USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 GLN : amide:sc= 1.2 K(o=0.72,f=-2.8!) USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -0.475 USER MOD Set 2.1: A 29 TYR OH : rot 180:sc= 0.277 USER MOD Set 2.2: A 50 SER OG : rot 69:sc= 0.288 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.156 (180deg=-0.713) USER MOD Single : A 1 MET N :NH3+ 126:sc= 0.0889 (180deg=-0.111) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.0641 (180deg=-0.374) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.397 F(o=-1.4,f=-0.4) USER MOD Single : A 17 GLN : amide:sc= 1.17 K(o=1.2,f=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= 1.47 (180deg=-3.82!) USER MOD Single : A 35 ASN : amide:sc= -0.0685 X(o=-0.069,f=-0.091) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -166:sc= 1.06 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-0.99) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 87:sc= 1.21 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.036) USER MOD Single : A 66 GLN : amide:sc= -0.891 X(o=-0.89,f=-0.87) USER MOD Single : A 67 HIS : no HE2:sc= 0.681 K(o=0.68,f=-3.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.529 F(o=-1.4,f=-0.53) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= 1.32 (180deg=1.18) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= 1.18 (180deg=0.56) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 4:sc= -0.434 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.9!) USER MOD Single : A 113 LYS NZ :NH3+ -120:sc= 0.0616 (180deg=-0.617!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.961 11.153 14.473 1.00 16.25 N ATOM 2 CA MET A 1 20.563 9.812 13.985 1.00 15.99 C ATOM 3 C MET A 1 20.374 9.846 12.473 1.00 15.41 C ATOM 4 O MET A 1 20.203 10.922 11.895 1.00 15.45 O ATOM 5 CB MET A 1 19.266 9.397 14.696 1.00 16.51 C ATOM 6 CG MET A 1 18.045 10.247 14.339 1.00 16.79 C ATOM 7 SD MET A 1 16.557 9.759 15.245 1.00 17.24 S ATOM 8 CE MET A 1 17.063 10.084 16.932 1.00 17.83 C ATOM 0 H1 MET A 1 20.311 11.455 15.226 1.00 16.25 H new ATOM 0 H2 MET A 1 21.930 11.112 14.848 1.00 16.25 H new ATOM 0 H3 MET A 1 20.922 11.834 13.688 1.00 16.25 H new ATOM 0 HA MET A 1 21.341 9.081 14.207 1.00 15.99 H new ATOM 0 HB2 MET A 1 19.051 8.356 14.454 1.00 16.51 H new ATOM 0 HB3 MET A 1 19.425 9.447 15.773 1.00 16.51 H new ATOM 0 HG2 MET A 1 18.264 11.294 14.548 1.00 16.79 H new ATOM 0 HG3 MET A 1 17.855 10.168 13.269 1.00 16.79 H new ATOM 0 HE1 MET A 1 16.180 10.196 17.561 1.00 17.83 H new ATOM 0 HE2 MET A 1 17.666 9.253 17.298 1.00 17.83 H new ATOM 0 HE3 MET A 1 17.651 11.001 16.965 1.00 17.83 H new ATOM 20 N GLY A 2 20.412 8.685 11.828 1.00 15.02 N ATOM 21 CA GLY A 2 20.246 8.646 10.388 1.00 14.60 C ATOM 22 C GLY A 2 20.147 7.236 9.841 1.00 13.81 C ATOM 23 O GLY A 2 21.133 6.686 9.349 1.00 13.66 O ATOM 0 H GLY A 2 20.554 7.778 12.272 1.00 15.02 H new ATOM 0 HA2 GLY A 2 19.347 9.199 10.116 1.00 14.60 H new ATOM 0 HA3 GLY A 2 21.087 9.154 9.917 1.00 14.60 H new ATOM 27 N ASP A 3 18.959 6.655 9.919 1.00 13.48 N ATOM 28 CA ASP A 3 18.732 5.303 9.421 1.00 12.89 C ATOM 29 C ASP A 3 18.532 5.324 7.905 1.00 12.18 C ATOM 30 O ASP A 3 17.418 5.448 7.409 1.00 12.23 O ATOM 31 CB ASP A 3 17.529 4.651 10.131 1.00 13.20 C ATOM 32 CG ASP A 3 16.281 5.524 10.170 1.00 13.55 C ATOM 33 OD1 ASP A 3 16.334 6.630 10.760 1.00 13.96 O ATOM 34 OD2 ASP A 3 15.234 5.096 9.642 1.00 13.59 O ATOM 0 H ASP A 3 18.134 7.099 10.323 1.00 13.48 H new ATOM 0 HA ASP A 3 19.613 4.700 9.642 1.00 12.89 H new ATOM 0 HB2 ASP A 3 17.288 3.714 9.628 1.00 13.20 H new ATOM 0 HB3 ASP A 3 17.816 4.400 11.152 1.00 13.20 H new ATOM 39 N THR A 4 19.628 5.227 7.164 1.00 11.73 N ATOM 40 CA THR A 4 19.563 5.266 5.710 1.00 11.23 C ATOM 41 C THR A 4 19.164 3.914 5.126 1.00 10.51 C ATOM 42 O THR A 4 19.938 2.956 5.156 1.00 10.53 O ATOM 43 CB THR A 4 20.914 5.711 5.143 1.00 11.64 C ATOM 44 OG1 THR A 4 21.367 6.892 5.790 1.00 12.39 O ATOM 45 CG2 THR A 4 20.889 5.985 3.654 1.00 11.87 C ATOM 0 H THR A 4 20.569 5.121 7.544 1.00 11.73 H new ATOM 0 HA THR A 4 18.794 5.985 5.426 1.00 11.23 H new ATOM 0 HB THR A 4 21.587 4.873 5.326 1.00 11.64 H new ATOM 0 HG1 THR A 4 22.232 7.159 5.415 1.00 12.39 H new ATOM 0 HG21 THR A 4 21.881 6.295 3.324 1.00 11.87 H new ATOM 0 HG22 THR A 4 20.597 5.079 3.122 1.00 11.87 H new ATOM 0 HG23 THR A 4 20.172 6.778 3.442 1.00 11.87 H new ATOM 53 N GLY A 5 17.962 3.846 4.588 1.00 10.10 N ATOM 54 CA GLY A 5 17.499 2.613 3.998 1.00 9.63 C ATOM 55 C GLY A 5 16.514 2.863 2.879 1.00 9.04 C ATOM 56 O GLY A 5 15.528 3.573 3.063 1.00 9.05 O ATOM 0 H GLY A 5 17.299 4.620 4.549 1.00 10.10 H new ATOM 0 HA2 GLY A 5 18.351 2.051 3.614 1.00 9.63 H new ATOM 0 HA3 GLY A 5 17.030 1.997 4.765 1.00 9.63 H new ATOM 60 N LYS A 6 16.775 2.290 1.713 1.00 8.78 N ATOM 61 CA LYS A 6 15.886 2.462 0.571 1.00 8.49 C ATOM 62 C LYS A 6 14.714 1.497 0.697 1.00 7.56 C ATOM 63 O LYS A 6 13.590 1.772 0.263 1.00 7.43 O ATOM 64 CB LYS A 6 16.644 2.246 -0.751 1.00 9.13 C ATOM 65 CG LYS A 6 17.303 3.519 -1.287 1.00 9.99 C ATOM 66 CD LYS A 6 18.382 4.044 -0.348 1.00 10.66 C ATOM 67 CE LYS A 6 18.711 5.501 -0.635 1.00 11.46 C ATOM 68 NZ LYS A 6 17.585 6.403 -0.274 1.00 11.90 N ATOM 0 H LYS A 6 17.591 1.705 1.532 1.00 8.78 H new ATOM 0 HA LYS A 6 15.505 3.483 0.563 1.00 8.49 H new ATOM 0 HB2 LYS A 6 17.409 1.484 -0.602 1.00 9.13 H new ATOM 0 HB3 LYS A 6 15.952 1.861 -1.500 1.00 9.13 H new ATOM 0 HG2 LYS A 6 17.741 3.316 -2.264 1.00 9.99 H new ATOM 0 HG3 LYS A 6 16.543 4.287 -1.431 1.00 9.99 H new ATOM 0 HD2 LYS A 6 18.048 3.942 0.685 1.00 10.66 H new ATOM 0 HD3 LYS A 6 19.283 3.439 -0.453 1.00 10.66 H new ATOM 0 HE2 LYS A 6 19.601 5.789 -0.076 1.00 11.46 H new ATOM 0 HE3 LYS A 6 18.946 5.619 -1.693 1.00 11.46 H new ATOM 0 HZ1 LYS A 6 17.938 7.376 -0.174 1.00 11.90 H new ATOM 0 HZ2 LYS A 6 16.862 6.372 -1.021 1.00 11.90 H new ATOM 0 HZ3 LYS A 6 17.166 6.092 0.626 1.00 11.90 H new ATOM 82 N LEU A 7 14.991 0.382 1.342 1.00 7.18 N ATOM 83 CA LEU A 7 14.003 -0.642 1.600 1.00 6.55 C ATOM 84 C LEU A 7 13.975 -0.880 3.104 1.00 5.97 C ATOM 85 O LEU A 7 13.642 0.032 3.858 1.00 6.20 O ATOM 86 CB LEU A 7 14.354 -1.928 0.844 1.00 7.03 C ATOM 87 CG LEU A 7 13.225 -2.960 0.732 1.00 7.64 C ATOM 88 CD1 LEU A 7 12.115 -2.453 -0.177 1.00 7.67 C ATOM 89 CD2 LEU A 7 13.750 -4.294 0.219 1.00 8.38 C ATOM 0 H LEU A 7 15.918 0.160 1.705 1.00 7.18 H new ATOM 0 HA LEU A 7 13.019 -0.326 1.252 1.00 6.55 H new ATOM 0 HB2 LEU A 7 14.678 -1.660 -0.162 1.00 7.03 H new ATOM 0 HB3 LEU A 7 15.204 -2.398 1.338 1.00 7.03 H new ATOM 0 HG LEU A 7 12.817 -3.111 1.731 1.00 7.64 H new ATOM 0 HD11 LEU A 7 11.326 -3.202 -0.241 1.00 7.67 H new ATOM 0 HD12 LEU A 7 11.705 -1.528 0.230 1.00 7.67 H new ATOM 0 HD13 LEU A 7 12.517 -2.265 -1.172 1.00 7.67 H new ATOM 0 HD21 LEU A 7 12.928 -5.006 0.150 1.00 8.38 H new ATOM 0 HD22 LEU A 7 14.194 -4.155 -0.767 1.00 8.38 H new ATOM 0 HD23 LEU A 7 14.505 -4.677 0.906 1.00 8.38 H new ATOM 101 N GLY A 8 14.355 -2.078 3.544 1.00 