 -4.171 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.086 -3.700 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.853 -3.459 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.295 -2.230 -10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.382 -1.760 -11.461 1.00 0.00 H new ATOM 765 N CYS A 48 -8.500 -1.238 -7.649 1.00 0.00 N ATOM 766 CA CYS A 48 -9.084 -1.137 -6.322 1.00 0.00 C ATOM 767 C CYS A 48 -10.000 -2.343 -6.107 1.00 0.00 C ATOM 768 O CYS A 48 -10.723 -2.748 -7.017 1.00 0.00 O ATOM 769 CB CYS A 48 -9.828 0.187 -6.132 1.00 0.00 C ATOM 770 SG CYS A 48 -9.132 1.600 -7.061 1.00 0.00 S ATOM 0 H CYS A 48 -9.163 -1.130 -8.416 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.293 -1.145 -5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.867 0.050 -6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.833 0.435 -5.071 1.00 0.00 H new ATOM 775 N ALA A 49 -9.941 -2.883 -4.899 1.00 0.00 N ATOM 776 CA ALA A 49 -10.756 -4.035 -4.554 1.00 0.00 C ATOM 777 C ALA A 49 -11.360 -3.829 -3.162 1.00 0.00 C ATOM 778 O ALA A 49 -10.800 -3.103 -2.341 1.00 0.00 O ATOM 779 CB ALA A 49 -9.909 -5.306 -4.639 1.00 0.00 C ATOM 0 H ALA A 49 -9.341 -2.544 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.580 -4.146 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.522 -6.170 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.528 -5.422 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.073 -5.233 -3.944 1.00 0.00 H new ATOM 785 N ASP A 50 -12.492 -4.479 -2.941 1.00 0.00 N ATOM 786 CA ASP A 50 -13.177 -4.376 -1.663 1.00 0.00 C ATOM 787 C ASP A 50 -12.598 -5.409 -0.695 1.00 0.00 C ATOM 788 O ASP A 50 -12.441 -6.577 -1.047 1.00 0.00 O ATOM 789 CB ASP A 50 -14.673 -4.657 -1.816 1.00 0.00 C ATOM 790 CG ASP A 50 -15.571 -3.419 -1.775 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.004 -2.311 -1.650 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.802 -3.607 -1.869 1.00 0.00 O ATOM 0 H ASP A 50 -12.953 -5.079 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.037 -3.363 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.835 -5.174 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.982 -5.338 -1.023 1.00 0.00 H new ATOM 797 N PRO A 51 -12.288 -4.930 0.540 1.00 0.00 N ATOM 798 CA PRO A 51 -11.731 -5.799 1.562 1.00 0.00 C ATOM 799 C PRO A 51 -12.806 -6.716 2.149 1.00 0.00 C ATOM 800 O PRO A 51 -12.526 -7.515 3.041 1.00 0.00 O ATOM 801 CB PRO A 51 -11.125 -4.859 2.591 1.00 0.00 C ATOM 802 CG PRO A 51 -11.769 -3.503 2.346 1.00 0.00 C ATOM 803 CD PRO A 51 -12.461 -3.553 0.994 1.00 0.00 C ATOM 0 HA PRO A 51 -10.975 -6.478 1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.323 -5.208 3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.042 -4.803 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.486 -3.273 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.016 -2.715 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.516 -3.294 1.079 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.015 -2.846 0.294 1.00 0.00 H new ATOM 811 N GLN A 52 -14.014 -6.568 1.625 1.00 0.00 N ATOM 812 CA GLN A 52 -15.133 -7.372 2.087 1.00 0.00 C ATOM 813 C GLN A 52 -15.117 -8.743 1.408 1.00 0.00 C ATOM 814 O GLN A 52 -15.848 -9.647 1.810 1.00 0.00 O ATOM 815 CB GLN A 52 -16.462 -6.655 1.841 1.00 0.00 C ATOM 816 CG GLN A 52 -17.643 -7.517 2.294 1.00 0.00 C ATOM 817 CD GLN A 52 -18.418 -8.060 1.092 1.00 0.00 C ATOM 818 OE1 GLN A 52 -17.965 -8.023 -0.040 1.00 0.00 O ATOM 819 NE2 GLN A 52 -19.608 -8.567 1.402 1.00 0.00 N ATOM 0 H GLN A 52 -14.242 -5.904 0.885 1.00 0.00 H new ATOM 0 HA GLN A 52 -15.030 -7.519 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.472 -5.707 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.563 -6.422 0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.281 -8.346 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.308 -6.927 2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.926 -8.566 2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.203 -8.957 0.671 1.00 0.00 H new ATOM 828 N ALA A 53 -14.274 -8.855 0.392 1.00 0.00 N ATOM 829 CA ALA A 53 -14.153 -10.101 -0.345 1.00 0.00 C ATOM 830 C ALA A 53 -13.152 -11.014 0.365 1.00 0.00 C ATOM 831 O ALA A 53 -12.064 -10.578 0.737 1.00 0.00 O ATOM 832 CB ALA A 53 -13.744 -9.801 -1.790 1.00 0.00 C ATOM 0 H ALA A 53 -13.668 -8.103 0.062 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.110 -10.622 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.653 -10.735 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.501 -9.173 -2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.786 -9.281 -1.796 1.00 0.00 H new ATOM 838 N THR A 54 -13.556 -12.265 0.533 1.00 0.00 N ATOM 839 CA THR A 54 -12.708 -13.243 1.192 1.00 0.00 C ATOM 840 C THR A 54 -11.516 -13.603 0.303 1.00 0.00 C ATOM 841 O THR A 54 -10.391 -13.726 0.785 1.00 0.00 O ATOM 842 CB THR A 54 -13.576 -14.448 1.561 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.419 -13.963 2.603 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.770 -15.568 2.226 1.00 0.00 C ATOM 0 H THR A 54 -14.460 -12.623 0.224 1.00 0.00 H new ATOM 0 HA THR A 54 -12.278 -12.839 2.109 1.00 0.00 H new ATOM 0 HB THR A 54 -14.063 -14.833 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.017 -14.680 