5.56 N ATOM 102 CA GLY A 8 14.389 -2.367 4.969 1.00 5.28 C ATOM 103 C GLY A 8 13.053 -2.186 5.666 1.00 4.37 C ATOM 104 O GLY A 8 12.988 -2.256 6.893 1.00 4.43 O ATOM 0 H GLY A 8 14.639 -2.851 2.942 1.00 5.56 H new ATOM 0 HA2 GLY A 8 14.727 -3.393 5.114 1.00 5.28 H new ATOM 0 HA3 GLY A 8 15.126 -1.719 5.444 1.00 5.28 H new ATOM 108 N ARG A 9 11.985 -1.925 4.897 1.00 3.85 N ATOM 109 CA ARG A 9 10.661 -1.706 5.474 1.00 3.14 C ATOM 110 C ARG A 9 10.675 -0.495 6.406 1.00 2.98 C ATOM 111 O ARG A 9 10.439 -0.607 7.610 1.00 3.23 O ATOM 112 CB ARG A 9 10.210 -2.968 6.199 1.00 2.97 C ATOM 113 CG ARG A 9 10.172 -4.178 5.279 1.00 3.11 C ATOM 114 CD ARG A 9 10.275 -5.489 6.032 1.00 3.35 C ATOM 115 NE ARG A 9 10.438 -6.607 5.113 1.00 3.78 N ATOM 116 CZ ARG A 9 10.527 -7.876 5.498 1.00 4.27 C ATOM 117 NH1 ARG A 9 10.161 -8.218 6.725 1.00 4.46 N ATOM 118 NH2 ARG A 9 10.689 -8.818 4.587 1.00 4.95 N ATOM 0 H ARG A 9 12.017 -1.862 3.879 1.00 3.85 H new ATOM 0 HA ARG A 9 9.947 -1.492 4.678 1.00 3.14 H new ATOM 0 HB2 ARG A 9 10.885 -3.168 7.031 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.220 -2.806 6.624 1.00 2.97 H new ATOM 0 HG2 ARG A 9 9.245 -4.165 4.706 1.00 3.11 H new ATOM 0 HG3 ARG A 9 10.990 -4.110 4.562 1.00 3.11 H new ATOM 0 HD2 ARG A 9 11.120 -5.452 6.719 1.00 3.35 H new ATOM 0 HD3 ARG A 9 9.380 -5.637 6.636 1.00 3.35 H new ATOM 0 HE ARG A 9 10.487 -6.404 4.115 1.00 3.78 H new ATOM 0 HH11 ARG A 9 9.813 -7.508 7.370 1.00 4.46 H new ATOM 0 HH12 ARG A 9 10.228 -9.191 7.025 1.00 4.46 H new ATOM 0 HH21 ARG A 9 10.745 -8.568 3.600 1.00 4.95 H new ATOM 0 HH22 ARG A 9 10.759 -9.795 4.871 1.00 4.95 H new ATOM 132 N ILE A 10 10.963 0.660 5.812 1.00 2.78 N ATOM 133 CA ILE A 10 11.024 1.928 6.531 1.00 2.70 C ATOM 134 C ILE A 10 9.638 2.387 7.001 1.00 2.20 C ATOM 135 O ILE A 10 9.497 2.860 8.129 1.00 2.49 O ATOM 136 CB ILE A 10 11.675 3.037 5.655 1.00 2.80 C ATOM 137 CG1 ILE A 10 11.661 4.393 6.366 1.00 2.80 C ATOM 138 CG2 ILE A 10 10.984 3.140 4.311 1.00 2.55 C ATOM 139 CD1 ILE A 10 12.553 4.428 7.578 1.00 3.25 C ATOM 0 H ILE A 10 11.161 0.742 4.815 1.00 2.78 H new ATOM 0 HA ILE A 10 11.644 1.760 7.412 1.00 2.70 H new ATOM 0 HB ILE A 10 12.715 2.754 5.490 1.00 2.80 H new ATOM 0 HG12 ILE A 10 11.976 5.168 5.667 1.00 2.80 H new ATOM 0 HG13 ILE A 10 10.640 4.630 6.665 1.00 2.80 H new ATOM 0 HG21 ILE A 10 11.457 3.922 3.717 1.00 2.55 H new ATOM 0 HG22 ILE A 10 11.064 2.188 3.787 1.00 2.55 H new ATOM 0 HG23 ILE A 10 9.932 3.384 4.460 1.00 2.55 H new ATOM 0 HD11 ILE A 10 12.501 5.414 8.039 1.00 3.25 H new ATOM 0 HD12 ILE A 10 12.224 3.675 8.294 1.00 3.25 H new ATOM 0 HD13 ILE A 10 13.581 4.221 7.280 1.00 3.25 H new ATOM 151 N ILE A 11 8.613 2.269 6.154 1.00 1.98 N ATOM 152 CA ILE A 11 7.285 2.699 6.555 1.00 1.56 C ATOM 153 C ILE A 11 6.512 1.544 7.182 1.00 1.31 C ATOM 154 O ILE A 11 6.717 1.220 8.354 1.00 1.71 O ATOM 155 CB ILE A 11 6.492 3.296 5.367 1.00 1.37 C ATOM 156 CG1 ILE A 11 7.345 4.316 4.622 1.00 1.94 C ATOM 157 CG2 ILE A 11 5.191 3.925 5.833 1.00 1.05 C ATOM 158 CD1 ILE A 11 6.647 4.964 3.457 1.00 2.05 C ATOM 0 H ILE A 11 8.679 1.888 5.210 1.00 1.98 H new ATOM 0 HA ILE A 11 7.408 3.486 7.299 1.00 1.56 H new ATOM 0 HB ILE A 11 6.242 2.483 4.685 1.00 1.37 H new ATOM 0 HG12 ILE A 11 7.659 5.091 5.321 1.00 1.94 H new ATOM 0 HG13 ILE A 11 8.249 3.825 4.263 1.00 1.94 H new ATOM 0 HG21 ILE A 11 4.658 4.335 4.976 1.00 1.05 H new ATOM 0 HG22 ILE A 11 4.573 3.168 6.316 1.00 1.05 H new ATOM 0 HG23 ILE A 11 5.407 4.724 6.542 1.00 1.05 H new ATOM 0 HD11 ILE A 11 7.320 5.676 2.980 1.00 2.05 H new ATOM 0 HD12 ILE A 11 6.357 4.200 2.736 1.00 2.05 H new ATOM 0 HD13 ILE A 11 5.758 5.486 3.810 1.00 2.05 H new ATOM 170 N ARG A 12 5.620 0.928 6.413 1.00 0.96 N ATOM 171 CA ARG A 12 4.818 -0.179 6.925 1.00 1.02 C ATOM 172 C ARG A 12 4.343 -1.083 5.791 1.00 0.77 C ATOM 173 O ARG A 12 4.428 -0.718 4.616 1.00 0.91 O ATOM 174 CB ARG A 12 3.621 0.383 7.702 1.00 1.53 C ATOM 175 CG ARG A 12 2.910 -0.634 8.591 1.00 2.10 C ATOM 176 CD ARG A 12 1.852 0.023 9.462 1.00 2.67 C ATOM 177 NE ARG A 12 2.445 0.838 10.500 1.00 3.29 N ATOM 178 CZ ARG A 12 1.756 1.676 11.251 1.00 3.98 C ATOM 179 NH1 ARG A 12 0.619 2.178 10.793 1.00 4.30 N ATOM 180 NH2 ARG A 12 2.382 2.309 12.222 1.00 4.72 N ATOM 0 H ARG A 12 5.435 1.173 5.440 1.00 0.96 H new ATOM 0 HA ARG A 12 5.433 -0.783 7.591 1.00 1.02 H new ATOM 0 HB2 ARG A 12 3.963 1.212 8.322 1.00 1.53 H new ATOM 0 HB3 ARG A 12 2.902 0.791 6.992 1.00 1.53 H new ATOM 0 HG2 ARG A 12 2.445 -1.399 7.969 1.00 2.10 H new ATOM 0 HG3 ARG A 12 3.641 -1.138 9.224 1.00 2.10 H new ATOM 0 HD2 ARG A 12 1.202 0.640 8.842 1.00 2.67 H new ATOM 0 HD3 ARG A 12 1.225 -0.745 9.916 1.00 2.67 H new ATOM 0 HE ARG A 12 3.449 0.761 10.660 1.00 3.29 H new ATOM 0 HH11 ARG A 12 0.282 1.916 9.866 1.00 4.30 H new ATOM 0 HH12 ARG A 12 0.080 2.826 11.367 1.00 4.30 H new ATOM 0 HH21 ARG A 12 3.377 2.146 12.379 1.00 4.72 H new ATOM 0 HH22 ARG A 12 1.872 2.962 12.817 1.00 4.72 H new ATOM 194 N HIS A 13 3.832 -2.259 6.135 1.00 0.70 N ATOM 195 CA HIS A 13 3.341 -3.187 5.129 1.00 0.68 C ATOM 196 C HIS A 13 2.289 -4.137 5.715 1.00 0.74 C ATOM 197 O HIS A 13 2.602 -5.236 6.171 1.00 1.04 O ATOM 198 CB HIS A 13 4.501 -3.969 4.490 1.00 0.93 C ATOM 199 CG HIS A 13 5.362 -4.754 5.434 1.00 1.07 C ATOM 200 ND1 HIS A 13 5.420 -4.799 6.788 1.00 1.69 N flip ATOM 201 CD2 HIS A 13 6.306 -5.643 4.987 1.00 1.46 C flip ATOM 202 CE1 HIS A 13 6.383 -5.710 7.124 1.00 1.98 C flip ATOM 203 NE2 HIS A 13 6.900 -6.207 6.018 1.00 1.80 N flip ATOM 0 H HIS A 13 3.748 -2.589 7.096 1.00 0.70 H new ATOM 0 HA HIS A 13 2.858 -2.604 4.345 1.00 0.68 H new ATOM 0 HB2 HIS A 13 4.087 -4.655 3.751 1.00 0.93 H new ATOM 0 HB3 HIS A 13 5.135 -3.265 3.951 1.00 0.93 H new ATOM 0 HD2 HIS A 13 6.528 -5.849 3.950 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.672 -5.978 8.129 1.00 1.98 H new ATOM 0 HE2 HIS A 13 7.637 -6.911 5.969 1.00 1.80 H new ATOM 212 N ASP A 14 1.042 -3.699 5.700 1.00 0.60 N ATOM 213 CA ASP A 14 -0.061 -4.491 6.234 1.00 0.69 C ATOM 214 C ASP A 14 -0.943 -5.018 5.114 1.00 0.61 C ATOM 215 O ASP A 14 -0.853 -4.560 3.980 1.00 0.86 O ATOM 216 CB ASP A 14 -0.871 -3.654 7.233 1.00 0.83 C ATOM 217 CG ASP A 14 -0.140 -3.470 8.553 1.00 1.31 C ATOM 218 OD1 ASP A 14 0.860 -4.182 8.793 1.00 1.78 O ATOM 219 OD2 ASP A 14 -0.565 -2.625 9.362 1.00 2.03 O ATOM 0 H ASP A 14 0.763 -2.794 5.322 1.00 0.60 H new ATOM 0 HA ASP A 14 0.349 -5.354 6.760 1.00 0.69 H new ATOM 0 HB2 ASP A 14 -1.083 -2.677 6.798 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -1.831 -4.137 7.415 1.00 0.83 H new ATOM 224 N ALA A 15 -1.783 -5.997 5.422 1.00 0.75 N ATOM 225 CA ALA A 15 -2.653 -6.584 4.406 1.00 0.71 C ATOM 226 C ALA A 15 -4.057 -5.986 4.440 1.00 0.68 C ATOM 227 O ALA A 15 -4.637 -5.793 5.513 1.00 0.88 O ATOM 228 CB ALA A 15 -2.709 -8.102 4.552 1.00 0.84 C ATOM 0 H ALA A 15 -1.882 -6.399 6.354 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.222 -6.344 3.434 