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.433 -16.399 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.992 -15.911 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.311 -15.192 3.140 1.00 0.00 H new ATOM 852 N TRP A 55 -11.803 -13.760 -0.981 1.00 0.00 N ATOM 853 CA TRP A 55 -10.769 -14.102 -1.943 1.00 0.00 C ATOM 854 C TRP A 55 -9.714 -12.994 -1.917 1.00 0.00 C ATOM 855 O TRP A 55 -8.528 -13.257 -2.114 1.00 0.00 O ATOM 856 CB TRP A 55 -11.366 -14.327 -3.333 1.00 0.00 C ATOM 857 CG TRP A 55 -11.563 -13.043 -4.142 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.712 -12.413 -4.421 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.530 -12.253 -4.765 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.496 -11.278 -5.178 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.126 -11.179 -5.394 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.137 -12.441 -4.799 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.406 -10.208 -6.101 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.432 -11.462 -5.510 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.017 -10.374 -6.148 1.00 0.00 C ATOM 0 H TRP A 55 -12.737 -13.657 -1.378 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.291 -15.044 -1.676 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.716 -15.000 -3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.328 -14.828 -3.227 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.685 -12.750 -4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.209 -10.632 -5.516 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.649 -13.274 -4.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.896 -9.376 -6.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.358 -11.559 -5.567 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.403 -9.661 -6.677 1.00 0.00 H new ATOM 876 N VAL A 56 -10.183 -11.780 -1.673 1.00 0.00 N ATOM 877 CA VAL A 56 -9.296 -10.632 -1.618 1.00 0.00 C ATOM 878 C VAL A 56 -8.393 -10.746 -0.388 1.00 0.00 C ATOM 879 O VAL A 56 -7.179 -10.573 -0.484 1.00 0.00 O ATOM 880 CB VAL A 56 -10.111 -9.337 -1.643 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.217 -8.121 -1.390 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.871 -9.194 -2.964 1.00 0.00 C ATOM 0 H VAL A 56 -11.167 -11.566 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.649 -10.610 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.844 -9.386 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.821 -7.214 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.742 -8.216 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.450 -8.066 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.442 -8.266 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.162 -9.177 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.551 -10.037 -3.086 1.00 0.00 H new ATOM 892 N ARG A 57 -9.023 -11.038 0.741 1.00 0.00 N ATOM 893 CA ARG A 57 -8.293 -11.178 1.990 1.00 0.00 C ATOM 894 C ARG A 57 -7.288 -12.328 1.891 1.00 0.00 C ATOM 895 O ARG A 57 -6.191 -12.247 2.442 1.00 0.00 O ATOM 896 CB ARG A 57 -9.245 -11.441 3.158 1.00 0.00 C ATOM 897 CG ARG A 57 -9.338 -10.220 4.075 1.00 0.00 C ATOM 898 CD ARG A 57 -10.685 -10.181 4.801 1.00 0.00 C ATOM 899 NE ARG A 57 -10.470 -10.130 6.264 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.207 -11.203 7.022 1.00 0.00 C ATOM 901 NH1 ARG A 57 -10.125 -12.416 6.461 1.00 0.00 N ATOM 902 NH2 ARG A 57 -10.026 -11.061 8.343 1.00 0.00 N ATOM 0 H ARG A 57 -10.030 -11.181 0.817 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.764 -10.243 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.235 -11.690 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.898 -12.303 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.528 -10.246 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.210 -9.310 3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.256 -9.310 4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.273 -11.062 4.542 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.525 -9.221 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.263 -12.523 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.925 -13.233 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.089 -10.137 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.826 -11.877 8.921 1.00 0.00 H new ATOM 916 N ASP A 58 -7.698 -13.371 1.185 1.00 0.00 N ATOM 917 CA ASP A 58 -6.847 -14.536 1.007 1.00 0.00 C ATOM 918 C ASP A 58 -5.669 -14.168 0.103 1.00 0.00 C ATOM 919 O ASP A 58 -4.528 -14.527 0.387 1.00 0.00 O ATOM 920 CB ASP A 58 -7.614 -15.681 0.343 1.00 0.00 C ATOM 921 CG ASP A 58 -7.455 -17.044 1.019 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.502 -17.758 0.638 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.288 -17.341 1.902 1.00 0.00 O ATOM 0 H ASP A 58 -8.608 -13.434 0.729 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.502 -14.856 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.673 -15.424 0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.286 -15.766 -0.693 1.00 0.00 H new ATOM 928 N VAL A 59 -5.986 -13.454 -0.968 1.00 0.00 N ATOM 929 CA VAL A 59 -4.968 -13.034 -1.916 1.00 0.00 C ATOM 930 C VAL A 59 -4.053 -12.004 -1.251 1.00 0.00 C ATOM 931 O VAL A 59 -2.846 -11.997 -1.486 1.00 0.00 O ATOM 932 CB VAL A 59 -5.627 -12.512 -3.194 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.730 -11.489 -3.895 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.986 -13.663 -4.136 1.00 0.00 C ATOM 0 H VAL A 59 -6.934 -13.156 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.346 -13.880 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.552 -12.009 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.222 -11.134 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.547 -10.647 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.781 -11.957 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.453 -13.264 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.081 -14.207 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.680 -14.339 -3.637 1.00 0.00 H new ATOM 944 N VAL A 60 -4.664 -11.157 -0.434 1.00 0.00 N ATOM 945 CA VAL A 60 -3.919 -10.125 0.267 1.00 0.00 C ATOM 946 C VAL A 60 -2.850 -10.779 1.144 1.00 0.00 C ATOM 947 O VAL A 60 -1.727 -10.284 1.233 1.00 0.00 O ATOM 948 CB VAL A 60 -4.878 -9.234 1.058 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.139 -8.482 2.167 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.613 -8.262 0.133 1.00 0.00 C ATOM 0 H VAL A 60 -5.666 -11.165 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.405 -9.477 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.622 -9.877 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.844 -7.856 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.683 -9.198 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.363 -7.856 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.288 -7.640 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.889 -7.628 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.187 -8.824 -0.604 1.00 0.00 H new ATOM 960 N ARG A 61 -3.236 -11.882 1.768 1.00 0.00 N ATOM 961 CA ARG A 61 -2.324 -12.610 2.635 1.00 0.00 C ATOM 962 C ARG A 61 -1.075 -13.029 1.858 1.00 0.00 C ATOM 963 O ARG A 61 0.042 -12.908 2.360 1.00 0.00 O ATOM 964 CB ARG A 61 -2.995 -13.854 3.219 1.00 0.00 C ATOM 965 CG ARG A 61 -2.025 -14.634 4.109 1.00 0.00 C ATOM 966 CD ARG A 61 -1.667 -13.834 5.363 1.00 0.00 C ATOM 967 NE ARG A 61 -2.252 -14.480 6.559 1.00 0.00 N ATOM 968 CZ ARG A 61 -1.947 -14.142 7.820 1.00 0.00 C ATOM 969 NH1 ARG A 61 -1.064 -13.162 8.056 1.00 0.00 N ATOM 970 NH2 ARG A 61 -2.527 -14.784 8.843 1.00 0.00 N ATOM 0 H ARG A 61 -4.168 -12.290 1.691 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.042 -11.946 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.870 -13.561 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.348 -14.495 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.474 -15.585 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.118 -14.865 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.584 -13.770 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.039 -12.813 5.272 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.929 -15.229 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.624 -12.673 7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.832 -12.905 9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.200 -15.529 8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.296 -14.528 9.803 1.00 0.00 H new ATOM 984 N SER A 62 -1.305 -13.514 0.646 1.00 0.00 N ATOM 985 CA SER A 62 -0.212 -13.952 -0.204 1.00 0.00 C ATOM 986 C SER A 62 0.564 -12.741 -0.726 1.00 0.00 C ATOM 987 O SER A 62 1.791 -12.707 -0.652 1.00 0.00 O ATOM 988 CB SER A 62 -0.727 -14.796 -1.373 1.00 0.00 C ATOM 989 OG SER A 62 0.286 -15.644 -1.906 1.00 0.00 O ATOM 0 H SER A 62 -2.232 -13.613 0.233 1.00 0.00 H new ATOM 0 HA SER A 62 0.456 -14.574 0.392 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.569 -15.403 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.100 -14.138 -2.158 1.00 0.00 H new ATOM 0 HG SER A 62 -0.082 -16.167 -2.648 1.00 0.00 H new ATOM 995 N MET A 63 -0.184 -11.777 -1.241 1.00 0.00 N ATOM 996 CA MET A 63 0.418 -10.566 -1.775 1.00 0.00 C ATOM 997 C MET A 63 1.541 -10.065 -0.864 1.00 0.00 C ATOM 998 O MET A 63 2.614 -9.701 -1.342 1.00 0.00 O ATOM 999 CB MET A 63 -0.652 -9.480 -1.910 1.00 0.00 C ATOM 1000 CG MET A 63 -1.497 -9.698 -3.169 1.00 0.00 C ATOM 1001 SD MET A 63 -0.465 -9.594 -4.621 1.00 0.00 S ATOM 1002 CE MET A 63 0.158 -7.931 -4.442 1.00 0.00 C ATOM 0 H MET A 63 -1.202 -11.809 -1.300 1.00 0.00 H new ATOM 0 HA MET A 63 0.842 -10.794 -2.753 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.295 -9.486 -1.030 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.178 -8.500 -1.951 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.983 -10.673 -3.127 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.288 -8.950 -3.220 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.487 -7.559 -5.412 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.631 -7.286 -4.055 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.999 -7.930 -3.749 1.00 0.00 H new ATOM 1012 N ASP A 64 1.254 -10.065 0.429 1.00 0.00 N ATOM 1013 CA ASP A 64 2.227 -9.615 1.410 1.00 0.00 C ATOM 1014 C ASP A 64 3.496 -10.461 1.289 1.00 0.00 C ATOM 1015 O ASP A 64 4.605 -9.930 1.315 1.00 0.00 O ATOM 1016 CB ASP A 64 1.687 -9.772 2.833 1.00 0.00 C ATOM 1017 CG ASP A 64 2.278 -8.803 3.860 1.00 0.00 C ATOM 1018 OD1 ASP A 64 3.301 -8.171 3.520 