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.363 -8.517 3.785 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.707 -8.516 4.438 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -3.097 -8.359 5.538 1.00 0.84 H new ATOM 234 N PHE A 16 -4.603 -5.683 3.262 1.00 0.60 N ATOM 235 CA PHE A 16 -5.935 -5.090 3.177 1.00 0.67 C ATOM 236 C PHE A 16 -6.863 -5.835 2.219 1.00 0.68 C ATOM 237 O PHE A 16 -6.648 -5.862 1.008 1.00 1.00 O ATOM 238 CB PHE A 16 -5.837 -3.624 2.754 1.00 0.77 C ATOM 239 CG PHE A 16 -5.127 -2.756 3.755 1.00 1.09 C ATOM 240 CD1 PHE A 16 -5.607 -2.633 5.050 1.00 1.83 C ATOM 241 CD2 PHE A 16 -3.975 -2.074 3.405 1.00 1.74 C ATOM 242 CE1 PHE A 16 -4.944 -1.842 5.973 1.00 2.36 C ATOM 243 CE2 PHE A 16 -3.314 -1.284 4.323 1.00 2.26 C ATOM 244 CZ PHE A 16 -3.799 -1.171 5.607 1.00 2.35 C ATOM 0 H PHE A 16 -4.148 -5.837 2.362 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.370 -5.167 4.174 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.315 -3.564 1.799 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -6.842 -3.233 2.594 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -6.505 -3.158 5.341 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -3.588 -2.161 2.400 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -5.325 -1.751 6.980 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -2.418 -0.755 4.035 1.00 2.26 H new ATOM 0 HZ PHE A 16 -3.281 -0.556 6.327 1.00 2.35 H new ATOM 254 N GLN A 17 -7.892 -6.441 2.784 1.00 0.59 N ATOM 255 CA GLN A 17 -8.871 -7.180 2.007 1.00 0.60 C ATOM 256 C GLN A 17 -9.885 -6.193 1.421 1.00 0.64 C ATOM 257 O GLN A 17 -10.637 -5.557 2.160 1.00 0.95 O ATOM 258 CB GLN A 17 -9.548 -8.217 2.905 1.00 0.74 C ATOM 259 CG GLN A 17 -10.657 -9.002 2.233 1.00 1.07 C ATOM 260 CD GLN A 17 -11.275 -10.022 3.163 1.00 1.26 C ATOM 261 OE1 GLN A 17 -11.700 -9.691 4.268 1.00 1.81 O ATOM 262 NE2 GLN A 17 -11.344 -11.267 2.721 1.00 1.63 N ATOM 0 H GLN A 17 -8.072 -6.435 3.788 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.392 -7.709 1.184 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.793 -8.915 3.265 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.957 -7.710 3.779 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -11.428 -8.315 1.886 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -10.261 -9.508 1.353 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -10.980 -11.501 1.798 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -11.762 -11.993 3.304 1.00 1.63 H new ATOM 271 N VAL A 18 -9.876 -6.025 0.102 1.00 0.51 N ATOM 272 CA VAL A 18 -10.773 -5.063 -0.535 1.00 0.59 C ATOM 273 C VAL A 18 -11.430 -5.616 -1.795 1.00 0.60 C ATOM 274 O VAL A 18 -11.691 -6.806 -1.905 1.00 1.04 O ATOM 275 CB VAL A 18 -10.030 -3.774 -0.923 1.00 0.83 C ATOM 276 CG1 VAL A 18 -10.841 -2.544 -0.511 1.00 1.24 C ATOM 277 CG2 VAL A 18 -8.638 -3.740 -0.311 1.00 0.84 C ATOM 0 H VAL A 18 -9.268 -6.534 -0.540 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.543 -4.852 0.208 1.00 0.59 H new ATOM 0 HB VAL A 18 -9.915 -3.760 -2.007 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -10.300 -1.641 -0.793 1.00 1.24 H new ATOM 0 HG12 VAL A 18 -11.808 -2.560 -1.014 1.00 1.24 H new ATOM 0 HG13 VAL A 18 -10.993 -2.553 0.568 1.00 1.24 H new ATOM 0 HG21 VAL A 18 -8.135 -2.818 -0.602 1.00 0.84 H new ATOM 0 HG22 VAL A 18 -8.717 -3.783 0.775 1.00 0.84 H new ATOM 0 HG23 VAL A 18 -8.063 -4.595 -0.667 1.00 0.84 H new ATOM 287 N TRP A 19 -11.706 -4.717 -2.735 1.00 0.63 N ATOM 288 CA TRP A 19 -12.348 -5.065 -3.991 1.00 0.65 C ATOM 289 C TRP A 19 -11.377 -4.908 -5.149 1.00 0.68 C ATOM 290 O TRP A 19 -11.291 -5.767 -6.027 1.00 1.04 O ATOM 291 CB TRP A 19 -13.559 -4.161 -4.166 1.00 0.72 C ATOM 292 CG TRP A 19 -14.596 -4.412 -3.126 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.501 -5.424 -3.121 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.826 -3.656 -1.924 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.288 -5.351 -2.009 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.910 -4.261 -1.264 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.236 -2.519 -1.347 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.422 -3.773 -0.066 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.747 -2.039 -0.156 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.834 -2.661 0.467 1.00 0.96 C ATOM 0 H TRP A 19 -11.489 -3.725 -2.643 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.665 -6.108 -3.977 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.243 -3.119 -4.120 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -13.990 -4.320 -5.154 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.586 -6.179 -3.888 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -17.037 -6.001 -1.770 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.400 -2.030 -1.825 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.254 -4.256 0.425 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.300 -1.169 0.301 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.217 -2.253 1.391 1.00 0.96 H new ATOM 311 N GLU A 20 -10.648 -3.805 -5.107 1.00 0.69 N ATOM 312 CA GLU A 20 -9.633 -3.462 -6.110 1.00 0.77 C ATOM 313 C GLU A 20 -10.257 -3.115 -7.465 1.00 1.18 C ATOM 314 O GLU A 20 -10.226 -3.908 -8.404 1.00 1.81 O ATOM 315 CB GLU A 20 -8.629 -4.603 -6.275 1.00 1.04 C ATOM 316 CG GLU A 20 -8.073 -5.101 -4.964 1.00 1.26 C ATOM 317 CD GLU A 20 -7.827 -6.589 -4.999 1.00 1.90 C ATOM 318 OE1 GLU A 20 -7.980 -7.192 -6.082 1.00 2.62 O ATOM 319 OE2 GLU A 20 -7.478 -7.170 -3.956 1.00 2.42 O ATOM 0 H GLU A 20 -10.740 -3.108 -4.368 1.00 0.69 H new ATOM 0 HA GLU A 20 -9.113 -2.576 -5.746 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.112 -5.430 -6.795 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -7.807 -4.266 -6.906 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -7.141 -4.582 -4.742 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -8.769 -4.865 -4.159 1.00 1.26 H new ATOM 326 N GLY A 21 -10.798 -1.908 -7.565 1.00 1.49 N ATOM 327 CA GLY A 21 -11.397 -1.456 -8.814 1.00 1.95 C ATOM 328 C GLY A 21 -12.721 -2.116 -9.125 1.00 2.05 C ATOM 329 O GLY A 21 -13.515 -2.385 -8.219 1.00 2.48 O ATOM 0 H GLY A 21 -10.835 -1.230 -6.804 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -11.541 -0.376 -8.768 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -10.703 -1.651 -9.631 1.00 1.95 H new ATOM 333 N ASP A 22 -12.955 -2.372 -10.404 1.00 2.34 N ATOM 334 CA ASP A 22 -14.185 -3.005 -10.855 1.00 2.75 C ATOM 335 C ASP A 22 -13.984 -4.513 -10.900 1.00 2.43 C ATOM 336 O ASP A 22 -14.281 -5.173 -11.894 1.00 2.85 O ATOM 337 CB ASP A 22 -14.598 -2.470 -12.233 1.00 3.62 C ATOM 338 CG ASP A 22 -15.035 -1.017 -12.191 1.00 4.19 C ATOM 339 OD1 ASP A 22 -14.180 -0.135 -11.958 1.00 4.65 O ATOM 340 OD2 ASP A 22 -16.240 -0.747 -12.385 1.00 4.60 O ATOM 0 H ASP A 22 -12.301 -2.148 -11.154 1.00 2.34 H new ATOM 0 HA ASP A 22 -14.987 -2.770 -10.156 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -13.761 -2.574 -12.924 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -15.413 -3.079 -12.625 1.00 3.62 H new ATOM 345 N GLU A 23 -13.464 -5.039 -9.803 1.00 2.07 N ATOM 346 CA GLU A 23 -13.195 -6.456 -9.669 1.00 2.37 C ATOM 347 C GLU A 23 -13.887 -6.992 -8.423 1.00 1.70 C ATOM 348 O GLU A 23 -14.185 -6.226 -7.504 1.00 1.86 O ATOM 349 CB GLU A 23 -11.690 -6.703 -9.538 1.00 3.34 C ATOM 350 CG GLU A 23 -10.867 -6.263 -10.735 1.00 4.22 C ATOM 351 CD GLU A 23 -9.413 -6.644 -10.573 1.00 5.12 C ATOM 352 OE1 GLU A 23 -9.077 -7.310 -9.566 1.00 5.52 O ATOM 353 OE2 GLU A 23 -8.595 -6.287 -11.445 1.00 5.78 O ATOM 0 H GLU A 23 -13.217 -4.491 -8.979 1.00 2.07 H new ATOM 0 HA GLU A 23 -13.570 -6.965 -10.557 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -11.326 -6.181 -8.653 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -11.524 -7.767 -9.372 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -11.266 -6.720 -11.641 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -10.950 -5.183 -10.859 1.00 4.22 H new ATOM 360 N PRO A 24 -14.121 -8.312 -8.360 1.00 1.42 N ATOM 361 CA PRO A 24 -14.741 -8.943 -7.193 1.00 1.17 C ATOM 362 C PRO A 24 -13.846 -8.768 -5.973 1.00 0.97 C ATOM 363 O PRO A 24 -12.646 -8.515 -6.127 1.00 1.08 O ATOM 364 CB PRO A 24 -14.840 -10.430 -7.588 1.00 1.65 C ATOM 365 CG PRO A 24 -14.649 -10.467 -9.071 1.00 2.09 C ATOM 366 CD PRO A 24 -13.772 -9.296 -9.395 1.00 2.00 C ATOM 0 HA PRO A 24 -15.710 -8.515 -6.935 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.079 -11.022 -7.080 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.807 -10.846 -7.307 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -14.185 -11.402 -9.383 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.604 -10.397 -9.591 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -12.716 -9.562 -9.356 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -13.968 -8.912 -10.396 1.00 2.00 H new ATOM 374 N PRO A 25 -14.394 -8.884 -4.746 1.00 0.88 N ATOM 375 CA PRO A 25 -13.604 -8.716 -3.525 1.00 0.77 C ATOM 376 C PRO A 25 -12.429 -9.690 -3.463 1.00 0.74 C ATOM 377 O PRO A 25 -12.572 -10.887 -3.722 1.00 0.92 O ATOM 378 CB PRO A 25 -14.617 -8.943 -2.394 1.00 0.92 C ATOM 379 CG PRO A 25 -15.957 -8.737 -3.028 1.00 1.08 C ATOM 380 CD PRO A 25 -15.812 -9.186 -4.451 1.00 1.09 C ATOM 0 HA PRO A 25 -13.135 -7.734 -3.463 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -14.527 -9.947 -1.979 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -14.456 -8.243 -1.574 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -16.725 -9.313 -2.513 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -16.256 -7.690 -2.977 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -16.032 -10.248 -4.565 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -16.487 -8.648 -5.116 1.00 1.09 H new ATOM 388 N LYS A 26 -11.264 -9.147 -3.150 1.00 0.65 N ATOM 389 CA LYS A 26 -10.045 -9.915 -3.072 1.00 0.73 C ATOM 390 C LYS A 26 -9.217 -9.508 -1.852 1.00 0.66 C ATOM 391 O LYS A 26 -9.770 -9.088 -0.837 1.00 0.88 O ATOM 392 CB LYS A 26 -9.263 -9.721 -4.361 1.00 0.95 C ATOM 393 CG LYS A 26 -9.386 -10.886 -5.324 1.00 1.34 C ATOM 394 CD LYS A 26 -8.852 -10.549 -6.709 1.00 1.42 C ATOM 395 CE LYS A 26 -9.873 -9.807 -7.566 1.00 1.61 C ATOM 396 NZ LYS A 26 -10.039 -8.387 -7.160 1.00 2.20 N ATOM 0 H LYS A 26 -11.143 -8.156 -2.943 1.00 0.65 H new ATOM 0 HA LYS A 26 -10.286 -10.971 -2.953 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -9.611 -8.814 -4.855 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -8.211 -9.569 -4.119 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -8.842 -11.743 -4.926 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.432 -11.181 -5.402 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.954 -9.939 -6.610 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -8.558 -11.469 -7.215 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -9.563 -9.848 -8.610 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -10.835 -10.315 -7.499 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -10.974 -8.258 -6.723 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -9.299 -8.133 -6.475 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -9.960 -7.775 -7.997 1.00 2.20 H new ATOM 410 N LEU A 27 -7.905 -9.618 -1.968 1.00 0.67 N ATOM 411 CA LEU A 27 -6.996 -9.260 -0.879 1.00 0.65 C ATOM 412 C LEU A 27 -5.674 -8.765 -1.455 1.00 0.67 C ATOM 413 O LEU A 27 -5.234 -9.265 -2.488 1.00 1.02 O ATOM 414 CB LEU A 27 -6.756 -10.488 0.004 1.00 0.76 C ATOM 415 CG LEU A 27 -6.746 -10.230 1.519 1.00 0.93 C ATOM 416 CD1 LEU A 27 -6.678 -11.542 2.278 1.00 1.23 C ATOM 417 CD2 LEU A 27 -5.586 -9.338 1.927 1.00 1.31 C ATOM 0 H LEU A 27 -7.437 -9.954 -2.810 1.00 0.67 H new ATOM 0 HA LEU A 27 -7.439 -8.465 -0.279 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.528 -11.226 -0.215 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -5.801 -10.933 -0.276 1.00 0.76 H new ATOM 0 HG LEU A 27 -7.673 -9.715 1.770 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -6.672 -11.343 3.350 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -7.546 -12.153 2.028 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -5.768 -12.075 2.003 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -5.612 -9.178 3.005 1.00 1.31 H new ATOM 0 HD22 LEU A 27 -4.646 -9.816 1.654 1.00 1.31 H new ATOM 0 HD23 LEU A 27 -5.667 -8.379 1.416 1.00 1.31 H new ATOM 429 N ARG A 28 -5.044 -7.789 -0.801 1.00 0.57 N ATOM 430 CA ARG A 28 -3.770 -7.246 -1.269 1.00 0.59 C ATOM 431 C ARG A 28 -2.909 -6.760 -0.100 1.00 0.55 C ATOM 432 O ARG A 28 -3.299 -5.820 0.592 1.00 0.64 O ATOM 433 CB ARG A 28 -4.011 -6.058 -2.215 1.00 0.71 C ATOM 434 CG ARG A 28 -4.599 -6.419 -3.583 1.00 1.41 C ATOM 435 CD ARG A 28 -3.569 -7.112 -4.471 1.00 1.72 C ATOM 436 NE ARG A 28 -4.044 -7.376 -5.838 1.00 1.97 N ATOM 437 CZ ARG A 28 -4.947 -8.305 -6.151 1.00 2.42 C ATOM 438 NH1 ARG A 28 -5.665 -8.873 -5.201 1.00 2.77 N ATOM 439 NH2 ARG A 28 -5.316 -8.458 -7.409 1.00 3.18 N ATOM 0 H ARG A 28 -5.396 -7.359 0.054 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.250 -8.048 -1.792 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -4.683 -5.354 -1.724 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -3.064 -5.540 -2.370 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -5.462 -7.071 -3.448 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.956 -5.515 -4.076 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -2.672 -6.494 -4.521 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -3.281 -8.056 -4.008 1.00 1.72 H new ATOM 0 HE ARG A 28 -3.658 -6.812 -6.595 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -5.529 -8.601 -4.227 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -6.356 -9.584 -5.440 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -4.911 -7.867 -8.135 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -6.007 -9.167 -7.655 1.00 3.18 H new ATOM 453 N TYR A 29 -1.722 -7.343 0.104 1.00 0.55 N ATOM 454 CA TYR A 29 -0.858 -6.832 1.167 1.00 0.59 C ATOM 455 C TYR A 29 -0.266 -5.540 0.631 1.00 0.55 C ATOM 456 O TYR A 29 0.309 -5.545 -0.458 1.00 0.70 O ATOM 457 CB TYR A 29 0.324 -7.730 1.574 1.00 0.71 C ATOM 458 CG TYR A 29 0.168 -9.233 1.512 1.00 0.77 C ATOM 459 CD1 TYR A 29 0.216 -9.915 0.307 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.047 -9.973 2.678 1.00 1.46 C ATOM 461 CE1 TYR A 29 0.148 -11.292 0.257 1.00 1.55 C ATOM 462 CE2 TYR A 29 -0.038 -11.356 2.641 1.00 1.63 C ATOM 463 CZ TYR A 29 0.019 -12.010 1.419 1.00 1.26 C ATOM 464 OH TYR A 29 -0.030 -13.389 1.348 1.00 1.58 O ATOM 0 H TYR A 29 -1.352 -8.132 -0.426 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.478 -6.742 2.059 1.00 0.59 H new ATOM 0 HB2 TYR A 29 1.171 -7.462 0.943 1.00 0.71 H new ATOM 0 HB3 TYR A 29 0.595 -7.471 2.597 1.00 0.71 H new ATOM 0 HD1 TYR A 29 0.309 -9.357 -0.613 1.00 1.38 H new ATOM 0 HD2 TYR A 29 0.019 -9.464 3.630 1.00 1.46 H new ATOM 0 HE1 TYR A 29 0.196 -11.803 -0.693 1.00 1.55 H new ATOM 0 HE2 TYR A 29 -0.148 -11.920 3.556 1.00 1.63 H new ATOM 0 HH TYR A 29 -0.122 -13.760 2.250 1.00 1.58 H new ATOM 474 N VAL A 30 -0.424 -4.447 1.347 1.00 0.48 N ATOM 475 CA VAL A 30 0.080 -3.155 0.895 1.00 0.48 C ATOM 476 C VAL A 30 1.353 -2.772 1.635 1.00 0.49 C ATOM 477 O VAL A 30 1.334 -2.537 2.840 1.00 0.59 O ATOM 478 CB VAL A 30 -0.994 -2.063 1.084 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.504 -0.721 0.559 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.281 -2.482 0.392 1.00 0.65 C ATOM 0 H VAL A 30 -0.899 -4.421 2.249 1.00 0.48 H new ATOM 0 HA VAL A 30 0.316 -3.240 -0.166 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.192 -1.946 2.149 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.279 0.031 0.704 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.395 -0.425 1.100 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.276 -0.807 -0.503 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.036 -1.708 0.528 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.093 -2.622 -0.672 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.638 -3.417 0.823 1.00 0.65 H new ATOM 490 N PHE A 31 2.457 -2.723 0.894 1.00 0.49 N ATOM 491 CA PHE A 31 3.766 -2.385 1.441 1.00 0.54 C ATOM 492 C PHE A 31 4.218 -1.013 0.959 1.00 0.52 C ATOM 493 O PHE A 31 4.433 -0.809 -0.243 1.00 0.56 O ATOM 494 CB PHE A 31 4.834 -3.411 0.998 1.00 0.61 C ATOM 495 CG PHE A 31 4.344 -4.804 0.738 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.858 -5.594 1.762 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.398 -5.333 -0.542 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.435 -6.879 1.515 1.00 1.30 C ATOM 499 CE2 PHE A 31 3.973 -6.618 -0.795 1.00 1.49 C ATOM 500 CZ PHE A 31 3.489 -7.394 0.234 1.00 0.85 C ATOM 0 H PHE A 31 2.468 -2.918 -0.107 1.00 0.49 H new ATOM 0 HA PHE A 31 3.666 -2.391 2.526 1.00 0.54 H new ATOM 0 HB2 PHE A 31 5.310 -3.040 0.090 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.605 -3.457 1.767 1.00 0.61 H new ATOM 0 HD1 PHE A 31 3.810 -5.199 2.766 1.00 1.22 H new ATOM 0 HD2 PHE A 31 4.779 -4.729 -1.352 1.00 1.44 H new ATOM 0 HE1 PHE A 31 3.060 -7.487 2.325 1.00 1.30 H new ATOM 0 HE2 PHE A 31 4.019 -7.016 -1.798 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.153 -8.402 0.041 1.00 0.85 H new ATOM 510 N LEU A 32 4.403 -0.085 1.878 1.00 0.57 N ATOM 511 CA LEU A 32 4.873 1.228 1.493 1.00 0.59 C ATOM 512 C LEU A 32 6.312 1.431 1.930 1.00 0.67 C ATOM 513 O LEU A 32 6.674 1.170 3.084 1.00 0.84 O ATOM 514 CB LEU A 32 4.035 2.368 2.061 1.00 0.74 C ATOM 515 CG LEU A 32 2.744 1.988 2.782 1.00 0.98 C ATOM 516 CD1 LEU A 32 2.286 3.128 3.661 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.650 1.651 1.790 1.00 1.43 C ATOM 0 H LEU A 32 4.239 -0.213 2.877 1.00 0.57 H new ATOM 0 HA LEU A 32 4.787 1.259 0.407 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.657 2.932 2.756 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.780 3.041 1.243 1.00 0.74 H new ATOM 0 HG LEU A 32 2.946 1.110 3.395 1.00 0.98 H new ATOM 0 HD11 LEU A 32 1.364 2.847 4.171 1.00 1.10 H new ATOM 0 HD12 LEU A 32 3.056 3.350 4.400 1.00 1.10 H new ATOM 0 HD13 LEU A 32 2.106 4.011 3.048 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.741 1.384 2.328 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.455 2.516 1.156 1.00 1.43 H new ATOM 0 HD23 LEU A 32 1.966 0.811 1.171 1.00 1.43 H new ATOM 529 N PHE A 33 7.126 1.927 1.018 1.00 0.75 N ATOM 530 CA PHE A 33 8.523 2.201 1.314 1.00 0.96 C ATOM 531 C PHE A 33 8.865 3.591 0.817 1.00 1.08 C ATOM 532 O PHE A 33 8.017 4.257 0.236 1.00 1.56 O ATOM 533 CB PHE A 33 9.453 1.173 0.661 1.00 1.17 C ATOM 534 CG PHE A 33 9.125 -0.261 0.991 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.175 -0.957 0.258 1.00 1.79 C ATOM 536 CD2 PHE A 33 9.764 -0.911 2.036 1.00 2.01 C ATOM 537 CE1 PHE A 33 7.870 -2.273 0.557 1.00 2.06 C ATOM 538 CE2 PHE A 33 9.460 -2.228 2.342 1.00 2.28 C ATOM 539 CZ PHE A 33 8.512 -2.909 1.600 1.00 2.01 C ATOM 0 H PHE A 33 6.845 2.150 0.063 1.00 0.75 H new ATOM 0 HA PHE A 33 8.667 2.136 2.392 1.00 0.96 H new ATOM 0 HB2 PHE A 33 9.415 1.302 -0.421 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.477 1.379 0.971 1.00 1.17 H new ATOM 0 HD1 PHE A 33 7.666 -0.465 -0.558 1.00 1.79 H new ATOM 0 HD2 PHE A 33 10.507 -0.385 2.618 1.00 2.01 H new ATOM 0 HE1 PHE A 33 7.130 -2.802 -0.025 1.00 2.06 H new ATOM 0 HE2 PHE A 33 9.963 -2.723 3.160 1.00 2.28 H new ATOM 0 HZ PHE A 33 8.275 -3.936 1.836 1.00 2.01 H new ATOM 549 N ARG A 34 10.092 4.032 1.011 1.00 1.04 N ATOM 550 CA ARG A 34 10.463 5.344 0.536 1.00 1.17 C ATOM 551 C ARG A 34 10.822 5.256 -0.946 1.00 1.03 C ATOM 552 O ARG A 34 11.936 5.571 -1.366 1.00 1.87 O ATOM 553 CB ARG A 34 11.602 5.915 1.368 1.00 1.83 C ATOM 554 CG ARG A 34 11.762 7.416 1.205 1.00 2.51 C ATOM 555 CD ARG A 34 13.033 7.758 0.443 1.00 3.05 C ATOM 556 NE ARG A 34 12.835 8.855 -0.517 1.00 3.66 N ATOM 557 CZ ARG A 34 13.820 9.482 -1.159 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.076 9.114 -0.966 1.00 4.48 N ATOM 559 NH2 ARG A 34 13.538 10.451 -2.018 1.00 5.12 N ATOM 0 H ARG A 34 10.832 3.513 1.483 1.00 1.04 H new ATOM 0 HA ARG A 34 9.622 6.028 0.645 1.00 1.17 H new ATOM 0 HB2 ARG A 34 11.427 5.686 2.419 1.00 1.83 H new ATOM 0 HB3 ARG A 34 12.533 5.423 1.085 1.00 1.83 H new ATOM 0 HG2 ARG A 34 10.899 7.820 0.676 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.785 7.890 2.186 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.814 8.035 1.151 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.384 6.873 -0.088 1.00 3.05 H new ATOM 0 HE ARG A 34 11.879 9.156 -0.704 1.00 3.66 H new ATOM 0 HH11 ARG A 34 15.291 8.350 -0.325 1.00 4.48 H new ATOM 0 HH12 ARG A 34 15.830 9.594 -1.458 1.00 4.48 H new ATOM 0 HH21 ARG A 34 12.568 10.716 -2.187 1.00 5.12 H new ATOM 0 HH22 ARG A 34 14.291 10.932 -2.510 1.00 5.12 H new ATOM 573 N ASN A 35 9.841 4.803 -1.714 1.00 0.98 N ATOM 574 CA ASN A 