1.00 0.00 O ATOM 1019 OD2 ASP A 64 1.691 -8.715 4.960 1.00 0.00 O ATOM 0 H ASP A 64 0.362 -10.369 0.820 1.00 0.00 H new ATOM 0 HA ASP A 64 2.437 -8.563 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.605 -9.640 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.877 -10.792 3.167 1.00 0.00 H new ATOM 1024 N ARG A 65 3.290 -11.763 1.158 1.00 0.00 N ATOM 1025 CA ARG A 65 4.405 -12.688 1.034 1.00 0.00 C ATOM 1026 C ARG A 65 5.077 -12.526 -0.331 1.00 0.00 C ATOM 1027 O ARG A 65 6.299 -12.622 -0.439 1.00 0.00 O ATOM 1028 CB ARG A 65 3.938 -14.136 1.196 1.00 0.00 C ATOM 1029 CG ARG A 65 3.442 -14.396 2.620 1.00 0.00 C ATOM 1030 CD ARG A 65 4.399 -15.321 3.375 1.00 0.00 C ATOM 1031 NE ARG A 65 3.756 -15.817 4.610 1.00 0.00 N ATOM 1032 CZ ARG A 65 2.847 -16.801 4.642 1.00 0.00 C ATOM 1033 NH1 ARG A 65 2.469 -17.400 3.505 1.00 0.00 N ATOM 1034 NH2 ARG A 65 2.315 -17.186 5.810 1.00 0.00 N ATOM 0 H ARG A 65 2.369 -12.200 1.135 1.00 0.00 H new ATOM 0 HA ARG A 65 5.119 -12.457 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.139 -14.346 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.759 -14.815 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.348 -13.451 3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.449 -14.844 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.682 -16.161 2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.316 -14.785 3.623 1.00 0.00 H new ATOM 0 HE ARG A 65 4.021 -15.383 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.873 -17.107 2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.777 -18.149 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.602 -16.730 6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.623 -17.935 5.833 1.00 0.00 H new ATOM 1048 N LYS A 66 4.252 -12.284 -1.338 1.00 0.00 N ATOM 1049 CA LYS A 66 4.751 -12.108 -2.690 1.00 0.00 C ATOM 1050 C LYS A 66 5.635 -10.859 -2.745 1.00 0.00 C ATOM 1051 O LYS A 66 6.633 -10.832 -3.464 1.00 0.00 O ATOM 1052 CB LYS A 66 3.594 -12.086 -3.691 1.00 0.00 C ATOM 1053 CG LYS A 66 4.071 -11.627 -5.070 1.00 0.00 C ATOM 1054 CD LYS A 66 3.787 -12.692 -6.132 1.00 0.00 C ATOM 1055 CE LYS A 66 4.322 -12.260 -7.498 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.797 -12.147 -7.465 1.00 0.00 N ATOM 0 H LYS A 66 3.239 -12.206 -1.244 1.00 0.00 H new ATOM 0 HA LYS A 66 5.375 -12.954 -2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.155 -13.081 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.811 -11.418 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.571 -10.697 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.140 -11.417 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.248 -13.635 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.713 -12.869 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.024 -12.983 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.884 -11.303 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.168 -12.156 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.067 -11.257 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.195 -12.948 -6.935 1.00 0.00 H new ATOM 1070 N SER A 67 5.237 -9.858 -1.974 1.00 0.00 N ATOM 1071 CA SER A 67 5.980 -8.610 -1.926 1.00 0.00 C ATOM 1072 C SER A 67 6.276 -8.234 -0.472 1.00 0.00 C ATOM 1073 O SER A 67 6.059 -7.093 -0.067 1.00 0.00 O ATOM 1074 CB SER A 67 5.211 -7.484 -2.619 1.00 0.00 C ATOM 1075 OG SER A 67 5.964 -6.275 -2.667 1.00 0.00 O ATOM 0 H SER A 67 4.410 -9.886 -1.378 1.00 0.00 H new ATOM 0 HA SER A 67 6.921 -8.751 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.953 -7.791 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.274 -7.307 -2.092 1.00 0.00 H new ATOM 0 HG SER A 67 6.197 -5.998 -1.756 1.00 0.00 H new ATOM 1081 N ASN A 68 6.767 -9.214 0.271 1.00 0.00 N ATOM 1082 CA ASN A 68 7.094 -9.001 1.670 1.00 0.00 C ATOM 1083 C ASN A 68 8.494 -8.391 1.774 1.00 0.00 C ATOM 1084 O ASN A 68 8.640 -7.221 2.129 1.00 0.00 O ATOM 1085 CB ASN A 68 7.095 -10.321 2.444 1.00 0.00 C ATOM 1086 CG ASN A 68 6.019 -10.320 3.530 1.00 0.00 C ATOM 1087 OD1 ASN A 68 5.409 -9.309 3.836 1.00 0.00 O ATOM 1088 ND2 ASN A 68 5.819 -11.508 4.095 1.00 0.00 N ATOM 0 H ASN A 68 6.946 -10.158 -0.070 1.00 0.00 H new ATOM 0 HA ASN A 68 6.342 -8.336 2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.923 -11.150 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.074 -10.481 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.121 -11.612 4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.364 -12.315 3.792 1.00 0.00 H new ATOM 1095 N THR A 69 9.486 -9.209 1.458 1.00 0.00 N ATOM 1096 CA THR A 69 10.869 -8.764 1.511 1.00 0.00 C ATOM 1097 C THR A 69 11.228 -7.987 0.243 1.00 0.00 C ATOM 1098 O THR A 69 12.064 -7.085 0.279 1.00 0.00 O ATOM 1099 CB THR A 69 11.752 -9.992 1.743 1.00 0.00 C ATOM 1100 OG1 THR A 69 13.070 -9.459 1.832 1.00 0.00 O ATOM 1101 CG2 THR A 69 11.804 -10.914 0.522 1.00 0.00 C ATOM 0 H THR A 69 9.361 -10.178 1.164 1.00 0.00 H new ATOM 0 HA THR A 69 11.030 -8.070 2.336 1.00 0.00 H new ATOM 0 HB THR A 69 11.381 -10.549 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.708 -10.187 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.444 -11.770 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.799 -11.263 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.207 -10.367 -0.330 1.00 0.00 H new ATOM 1109 N ARG A 70 10.579 -8.366 -0.849 1.00 0.00 N ATOM 1110 CA ARG A 70 10.820 -7.716 -2.125 1.00 0.00 C ATOM 1111 C ARG A 70 10.504 -6.221 -2.029 1.00 0.00 C ATOM 1112 O ARG A 70 11.408 -5.401 -1.880 1.00 0.00 O ATOM 1113 CB ARG A 70 9.967 -8.340 -3.231 1.00 0.00 C ATOM 1114 CG ARG A 70 10.392 -9.784 -3.503 1.00 0.00 C ATOM 1115 CD ARG A 70 10.244 -10.128 -4.987 1.00 0.00 C ATOM 1116 NE ARG A 70 10.543 -11.561 -5.206 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.093 -12.272 -6.249 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.320 -11.687 -7.174 1.00 0.00 N ATOM 1119 NH2 ARG A 70 10.414 -13.567 -6.367 1.00 0.00 N ATOM 0 H ARG A 70 9.887 -9.115 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 70 11.873 -7.853 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.916 -8.315 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 70 10.061 -7.751 -4.144 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.428 -9.927 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.785 -10.464 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.231 -9.904 -5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.919 -9.512 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 70 11.128 -12.037 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.074 -10.701 -7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.977 -12.228 -7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.002 -14.013 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.071 -14.107 -7.161 1.00 0.00 H new ATOM 1133 N ASN A 71 9.218 -5.914 -2.116 1.00 0.00 N ATOM 1134 CA ASN A 71 8.772 -4.534 -2.040 1.00 0.00 C ATOM 1135 C ASN A 71 9.340 -3.753 -3.226 1.00 0.00 C ATOM 1136 O ASN A 71 8.622 -3.452 -4.178 1.00 0.00 O ATOM 1137 CB ASN A 71 9.263 -3.866 -0.754 1.00 0.00 C ATOM 1138 CG ASN A 71 8.094 -3.283 0.043 1.00 0.00 C ATOM 1139 OD1 ASN A 71 6.948 -3.671 -0.114 1.00 0.00 O ATOM 1140 ND2 ASN A 71 8.446 -2.331 0.902 1.00 0.00 N ATOM 0 H ASN A 71 8.471 -6.598 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 71 7.682 -4.531 -2.054 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.797 -4.594 -0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.971 -3.075 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.738 -1.878 1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.424 -2.054 0.983 1.00 0.00 H new ATOM 1147 N ASN A 72 10.626 -3.445 -3.130 1.00 0.00 N ATOM 1148 CA ASN A 72 11.299 -2.705 -4.183 1.00 0.00 C ATOM 1149 C ASN A 72 12.024 -3.685 -5.107 1.00 0.00 C ATOM 1150 O ASN A 72 12.035 -3.504 -6.324 1.00 0.00 O ATOM 1151 CB ASN A 72 12.341 -1.746 -3.602 1.00 0.00 C ATOM 1152 CG ASN A 72 11.696 -0.767 -2.619 1.00 0.00 C ATOM 1153 OD1 ASN A 72 10.898 0.082 -2.982 1.00 0.00 O ATOM 1154 ND2 ASN A 72 12.087 -0.930 -1.359 1.00 0.00 N ATOM 0 H ASN A 72 11.219 -3.695 -2.339 1.00 0.00 H new ATOM 0 HA ASN A 72 10.546 -2.135 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.121 -2.314 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.822 -1.193 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.715 -0.324 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.758 -1.661 -1.124 1.00 0.00 H new ATOM 1161 N MET A 73 12.609 -4.704 -4.494 1.00 0.00 N ATOM 1162 CA MET A 73 13.334 -5.714 -5.247 1.00 0.00 C ATOM 1163 C MET A 73 13.877 -5.137 -6.557 1.00 0.00 C ATOM 1164 O MET A 73 13.196 -5.165 -7.581 1.00 0.00 O ATOM 1165 CB MET A 73 12.403 -6.888 -5.554 1.00 0.00 C ATOM 1166 CG MET A 73 11.087 -6.400 -6.164 1.00 0.00 C ATOM 1167 SD MET A 73 10.442 -7.628 -7.288 1.00 0.00 S ATOM 1168 CE MET A 73 11.768 -7.683 -8.481 1.00 0.00 C ATOM 0 H MET A 73 12.596 -4.852 -3.485 1.00 0.00 H new ATOM 0 HA MET A 73 14.176 -6.054 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 73 12.894 -7.576 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 73 12.200 -7.444 -4.639 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.362 -6.202 -5.374 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.248 -5.460 -6.692 1.00 0.00 H new ATOM 0 HE1 MET A 73 11.496 -8.353 -9.297 1.00 0.00 H new ATOM 0 HE2 MET A 73 11.944 -6.682 -8.876 1.00 0.00 H new ATOM 0 HE3 MET A 73 12.676 -8.047 -8.000 1.00 0.00 H new ATOM 1178 N ILE A 74 15.098 -4.628 -6.480 1.00 0.00 N ATOM 1179 CA ILE A 74 15.739 -4.045 -7.647 1.00 0.00 C ATOM 1180 C ILE A 74 17.214 -3.782 -7.333 1.00 0.00 C ATOM 1181 O ILE A 74 17.599 -3.694 -6.169 1.00 0.00 O ATOM 1182 CB ILE A 74 14.979 -2.802 -8.112 1.00 0.00 C ATOM 1183 CG1 ILE A 74 14.476 -1.988 -6.919 1.00 0.00 C ATOM 1184 CG2 ILE A 74 13.845 -3.179 -9.069 1.00 0.00 C ATOM 1185 CD1 ILE A 74 15.609 -1.174 -6.293 1.00 0.00 C ATOM 0 H ILE A 74 15.660 -4.607 -5.629 1.00 0.00 H new ATOM 0 HA ILE A 74 15.709 -4.740 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 74 15.670 -2.166 -8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 74 13.678 -1.319 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.049 -2.657 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 74 13.320 -2.277 -9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.259 -3.683 -9.943 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.148 -3.846 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.224 -0.605 