35 9.952 4.634 -3.152 1.00 1.38 C ATOM 575 C ASN A 35 8.561 4.684 -3.755 1.00 1.09 C ATOM 576 O ASN A 35 8.214 5.632 -4.454 1.00 1.24 O ATOM 577 CB ASN A 35 10.618 3.300 -3.523 1.00 2.08 C ATOM 578 CG ASN A 35 12.128 3.302 -3.364 1.00 2.84 C ATOM 579 OD1 ASN A 35 12.832 4.119 -3.960 1.00 3.26 O ATOM 580 ND2 ASN A 35 12.638 2.370 -2.570 1.00 3.64 N ATOM 0 H ASN A 35 8.928 4.538 -1.345 1.00 0.98 H new ATOM 0 HA ASN A 35 10.577 5.436 -3.544 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.198 2.510 -2.901 1.00 2.08 H new ATOM 0 HB3 ASN A 35 10.371 3.057 -4.557 1.00 2.08 H new ATOM 0 HD21 ASN A 35 13.647 2.311 -2.435 1.00 3.64 H new ATOM 0 HD22 ASN A 35 12.021 1.712 -2.094 1.00 3.64 H new ATOM 587 N LYS A 36 7.767 3.652 -3.469 1.00 0.89 N ATOM 588 CA LYS A 36 6.401 3.562 -3.975 1.00 0.69 C ATOM 589 C LYS A 36 5.502 2.790 -3.001 1.00 0.66 C ATOM 590 O LYS A 36 5.779 2.730 -1.801 1.00 0.77 O ATOM 591 CB LYS A 36 6.413 2.910 -5.360 1.00 0.80 C ATOM 592 CG LYS A 36 6.998 1.513 -5.382 1.00 1.05 C ATOM 593 CD LYS A 36 7.131 1.009 -6.814 1.00 1.32 C ATOM 594 CE LYS A 36 8.091 1.862 -7.641 1.00 1.84 C ATOM 595 NZ LYS A 36 8.258 1.338 -9.027 1.00 2.23 N ATOM 0 H LYS A 36 8.050 2.864 -2.886 1.00 0.89 H new ATOM 0 HA LYS A 36 5.987 4.566 -4.064 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.392 2.871 -5.740 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.983 3.541 -6.042 1.00 0.80 H new ATOM 0 HG2 LYS A 36 7.975 1.515 -4.899 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.361 0.837 -4.811 1.00 1.05 H new ATOM 0 HD2 LYS A 36 7.483 -0.023 -6.803 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.150 1.006 -7.289 1.00 1.32 H new ATOM 0 HE2 LYS A 36 7.720 2.886 -7.684 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.062 1.895 -7.147 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 8.917 1.948 -9.551 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.637 0.370 -8.989 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.336 1.330 -9.509 1.00 2.23 H new ATOM 609 N ILE A 37 4.446 2.171 -3.517 1.00 0.61 N ATOM 610 CA ILE A 37 3.532 1.388 -2.697 1.00 0.60 C ATOM 611 C ILE A 37 3.217 0.093 -3.424 1.00 0.54 C ATOM 612 O ILE A 37 2.422 0.082 -4.358 1.00 0.75 O ATOM 613 CB ILE A 37 2.207 2.142 -2.405 1.00 0.73 C ATOM 614 CG1 ILE A 37 2.484 3.449 -1.653 1.00 0.85 C ATOM 615 CG2 ILE A 37 1.244 1.263 -1.608 1.00 0.79 C ATOM 616 CD1 ILE A 37 1.230 4.243 -1.320 1.00 1.01 C ATOM 0 H ILE A 37 4.202 2.198 -4.507 1.00 0.61 H new ATOM 0 HA ILE A 37 4.018 1.197 -1.740 1.00 0.60 H new ATOM 0 HB ILE A 37 1.739 2.383 -3.359 1.00 0.73 H new ATOM 0 HG12 ILE A 37 3.014 3.220 -0.728 1.00 0.85 H new ATOM 0 HG13 ILE A 37 3.147 4.070 -2.255 1.00 0.85 H new ATOM 0 HG21 ILE A 37 0.323 1.814 -1.416 1.00 0.79 H new ATOM 0 HG22 ILE A 37 1.016 0.363 -2.179 1.00 0.79 H new ATOM 0 HG23 ILE A 37 1.705 0.985 -0.660 1.00 0.79 H new ATOM 0 HD11 ILE A 37 1.506 5.154 -0.789 1.00 1.01 H new ATOM 0 HD12 ILE A 37 0.709 4.504 -2.241 1.00 1.01 H new ATOM 0 HD13 ILE A 37 0.574 3.641 -0.691 1.00 1.01 H new ATOM 628 N MET A 38 3.855 -0.988 -3.022 1.00 0.51 N ATOM 629 CA MET A 38 3.634 -2.270 -3.673 1.00 0.59 C ATOM 630 C MET A 38 2.541 -3.042 -2.955 1.00 0.60 C ATOM 631 O MET A 38 2.483 -3.049 -1.731 1.00 0.98 O ATOM 632 CB MET A 38 4.935 -3.081 -3.690 1.00 0.75 C ATOM 633 CG MET A 38 4.913 -4.290 -4.617 1.00 1.40 C ATOM 634 SD MET A 38 6.539 -5.055 -4.804 1.00 1.72 S ATOM 635 CE MET A 38 6.171 -6.355 -5.984 1.00 2.53 C ATOM 0 H MET A 38 4.526 -1.008 -2.254 1.00 0.51 H new ATOM 0 HA MET A 38 3.317 -2.094 -4.701 1.00 0.59 H new ATOM 0 HB2 MET A 38 5.753 -2.425 -3.988 1.00 0.75 H new ATOM 0 HB3 MET A 38 5.151 -3.420 -2.677 1.00 0.75 H new ATOM 0 HG2 MET A 38 4.211 -5.028 -4.228 1.00 1.40 H new ATOM 0 HG3 MET A 38 4.545 -3.985 -5.597 1.00 1.40 H new ATOM 0 HE1 MET A 38 7.079 -6.917 -6.201 1.00 2.53 H new ATOM 0 HE2 MET A 38 5.420 -7.025 -5.565 1.00 2.53 H new ATOM 0 HE3 MET A 38 5.789 -5.913 -6.905 1.00 2.53 H new ATOM 645 N PHE A 39 1.669 -3.679 -3.720 1.00 0.61 N ATOM 646 CA PHE A 39 0.577 -4.444 -3.145 1.00 0.71 C ATOM 647 C PHE A 39 0.182 -5.600 -4.048 1.00 0.72 C ATOM 648 O PHE A 39 0.033 -5.429 -5.258 1.00 1.08 O ATOM 649 CB PHE A 39 -0.644 -3.545 -2.923 1.00 1.11 C ATOM 650 CG PHE A 39 -1.341 -3.136 -4.194 1.00 0.58 C ATOM 651 CD1 PHE A 39 -0.705 -2.326 -5.118 1.00 1.31 C ATOM 652 CD2 PHE A 39 -2.631 -3.567 -4.463 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.337 -1.953 -6.286 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.270 -3.197 -5.631 1.00 1.66 C ATOM 655 CZ PHE A 39 -2.622 -2.387 -6.546 1.00 1.57 C ATOM 0 H PHE A 39 1.697 -3.681 -4.740 1.00 0.61 H new ATOM 0 HA PHE A 39 0.921 -4.842 -2.190 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.355 -4.067 -2.282 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -0.330 -2.649 -2.388 1.00 1.11 H new ATOM 0 HD1 PHE A 39 0.300 -1.981 -4.922 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.142 -4.199 -3.752 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -0.827 -1.321 -6.998 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.275 -3.540 -5.829 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.119 -2.095 -7.460 1.00 1.57 H new ATOM 665 N THR A 40 -0.008 -6.770 -3.455 1.00 0.63 N ATOM 666 CA THR A 40 -0.416 -7.945 -4.210 1.00 0.74 C ATOM 667 C THR A 40 -0.702 -9.133 -3.300 1.00 0.84 C ATOM 668 O THR A 40 0.150 -9.560 -2.522 1.00 1.16 O ATOM 669 CB THR A 40 0.630 -8.326 -5.265 1.00 0.98 C ATOM 670 OG1 THR A 40 0.231 -9.494 -5.961 1.00 1.45 O ATOM 671 CG2 THR A 40 2.021 -8.561 -4.706 1.00 1.35 C ATOM 0 H THR A 40 0.114 -6.930 -2.455 1.00 0.63 H new ATOM 0 HA THR A 40 -1.342 -7.681 -4.722 1.00 0.74 H new ATOM 0 HB THR A 40 0.685 -7.465 -5.931 1.00 0.98 H new ATOM 0 HG1 THR A 40 0.991 -9.848 -6.468 1.00 1.45 H new ATOM 0 HG21 THR A 40 2.699 -8.826 -5.517 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.375 -7.653 -4.218 1.00 1.35 H new ATOM 0 HG23 THR A 40 1.989 -9.374 -3.980 1.00 1.35 H new ATOM 679 N GLU A 41 -1.905 -9.670 -3.442 1.00 1.04 N ATOM 680 CA GLU A 41 -2.356 -10.832 -2.693 1.00 1.27 C ATOM 681 C GLU A 41 -3.551 -11.438 -3.423 1.00 1.20 C ATOM 682 O GLU A 41 -3.992 -10.903 -4.439 1.00 1.66 O ATOM 683 CB GLU A 41 -2.723 -10.488 -1.245 1.00 1.89 C ATOM 684 CG GLU A 41 -3.015 -11.726 -0.396 1.00 2.55 C ATOM 685 CD GLU A 41 -3.142 -11.455 1.087 1.00 3.05 C ATOM 686 OE1 GLU A 41 -2.873 -10.320 1.515 1.00 3.46 O ATOM 687 OE2 GLU A 41 -3.487 -12.404 1.827 1.00 3.56 O ATOM 0 H GLU A 41 -2.604 -9.306 -4.089 1.00 1.04 H new ATOM 0 HA GLU A 41 -1.538 -11.551 -2.637 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -1.906 -9.927 -0.792 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -3.597 -9.837 -1.242 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -3.939 -12.183 -0.749 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -2.219 -12.454 -0.552 1.00 2.55 H new ATOM 694 N GLN A 42 -4.044 -12.557 -2.932 1.00 1.08 N