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.394 -1.848 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 74 16.018 -0.489 -7.035 1.00 0.00 H new ATOM 1197 N GLN A 75 17.999 -3.664 -8.394 1.00 0.00 N ATOM 1198 CA GLN A 75 19.423 -3.414 -8.247 1.00 0.00 C ATOM 1199 C GLN A 75 19.840 -2.209 -9.095 1.00 0.00 C ATOM 1200 O GLN A 75 20.376 -2.373 -10.190 1.00 0.00 O ATOM 1201 CB GLN A 75 20.239 -4.653 -8.617 1.00 0.00 C ATOM 1202 CG GLN A 75 20.122 -5.729 -7.535 1.00 0.00 C ATOM 1203 CD GLN A 75 21.347 -6.646 -7.538 1.00 0.00 C ATOM 1204 OE1 GLN A 75 21.819 -7.090 -8.571 1.00 0.00 O ATOM 1205 NE2 GLN A 75 21.834 -6.902 -6.327 1.00 0.00 N ATOM 0 H GLN A 75 17.676 -3.737 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 75 19.626 -3.186 -7.201 1.00 0.00 H new ATOM 0 HB2 GLN A 75 19.891 -5.051 -9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 75 21.285 -4.378 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 75 20.019 -5.257 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 75 19.221 -6.320 -7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 75 21.390 -6.497 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 75 22.652 -7.503 -6.223 1.00 0.00 H new ATOM 1214 N THR A 76 19.578 -1.027 -8.557 1.00 0.00 N ATOM 1215 CA THR A 76 19.919 0.203 -9.251 1.00 0.00 C ATOM 1216 C THR A 76 21.416 0.490 -9.121 1.00 0.00 C ATOM 1217 O THR A 76 21.880 0.917 -8.065 1.00 0.00 O ATOM 1218 CB THR A 76 19.035 1.320 -8.694 1.00 0.00 C ATOM 1219 OG1 THR A 76 17.742 1.034 -9.220 1.00 0.00 O ATOM 1220 CG2 THR A 76 19.382 2.689 -9.283 1.00 0.00 C ATOM 0 H THR A 76 19.134 -0.895 -7.648 1.00 0.00 H new ATOM 0 HA THR A 76 19.728 0.121 -10.321 1.00 0.00 H new ATOM 0 HB THR A 76 19.135 1.355 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 76 17.105 1.709 -8.907 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.726 3.446 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.418 2.933 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.250 2.664 -10.365 1.00 0.00 H new ATOM 1228 N LYS A 77 22.129 0.245 -10.211 1.00 0.00 N ATOM 1229 CA LYS A 77 23.564 0.473 -10.231 1.00 0.00 C ATOM 1230 C LYS A 77 23.904 1.460 -11.350 1.00 0.00 C ATOM 1231 O LYS A 77 24.310 1.053 -12.438 1.00 0.00 O ATOM 1232 CB LYS A 77 24.317 -0.856 -10.334 1.00 0.00 C ATOM 1233 CG LYS A 77 25.434 -0.937 -9.292 1.00 0.00 C ATOM 1234 CD LYS A 77 26.728 -1.459 -9.915 1.00 0.00 C ATOM 1235 CE LYS A 77 27.866 -0.450 -9.743 1.00 0.00 C ATOM 1236 NZ LYS A 77 29.072 -1.115 -9.201 1.00 0.00 N ATOM 0 H LYS A 77 21.740 -0.109 -11.085 1.00 0.00 H new ATOM 0 HA LYS A 77 23.890 0.926 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.622 -1.684 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 77 24.739 -0.962 -11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.606 0.049 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 77 25.129 -1.593 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 77 27.003 -2.406 -9.450 1.00 0.00 H new ATOM 0 HD3 LYS A 77 26.571 -1.658 -10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 77 28.099 0.012 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 77 27.552 0.350 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 29.834 -0.416 -9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.851 -1.535 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 29.380 -1.862 -9.855 1.00 0.00 H new ATOM 1250 N PRO A 78 23.720 2.770 -11.036 1.00 0.00 N ATOM 1251 CA PRO A 78 24.002 3.817 -12.004 1.00 0.00 C ATOM 1252 C PRO A 78 25.510 4.029 -12.157 1.00 0.00 C ATOM 1253 O PRO A 78 26.243 4.038 -11.170 1.00 0.00 O ATOM 1254 CB PRO A 78 23.281 5.045 -11.473 1.00 0.00 C ATOM 1255 CG PRO A 78 23.010 4.769 -10.003 1.00 0.00 C ATOM 1256 CD PRO A 78 23.241 3.287 -9.758 1.00 0.00 C ATOM 0 HA PRO A 78 23.655 3.569 -13.007 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.892 5.939 -11.596 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.351 5.217 -12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 78 23.669 5.367 -9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 78 21.987 5.044 -9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 78 23.973 3.126 -8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 78 22.322 2.789 -9.449 1.00 0.00 H new ATOM 1264 N THR A 79 25.927 4.196 -13.403 1.00 0.00 N ATOM 1265 CA THR A 79 27.334 4.409 -13.699 1.00 0.00 C ATOM 1266 C THR A 79 27.574 5.854 -14.142 1.00 0.00 C ATOM 1267 O THR A 79 26.626 6.590 -14.408 1.00 0.00 O ATOM 1268 CB THR A 79 27.758 3.375 -14.744 1.00 0.00 C ATOM 1269 OG1 THR A 79 27.201 2.152 -14.270 1.00 0.00 O ATOM 1270 CG2 THR A 79 29.267 3.123 -14.740 1.00 0.00 C ATOM 0 H THR A 79 25.316 4.188 -14.219 1.00 0.00 H new ATOM 0 HA THR A 79 27.951 4.268 -12.811 1.00 0.00 H new ATOM 0 HB THR A 79 27.449 3.712 -15.733 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.427 1.428 -14.890 1.00 0.00 H new ATOM 0 HG21 THR A 79 29.514 2.382 -15.500 1.00 0.00 H new ATOM 0 HG22 THR A 79 29.792 4.053 -14.957 1.00 0.00 H new ATOM 0 HG23 THR A 79 29.572 2.754 -13.761 1.00 0.00 H new ATOM 1278 N GLY A 80 28.847 6.215 -14.206 1.00 0.00 N ATOM 1279 CA GLY A 80 29.223 7.559 -14.611 1.00 0.00 C ATOM 1280 C GLY A 80 30.718 7.637 -14.928 1.00 0.00 C ATOM 1281 O GLY A 80 31.539 7.815 -14.029 1.00 0.00 O ATOM 0 H GLY A 80 29.631 5.601 -13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 80 28.646 7.854 -15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 80 28.979 8.264 -13.816 1.00 0.00 H new ATOM 1285 N THR A 81 31.026 7.499 -16.209 1.00 0.00 N ATOM 1286 CA THR A 81 32.409 7.552 -16.656 1.00 0.00 C ATOM 1287 C THR A 81 32.842 9.001 -16.881 1.00 0.00 C ATOM 1288 O THR A 81 32.063 9.928 -16.656 1.00 0.00 O ATOM 1289 CB THR A 81 32.535 6.679 -17.906 1.00 0.00 C ATOM 1290 OG1 THR A 81 31.865 5.471 -17.556 1.00 0.00 O ATOM 1291 CG2 THR A 81 33.977 6.242 -18.172 1.00 0.00 C ATOM 0 H THR A 81 30.343 7.351 -16.952 1.00 0.00 H new ATOM 0 HA THR A 81 33.085 7.158 -15.897 1.00 0.00 H new ATOM 0 HB THR A 81 32.156 7.226 -18.770 1.00 0.00 H new ATOM 0 HG1 THR A 81 31.898 4.848 -18.312 1.00 0.00 H new ATOM 0 HG21 THR A 81 34.010 5.625 -19.070 1.00 0.00 H new ATOM 0 HG22 THR A 81 34.604 7.122 -18.313 1.00 0.00 H new ATOM 0 HG23 THR A 81 34.345 5.667 -17.323 1.00 0.00 H new ATOM 1299 N GLN A 82 34.082 9.155 -17.322 1.00 0.00 N ATOM 1300 CA GLN A 82 34.627 10.476 -17.580 1.00 0.00 C ATOM 1301 C GLN A 82 35.845 10.377 -18.500 1.00 0.00 C ATOM 1302 O GLN A 82 36.327 9.281 -18.782 1.00 0.00 O ATOM 1303 CB GLN A 82 34.984 11.186 -16.272 1.00 0.00 C ATOM 1304 CG GLN A 82 34.351 12.578 -16.214 1.00 0.00 C ATOM 1305 CD GLN A 82 35.399 13.644 -15.887 1.00 0.00 C ATOM 1306 OE1 GLN A 82 36.420 13.769 -16.542 1.00 0.00 O ATOM 1307 NE2 GLN A 82 35.090 14.401 -14.838 1.00 0.00 N ATOM 0 H GLN A 82 34.725 8.385 -17.507 1.00 0.00 H new ATOM 0 HA GLN A 82 33.864 11.071 -18.082 1.00 0.00 H new ATOM 0 HB2 GLN A 82 34.641 10.591 -15.426 1.00 0.00 H new ATOM 0 HB3 GLN A 82 36.067 11.271 -16.184 1.00 0.00 H new ATOM 0 HG2 GLN A 82 33.880 12.807 -17.170 1.00 0.00 H new ATOM 0 HG3 GLN A 82 33.565 12.593 -15.459 1.00 0.00 H new ATOM 0 HE21 GLN A 82 34.218 14.242 -14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 82 35.725 15.140 -14.538 1.00 0.00 H new ATOM 1316 N GLN A 83 36.307 11.536 -18.944 1.00 0.00 N ATOM 1317 CA GLN A 83 37.460 11.595 -19.826 1.00 0.00 C ATOM 1318 C GLN A 83 38.108 12.980 -19.763 1.00 0.00 C ATOM 1319 O GLN A 83 37.429 13.977 -19.525 1.00 0.00 O ATOM 1320 CB GLN A 83 37.069 11.238 -21.263 1.00 0.00 C ATOM 1321 CG GLN A 83 38.292 10.799 -22.070 1.00 0.00 C ATOM 1322 CD GLN A 83 38.613 9.323 -21.820 1.00 0.00 C ATOM 1323 OE1 GLN A 83 38.729 8.869 -20.694 1.00 0.00 O ATOM 1324 NE2 GLN A 83 38.749 8.603 -22.930 1.00 0.00 N ATOM 0 H GLN A 83 35.903 12.443 -18.709 1.00 0.00 H new ATOM 0 HA GLN A 83 38.189 10.859 -19.488 1.00 0.00 H new ATOM 0 HB2 GLN A 83 36.328 10.438 -21.254 1.00 0.00 H new ATOM 0 HB3 GLN A 83 36.603 12.099 -21.742 1.00 0.00 H new ATOM 0 HG2 GLN A 83 38.108 10.960 -23.132 1.00 0.00 H new ATOM 0 HG3 GLN A 83 39.151 11.413 -21.798 1.00 0.00 H new ATOM 0 HE21 GLN A 83 38.639 9.046 -23.842 1.00 0.00 H new ATOM 0 HE22 GLN A 83 38.963 7.608 -22.869 1.00 0.00 H new ATOM 1333 N SER A 84 39.414 12.997 -19.982 1.00 0.00 N ATOM 1334 CA SER A 84 40.163 14.242 -19.953 1.00 0.00 C ATOM 1335 C SER A 84 41.371 14.149 -20.885 1.00 0.00 C ATOM 1336 O SER A 84 42.493 13.929 -20.433 1.00 0.00 O ATOM 1337 CB SER A 84 40.614 14.581 -18.530 1.00 0.00 C ATOM 1338 OG SER A 84 41.318 13.500 -17.922 1.00 0.00 O ATOM 0 H SER A 84 39.974 12.168 -20.181 1.00 0.00 H new ATOM 0 HA SER A 84 39.508 15.042 -20.298 1.00 0.00 H new ATOM 0 HB2 SER A 84 41.254 15.463 -18.553 1.00 0.00 H new ATOM 0 HB3 SER A 84 39.744 14.834 -17.924 1.00 0.00 H new ATOM 0 HG SER A 84 42.032 13.196 -18.521 1.00 0.00 H new ATOM 1344 N THR A 85 41.101 14.321 -22.171 1.00 0.00 N ATOM 1345 CA THR A 85 42.153 14.259 -23.171 1.00 0.00 C ATOM 1346 C THR A 85 43.196 15.349 -22.917 1.00 0.00 C ATOM 1347 O THR A 85 42.851 16.522 -22.778 1.00 0.00 O ATOM 1348 CB THR A 85 41.498 14.354 -24.551 1.00 0.00 C ATOM 1349 OG1 THR A 85 41.032 15.698 -24.623 1.00 0.00 O ATOM 1350 CG2 THR A 85 40.225 13.512 -24.656 1.00 0.00 C ATOM 0 H THR A 85 40.169 14.503 -22.543 1.00 0.00 H new ATOM 0 HA THR A 85 42.696 13.315 -23.116 1.00 0.00 H new ATOM 0 HB THR A 85 42.209 14.032 -25.312 1.00 0.00 H new ATOM 0 HG1 THR A 85 41.462 16.231 -23.922 1.00 0.00 H new ATOM 0 HG21 THR A 85 39.801 13.616 -25.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 40.465 12.465 -24.471 1.00 0.00 H new ATOM 0 HG23 THR A 85 39.500 13.854 -23.917 1.00 0.00 H new ATOM 1358 N ASN A 86 44.449 14.923 -22.864 1.00 0.00 N ATOM 1359 CA ASN A 86 45.545 15.848 -22.629 1.00 0.00 C ATOM 1360 C ASN A 86 46.240 16.157 -23.956 1.00 0.00 C ATOM 1361 O ASN A 86 46.110 15.402 -24.919 1.00 0.00 O ATOM 1362 CB ASN A 86 46.582 15.244 -21.681 1.00 0.00 C ATOM 1363 CG ASN A 86 47.076 16.284 -20.673 1.00 0.00 C ATOM 1364 OD1 ASN A 86 46.743 17.455 -20.738 1.00 0.00 O ATOM 1365 ND2 ASN A 86 47.888 15.792 -19.743 1.00 0.00 N ATOM 0 H ASN A 86 44.730 13.949 -22.980 1.00 0.00 H new ATOM 0 HA ASN A 86 45.132 16.753 -22.182 1.00 0.00 H new ATOM 0 HB2 ASN A 86 46.146 14.397 -21.151 1.00 0.00 H new ATOM 0 HB3 ASN A 86 47.425 14.860 -22.256 1.00 0.00 H new ATOM 0 HD21 ASN A 86 48.273 16.406 -19.025 1.00 0.00 H new ATOM 0 HD22 ASN A 86 48.126 14.800 -19.747 1.00 0.00 H new ATOM 1372 N THR A 87 46.962 17.267 -23.965 1.00 0.00 N ATOM 1373 CA THR A 87 47.678 17.685 -25.158 1.00 0.00 C ATOM 1374 C THR A 87 48.929 18.481 -24.780 1.00 0.00 C ATOM 1375 O THR A 87 49.090 18.878 -23.626 1.00 0.00 O ATOM 1376 CB THR A 87 46.706 18.467 -26.044 1.00 0.00 C ATOM 1377 OG1 THR A 87 46.358 19.604 -25.258 1.00 0.00 O ATOM 1378 CG2 THR A 87 45.378 17.734 -26.245 1.00 0.00 C ATOM 0 H THR A 87 47.067 17.890 -23.165 1.00 0.00 H new ATOM 0 HA THR A 87 48.037 16.825 -25.724 1.00 0.00 H new ATOM 0 HB THR A 87 47.169 18.654 -27.013 1.00 0.00 H new ATOM 0 HG1 THR A 87 45.731 20.168 -25.758 1.00 0.00 H new ATOM 0 HG21 THR A 87 44.725 18.332 -26.881 1.00 0.00 H new ATOM 0 HG22 THR A 87 45.563 16.770 -26.719 1.00 0.00 H new ATOM 0 HG23 THR A 87 44.899 17.577 -25.279 1.00 0.00 H new ATOM 1386 N ALA A 88 49.781 18.690 -25.771 1.00 0.00 N ATOM 1387 CA ALA A 88 51.013 19.430 -25.556 1.00 0.00 C ATOM 1388 C ALA A 88 51.714 19.646 -26.898 1.00 0.00 C ATOM 1389 O ALA A 88 52.703 18.981 -27.201 1.00 0.00 O ATOM 1390 CB ALA A 88 51.893 18.680 -24.553 1.00 0.00 C ATOM 0 H ALA A 88 49.643 18.360 -26.726 1.00 0.00 H new ATOM 0 HA ALA A 88 50.801 20.412 -25.132 1.00 0.00 H new ATOM 0 HB1 ALA A 88 52.817 19.236 -24.393 1.00 0.00 H new ATOM 0 HB2 ALA A 88 51.361 18.579 -23.607 1.00 0.00 H new ATOM 0 HB3 ALA A 88 52.128 17.690 -24.944 1.00 0.00 H new ATOM 1396 N VAL A 89 51.174 20.581 -27.667 1.00 0.00 N ATOM 1397 CA VAL A 89 51.736 20.894 -28.971 1.00 0.00 C ATOM 1398 C VAL A 89 51.877 22.411 -29.110 1.00 0.00 C ATOM 1399 O VAL A 89 50.879 23.126 -29.188 1.00 0.00 O ATOM 1400 CB VAL A 89 50.878 20.269 -30.074 1.00 0.00 C ATOM 1401 CG1 VAL A 89 49.507 20.943 -30.149 1.00 0.00 C ATOM 1402 CG2 VAL A 89 51.594 20.329 -31.424 1.00 0.00 C ATOM 0 H VAL A 89 50.354 21.132 -27.412 1.00 0.00 H new ATOM 0 HA VAL A 89 52.733 20.465 -29.071 1.00 0.00 H new ATOM 0 HB VAL A 89 50.722 19.220 -29.824 1.00 0.00 H new ATOM 0 HG11 VAL A 89 48.917 20.481 -30.940 1.00 0.00 H new ATOM 0 HG12 VAL A 89 48.991 20.825 -29.196 1.00 0.00 H new ATOM 0 HG13 VAL A 89 49.634 22.004 -30.364 1.00 0.00 H new ATOM 0 HG21 VAL A 89 50.963 19.879 -32.191 1.00 0.00 H new ATOM 0 HG22 VAL A 89 51.794 21.368 -31.684 1.00 0.00 H new ATOM 0 HG23 VAL A 89 52.535 19.783 -31.361 1.00 0.00 H new ATOM 1412 N THR A 90 53.124 22.857 -29.137 1.00 0.00 N ATOM 1413 CA THR A 90 53.409 24.276 -29.265 1.00 0.00 C ATOM 1414 C THR A 90 54.600 24.499 -30.199 1.00 0.00 C ATOM 1415 O THR A 90 55.463 23.632 -30.329 1.00 0.00 O ATOM 1416 CB THR A 90 53.622 24.844 -27.861 1.00 0.00 C ATOM 1417 OG1 THR A 90 52.346 24.724 -27.240 1.00 0.00 O ATOM 1418 CG2 THR A 90 53.892 26.350 -27.874 1.00 0.00 C ATOM 0 H THR A 90 53.949 22.261 -29.072 1.00 0.00 H new ATOM 0 HA THR A 90 52.574 24.807 -29.722 1.00 0.00 H new ATOM 0 HB THR A 90 54.457 24.330 -27.384 1.00 0.00 H new ATOM 0 HG1 THR A 90 52.394 25.068 -26.324 1.00 0.00 H new ATOM 0 HG21 THR A 90 54.036 26.703 -26.853 1.00 0.00 H new ATOM 0 HG22 THR A 90 54.789 26.554 -28.458 1.00 0.00 H new ATOM 0 HG23 THR A 90 53.043 26.868 -28.320 1.00 0.00 H new ATOM 1426 N LEU A 91 54.610 25.666 -30.825 1.00 0.00 N ATOM 1427 CA LEU A 91 55.681 26.014 -31.744 1.00 0.00 C ATOM 1428 C LEU A 91 57.015 25.540 -31.166 1.00 0.00 C ATOM 1429 O LEU A 91 57.204 25.535 -29.950 1.00 0.00 O ATOM 1430 CB LEU A 91 55.646 27.509 -32.066 1.00 0.00 C ATOM 1431 CG LEU A 91 56.421 28.419 -31.112 1.00 0.00 C ATOM 1432 CD1 LEU A 91 57.500 29.206 -31.860 1.00 0.00 C ATOM 1433 CD2 LEU A 91 55.473 29.337 -30.338 1.00 0.00 C ATOM 0 H LEU A 91 53.893 26.383 -30.714 1.00 0.00 H new ATOM 0 HA LEU A 91 55.547 25.504 -32.698 1.00 0.00 H new ATOM 0 HB2 LEU A 91 56.039 27.653 -33.073 1.00 0.00 H new ATOM 0 HB3 LEU A 91 54.605 27.833 -32.080 1.00 0.00 H new ATOM 0 HG LEU A 91 56.930 27.792 -30.380 1.00 0.00 H new ATOM 0 HD11 LEU A 91 58.036 29.845 -31.159 1.00 0.00 H new ATOM 0 HD12 LEU A 91 58.199 28.512 -32.326 1.00 0.00 H new ATOM 0 HD13 LEU A 91 57.034 29.822 -32.629 1.00 0.00 H new ATOM 0 HD21 LEU A 91 56.050 29.973 -29.667 1.00 0.00 H new ATOM 0 HD22 LEU A 91 54.916 29.959 -31.039 1.00 0.00 H new ATOM 0 HD23 LEU A 91 54.777 28.733 -29.756 1.00 0.00 H new ATOM 1445 N THR A 92 57.910 25.153 -32.065 1.00 0.00 N ATOM 1446 CA THR A 92 59.222 24.679 -31.659 1.00 0.00 C ATOM 1447 C THR A 92 60.317 25.564 -32.258 1.00 0.00 C ATOM 1448 O THR A 92 60.251 25.933 -33.429 1.00 0.00 O ATOM 1449 CB THR A 92 59.339 23.209 -32.064 1.00 0.00 C ATOM 1450 OG1 THR A 92 60.724 22.915 -31.907 1.00 0.00 O ATOM 1451 CG2 THR A 92 59.077 22.989 -33.556 1.00 0.00 C ATOM 0 H THR A 92 57.752 25.158 -33.073 1.00 0.00 H new ATOM 0 HA THR A 92 59.350 24.744 -30.579 1.00 0.00 H new ATOM 0 HB THR A 92 58.635 22.615 -31.481 1.00 0.00 H new ATOM 0 HG1 THR A 92 60.889 21.979 -32.147 1.00 0.00 H new ATOM 0 HG21 THR A 92 59.173 21.929 -33.790 1.00 0.00 H new ATOM 0 HG22 THR A 92 58.070 23.325 -33.802 1.00 0.00 H new ATOM 0 HG23 THR A 92 59.802 23.556 -34.140 1.00 0.00 H new ATOM 1459 N GLY A 93 61.299 25.879 -31.427 1.00 0.00 N ATOM 1460 CA GLY A 93 62.407 26.714 -31.859 1.00 0.00 C ATOM 1461 C GLY A 93 62.150 28.184 -31.524 1.00 0.00 C ATOM 1462 O GLY A 93 63.088 28.967 -31.387 1.00 0.00 O ATOM 0 H GLY A 93 61.351 25.571 -30.456 1.00 0.00 H new ATOM 0 HA2 GLY A 93 63.326 26.383 -31.376 1.00 0.00 H new ATOM 0 HA3 GLY A 93 62.553 26.603 -32.933 1.00 0.00 H new TER 1466 GLY A 93