ATOM 695 CA GLN A 42 -5.149 -13.247 -3.549 1.00 1.24 C ATOM 696 C GLN A 42 -6.200 -13.575 -2.527 1.00 1.37 C ATOM 697 O GLN A 42 -5.889 -13.848 -1.369 1.00 1.84 O ATOM 698 CB GLN A 42 -4.630 -14.527 -4.152 1.00 1.58 C ATOM 699 CG GLN A 42 -5.145 -14.842 -5.535 1.00 2.34 C ATOM 700 CD GLN A 42 -6.655 -14.843 -5.609 1.00 2.87 C ATOM 701 OE1 GLN A 42 -7.283 -13.796 -5.768 1.00 3.26 O ATOM 702 NE2 GLN A 42 -7.261 -16.009 -5.442 1.00 3.46 N ATOM 0 H GLN A 42 -3.686 -13.011 -2.092 1.00 1.08 H new ATOM 0 HA GLN A 42 -5.593 -12.611 -4.314 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -3.542 -14.477 -4.190 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.888 -15.353 -3.489 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -4.751 -14.110 -6.240 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -4.769 -15.817 -5.845 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -6.709 -16.857 -5.313 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -8.280 -16.059 -5.443 1.00 3.46 H new ATOM 711 N ASP A 43 -7.422 -13.571 -2.975 1.00 1.32 N ATOM 712 CA ASP A 43 -8.551 -13.899 -2.123 1.00 1.60 C ATOM 713 C ASP A 43 -9.736 -14.371 -2.951 1.00 1.62 C ATOM 714 O ASP A 43 -10.321 -13.581 -3.695 1.00 1.97 O ATOM 715 CB ASP A 43 -8.965 -12.703 -1.273 1.00 2.08 C ATOM 716 CG ASP A 43 -9.940 -13.085 -0.177 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.951 -14.265 0.226 1.00 2.87 O ATOM 718 OD2 ASP A 43 -10.677 -12.206 0.310 1.00 2.96 O ATOM 0 H ASP A 43 -7.674 -13.342 -3.937 1.00 1.32 H new ATOM 0 HA ASP A 43 -8.236 -14.706 -1.462 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -8.078 -12.253 -0.827 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -9.419 -11.946 -1.912 1.00 2.08 H new ATOM 723 N ALA A 44 -10.095 -15.648 -2.811 1.00 1.87 N ATOM 724 CA ALA A 44 -11.231 -16.232 -3.531 1.00 2.28 C ATOM 725 C ALA A 44 -11.098 -16.075 -5.043 1.00 2.75 C ATOM 726 O ALA A 44 -10.029 -15.721 -5.545 1.00 3.39 O ATOM 727 CB ALA A 44 -12.535 -15.615 -3.041 1.00 2.82 C ATOM 0 H ALA A 44 -9.610 -16.305 -2.199 1.00 1.87 H new ATOM 0 HA ALA A 44 -11.238 -17.301 -3.321 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -13.372 -16.056 -3.582 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -12.651 -15.808 -1.974 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -12.517 -14.539 -3.215 1.00 2.82 H new ATOM 733 N SER A 45 -12.194 -16.343 -5.757 1.00 3.20 N ATOM 734 CA SER A 45 -12.247 -16.242 -7.217 1.00 4.25 C ATOM 735 C SER A 45 -11.340 -17.286 -7.886 1.00 4.77 C ATOM 736 O SER A 45 -11.821 -18.224 -8.520 1.00 5.30 O ATOM 737 CB SER A 45 -11.887 -14.821 -7.674 1.00 4.93 C ATOM 738 OG SER A 45 -12.714 -13.852 -7.034 1.00 5.22 O ATOM 0 H SER A 45 -13.075 -16.638 -5.336 1.00 3.20 H new ATOM 0 HA SER A 45 -13.270 -16.452 -7.530 1.00 4.25 H new ATOM 0 HB2 SER A 45 -10.840 -14.617 -7.448 1.00 4.93 H new ATOM 0 HB3 SER A 45 -12.000 -14.744 -8.755 1.00 4.93 H new ATOM 0 HG SER A 45 -12.464 -12.955 -7.340 1.00 5.22 H new ATOM 744 N THR A 46 -10.037 -17.126 -7.724 1.00 5.00 N ATOM 745 CA THR A 46 -9.068 -18.047 -8.298 1.00 5.82 C ATOM 746 C THR A 46 -8.640 -19.092 -7.263 1.00 5.62 C ATOM 747 O THR A 46 -7.475 -19.464 -7.170 1.00 5.88 O ATOM 748 CB THR A 46 -7.874 -17.268 -8.858 1.00 6.59 C ATOM 749 OG1 THR A 46 -7.698 -16.054 -8.155 1.00 6.31 O ATOM 750 CG2 THR A 46 -8.024 -16.922 -10.324 1.00 7.39 C ATOM 0 H THR A 46 -9.622 -16.359 -7.194 1.00 5.00 H new ATOM 0 HA THR A 46 -9.529 -18.586 -9.125 1.00 5.82 H new ATOM 0 HB THR A 46 -7.015 -17.927 -8.738 1.00 6.59 H new ATOM 0 HG1 THR A 46 -6.930 -15.570 -8.525 1.00 6.31 H new ATOM 0 HG21 THR A 46 -7.145 -16.371 -10.660 1.00 7.39 H new ATOM 0 HG22 THR A 46 -8.122 -17.838 -10.906 1.00 7.39 H new ATOM 0 HG23 THR A 46 -8.913 -16.307 -10.464 1.00 7.39 H new ATOM 758 N SER A 47 -9.651 -19.579 -6.535 1.00 5.54 N ATOM 759 CA SER A 47 -9.535 -20.629 -5.513 1.00 5.68 C ATOM 760 C SER A 47 -8.672 -20.260 -4.266 1.00 5.14 C ATOM 761 O SER A 47 -9.231 -19.672 -3.333 1.00 5.00 O ATOM 762 CB SER A 47 -9.133 -21.943 -6.178 1.00 6.41 C ATOM 763 OG SER A 47 -10.026 -22.256 -7.240 1.00 6.89 O ATOM 0 H SER A 47 -10.607 -19.242 -6.644 1.00 5.54 H new ATOM 0 HA SER A 47 -10.523 -20.750 -5.068 1.00 5.68 H new ATOM 0 HB2 SER A 47 -8.115 -21.868 -6.561 1.00 6.41 H new ATOM 0 HB3 SER A 47 -9.138 -22.747 -5.442 1.00 6.41 H new ATOM 0 HG SER A 47 -9.755 -23.100 -7.658 1.00 6.89 H new ATOM 769 N PRO A 48 -7.341 -20.598 -4.154 1.00 5.23 N ATOM 770 CA PRO A 48 -6.576 -20.270 -2.937 1.00 5.13 C ATOM 771 C PRO A 48 -6.166 -18.804 -2.849 1.00 4.48 C ATOM 772 O PRO A 48 -6.138 -18.092 -3.859 1.00 4.75 O ATOM 773 CB PRO A 48 -5.338 -21.159 -3.048 1.00 5.87 C ATOM 774 CG PRO A 48 -5.116 -21.313 -4.504 1.00 6.34 C ATOM 775 CD PRO A 48 -6.484 -21.330 -5.127 1.00 5.91 C ATOM 0 HA PRO A 48 -7.173 -20.438 -2.041 1.00 5.13 H new ATOM 0 HB2 PRO A 48 -4.476 -20.701 -2.562 1.00 5.87 H new ATOM 0 HB3 PRO A 48 -5.499 -22.124 -2.568 1.00 5.87 H new ATOM 0 HG2 PRO A 48 -4.517 -20.491 -4.897 1.00 6.34 H new ATOM 0 HG3 PRO A 48 -4.576 -22.234 -4.722 1.00 6.34 H new ATOM 0 HD2 PRO A 48 -6.483 -20.842 -6.102 1.00 5.91 H new ATOM 0 HD3 PRO A 48 -6.838 -22.349 -5.281 1.00 5.91 H new ATOM 783 N PRO A 49 -5.824 -18.336 -1.628 1.00 4.08 N ATOM 784 CA PRO A 49 -5.396 -16.965 -1.396 1.00 3.90 C ATOM 785 C PRO A 49 -3.912 -16.793 -1.716 1.00 3.66 C ATOM 786 O PRO A 49 -3.267 -17.732 -2.188 1.00 4.13 O ATOM 787 CB PRO A 49 -5.679 -16.779 0.094 1.00 4.20 C ATOM 788 CG PRO A 49 -5.385 -18.113 0.674 1.00 4.54 C ATOM 789 CD PRO A 49 -5.809 -19.121 -0.369 1.00 4.40 C ATOM 0 HA PRO A 49 -5.905 -16.233 -2.023 1.00 3.90 H new ATOM 0 HB2 PRO A 49 -5.047 -16.005 0.529 1.00 4.20 H new ATOM 0 HB3 PRO A 49 -6.713 -16.483 0.272 1.00 4.20 H new ATOM 0 HG2 PRO A 49 -4.325 -18.213 0.905 1.00 4.54 H new ATOM 0 HG3 PRO A 49 -5.930 -18.262 1.606 1.00 4.54 H new ATOM 0 HD2 PRO A 49 -5.111 -19.956 -0.426 1.00 4.40 H new ATOM 0 HD3 PRO A 49 -6.790 -19.540 -0.146 1.00 4.40 H new ATOM 797 N SER A 50 -3.395 -15.589 -1.478 1.00 3.25 N ATOM 798 CA SER A 50 -1.994 -15.256 -1.765 1.00 3.42 C ATOM 799 C SER A 50 -1.790 -15.271 -3.279 1.00 2.88 C ATOM 800 O SER A 50 -1.933 -16.300 -3.941 1.00 3.28 O ATOM 801 CB SER A 50 -1.047 -16.224 -1.056 1.00 4.28 C ATOM 802 OG SER A 50 0.200 -15.610 -0.779 1.00 4.85 O ATOM 0 H SER A 50 -3.931 -14.816 -1.082 1.00 3.25 H new ATOM 0 HA SER A 50 -1.764 -14.260 -1.385 1.00 3.42 H new ATOM 0 HB2 SER A 50 -1.501 -16.566 -0.126 1.00 4.28 H new ATOM 0 HB3 SER A 50 -0.891 -17.106 -1.678 1.00 4.28 H new ATOM 0 HG SER A 50 0.081 -14.923 -0.090 1.00 4.85 H new ATOM 808 N TYR A 51 -1.531 -14.102 -3.838 1.00 2.46 N ATOM 809 CA TYR A 51 -1.404 -13.968 -5.283 1.00 2.13 C ATOM 810 C TYR A 51 0.017 -14.290 -5.740 1.00 2.52 C ATOM 811 O TYR A 51 0.450 -15.440 -5.704 1.00 3.20 O ATOM 812 CB TYR A 51 -1.766 -12.539 -5.701 1.00 2.21 C ATOM 813 CG TYR A 51 -2.083 -12.357 -7.172 1.00 2.58 C ATOM 814 CD1 TYR A 51 -3.135 -13.039 -7.776 1.00 3.33 C ATOM 815 CD2 TYR A 51 -1.340 -11.480 -7.952 1.00 2.99 C ATOM 816 CE1 TYR A 51 -3.432 -12.850 -9.112 1.00 4.15 C ATOM 817 CE2 TYR A 51 -1.632 -11.292 -9.287 1.00 3.82 C ATOM 818 CZ TYR A 51 -2.677 -11.976 -9.861 1.00 4.30 C ATOM 819 OH TYR A 51 -2.978 -11.780 -11.188 1.00 5.34 O ATOM 0 H TYR A 51 -1.405 -13.234 -3.318 1.00 2.46 H new ATOM 0 HA TYR A 51 -2.086 -14.675 -5.755 1.00 2.13 H new ATOM 0 HB2 TYR A 51 -2.627 -12.214 -5.117 1.00 2.21 H new ATOM 0 HB3 TYR A 51 -0.938 -11.880 -5.440 1.00 2.21 H new ATOM 0 HD1 TYR A 51 -3.728 -13.727 -7.191 1.00 3.33 H new ATOM 0 HD2 TYR A 51 -0.520 -10.936 -7.506 1.00 2.99 H new ATOM 0 HE1 TYR A 51 -4.253 -13.385 -9.566 1.00 4.15 H new ATOM 0 HE2 TYR A 51 -1.041 -10.609 -9.880 1.00 3.82 H new ATOM 0 HH TYR A 51 -2.352 -11.132 -11.573 1.00 5.34 H new ATOM 829 N THR A 52 0.729 -13.255 -6.151 1.00 2.67 N ATOM 830 CA THR A 52 2.102 -13.367 -6.604 1.00 3.45 C ATOM 831 C THR A 52 2.645 -11.958 -6.834 1.00 3.24 C ATOM 832 O THR A 52 1.886 -11.062 -7.197 1.00 3.53 O ATOM 833 CB THR A 52 2.199 -14.208 -7.899 1.00 4.25 C ATOM 834 OG1 THR A 52 3.556 -14.435 -8.246 1.00 4.76 O ATOM 835 CG2 THR A 52 1.512 -13.572 -9.100 1.00 4.89 C ATOM 0 H THR A 52 0.364 -12.303 -6.179 1.00 2.67 H new ATOM 0 HA THR A 52 2.695 -13.879 -5.846 1.00 3.45 H new ATOM 0 HB THR A 52 1.684 -15.141 -7.671 1.00 4.25 H new ATOM 0 HG1 THR A 52 3.599 -14.970 -9.066 1.00 4.76 H new ATOM 0 HG21 THR A 52 1.624 -14.221 -9.969 1.00 4.89 H new ATOM 0 HG22 THR A 52 0.453 -13.435 -8.883 1.00 4.89 H new ATOM 0 HG23 THR A 52 1.967 -12.604 -9.309 1.00 4.89 H new ATOM 843 N HIS A 53 3.936 -11.762 -6.616 1.00 3.23 N ATOM 844 CA HIS A 53 4.553 -10.450 -6.808 1.00 3.30 C ATOM 845 C HIS A 53 4.366 -9.988 -8.257 1.00 2.67 C ATOM 846 O HIS A 53 4.914 -10.592 -9.178 1.00 3.21 O ATOM 847 CB HIS A 53 6.047 -10.481 -6.430 1.00 4.24 C ATOM 848 CG HIS A 53 6.901 -11.440 -7.218 1.00 4.85 C ATOM 849 ND1 HIS A 53 6.852 -12.816 -7.070 1.00 5.28 N ATOM 850 CD2 HIS A 53 7.840 -11.202 -8.163 1.00 5.52 C ATOM 851 CE1 HIS A 53 7.725 -13.373 -7.891 1.00 6.09 C ATOM 852 NE2 HIS A 53 8.335 -12.415 -8.565 1.00 6.21 N ATOM 0 H HIS A 53 4.579 -12.490 -6.307 1.00 3.23 H new ATOM 0 HA HIS A 53 4.060 -9.736 -6.148 1.00 3.30 H new ATOM 0 HB2 HIS A 53 6.454 -9.477 -6.551 1.00 4.24 H new ATOM 0 HB3 HIS A 53 6.130 -10.734 -5.373 1.00 4.24 H new ATOM 0 HD2 HIS A 53 8.144 -10.234 -8.533 1.00 5.52 H new ATOM 0 HE1 HIS A 53 7.909 -14.432 -7.993 1.00 6.09 H new ATOM 0 HE2 HIS A 53 9.058 -12.555 -9.271 1.00 6.21 H new ATOM 861 N TYR A 54 3.559 -8.944 -8.466 1.00 2.10 N ATOM 862 CA TYR A 54 3.290 -8.454 -9.818 1.00 2.00 C ATOM 863 C TYR A 54 2.845 -6.986 -9.820 1.00 1.62 C ATOM 864 O TYR A 54 3.487 -6.132 -10.439 1.00 1.96 O ATOM 865 CB TYR A 54 2.193 -9.312 -10.455 1.00 2.78 C ATOM 866 CG TYR A 54 1.999 -9.075 -11.937 1.00 3.45 C ATOM 867 CD1 TYR A 54 2.956 -9.497 -12.846 1.00 3.89 C ATOM 868 CD2 TYR A 54 0.867 -8.436 -12.423 1.00 4.24 C ATOM 869 CE1 TYR A 54 2.793 -9.288 -14.203 1.00 4.87 C ATOM 870 CE2 TYR A 54 0.693 -8.223 -13.776 1.00 5.15 C ATOM 871 CZ TYR A 54 1.659 -8.652 -14.663 1.00 5.40 C ATOM 872 OH TYR A 54 1.485 -8.437 -16.013 1.00 6.50 O ATOM 0 H TYR A 54 3.086 -8.428 -7.724 1.00 2.10 H new ATOM 0 HA TYR A 54 4.216 -8.524 -10.389 1.00 2.00 H new ATOM 0 HB2 TYR A 54 2.432 -10.363 -10.295 1.00 2.78 H new ATOM 0 HB3 TYR A 54 1.251 -9.117 -9.941 1.00 2.78 H new ATOM 0 HD1 TYR A 54 3.844 -9.997 -12.489 1.00 3.89 H new ATOM 0 HD2 TYR A 54 0.109 -8.100 -11.731 1.00 4.24 H new ATOM 0 HE1 TYR A 54 3.549 -9.621 -14.899 1.00 4.87 H new ATOM 0 HE2 TYR A 54 -0.194 -7.724 -14.138 1.00 5.15 H new ATOM 0 HH TYR A 54 0.632 -7.978 -16.164 1.00 6.50 H new ATOM 882 N SER A 55 1.722 -6.712 -9.156 1.00 1.34 N ATOM 883 CA SER A 55 1.150 -5.361 -9.110 1.00 1.50 C ATOM 884 C SER A 55 1.848 -4.445 -8.099 1.00 1.20 C ATOM 885 O SER A 55 2.341 -4.895 -7.063 1.00 1.33 O ATOM 886 CB SER A 55 -0.350 -5.437 -8.806 1.00 2.13 C ATOM 887 OG SER A 55 -0.612 -6.301 -7.709 1.00 2.61 O ATOM 0 H SER A 55 1.186 -7.410 -8.639 1.00 1.34 H new ATOM 0 HA SER A 55 1.309 -4.918 -10.093 1.00 1.50 H new ATOM 0 HB2 SER A 55 -0.729 -4.439 -8.584 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.884 -5.793 -9.687 1.00 2.13 H new ATOM 0 HG SER A 55 -0.544 -5.796 -6.872 1.00 2.61 H new ATOM 893 N SER A 56 1.870 -3.151 -8.426 1.00 1.07 N ATOM 894 CA SER A 56 2.487 -2.138 -7.583 1.00 0.91 C ATOM 895 C SER A 56 1.989 -0.741 -7.974 1.00 0.80 C ATOM 896 O SER A 56 1.646 -0.489 -9.133 1.00 0.93 O ATOM 897 CB SER A 56 4.019 -2.210 -7.691 1.00 1.09 C ATOM 898 OG SER A 56 4.641 -1.343 -6.761 1.00 1.73 O ATOM 0 H SER A 56 1.459 -2.781 -9.283 1.00 1.07 H new ATOM 0 HA SER A 56 2.204 -2.330 -6.548 1.00 0.91 H new ATOM 0 HB2 SER A 56 4.350 -3.233 -7.515 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.327 -1.944 -8.702 1.00 1.09 H new ATOM 0 HG SER A 56 5.614 -1.411 -6.851 1.00 1.73 H new ATOM 904 N ILE A 57 1.964 0.164 -7.010 1.00 0.68 N ATOM 905 CA ILE A 57 1.530 1.534 -7.241 1.00 0.67 C ATOM 906 C ILE A 57 2.759 2.433 -7.285 1.00 0.63 C ATOM 907 O ILE A 57 3.782 2.108 -6.683 1.00 0.81 O ATOM 908 CB ILE A 57 0.551 2.002 -6.131 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.811 1.307 -6.285 1.00 0.92 C ATOM 910 CG2 ILE A 57 0.382 3.524 -6.118 1.00 0.82 C ATOM 911 CD1 ILE A 57 -1.548 1.683 -7.553 1.00 0.81 C ATOM 0 H ILE A 57 2.243 -0.028 -6.048 1.00 0.68 H new ATOM 0 HA ILE A 57 0.997 1.590 -8.190 1.00 0.67 H new ATOM 0 HB ILE A 57 0.986 1.717 -5.173 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.662 0.227 -6.269 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -1.434 1.555 -5.426 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -0.311 3.806 -5.326 1.00 0.82 H new ATOM 0 HG22 ILE A 57 1.348 3.996 -5.940 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.011 3.855 -7.079 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.500 1.153 -7.591 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -1.730 2.758 -7.563 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -0.945 1.409 -8.419 1.00 0.81 H new ATOM 923 N ARG A 58 2.667 3.549 -7.995 1.00 0.66 N ATOM 924 CA ARG A 58 3.779 4.478 -8.107 1.00 0.73 C ATOM 925 C ARG A 58 3.308 5.904 -7.891 1.00 0.75 C ATOM 926 O ARG A 58 2.331 6.343 -8.504 1.00 0.91 O ATOM 927 CB ARG A 58 4.446 4.377 -9.487 1.00 0.96 C ATOM 928 CG ARG A 58 3.563 4.818 -10.641 1.00 1.24 C ATOM 929 CD ARG A 58 2.765 3.656 -11.196 1.00 1.86 C ATOM 930 NE ARG A 58 3.547 2.880 -12.161 1.00 2.47 N ATOM 931 CZ ARG A 58 3.166 1.706 -12.650 1.00 2.95 C ATOM 932 NH1 ARG A 58 2.397 0.925 -11.914 1.00 3.22 N ATOM 933 NH2 ARG A 58 3.839 1.164 -13.657 1.00 3.70 N ATOM 0 H ARG A 58 1.829 3.832 -8.503 1.00 0.66 H new ATOM 0 HA ARG A 58 4.505 4.212 -7.339 1.00 0.73 H new ATOM 0 HB2 ARG A 58 5.352 4.984 -9.485 1.00 0.96 H new ATOM 0 HB3 ARG A 58 4.754 3.345 -9.654 1.00 0.96 H new ATOM 0 HG2 ARG A 58 2.884 5.601 -10.304 1.00 1.24 H new ATOM 0 HG3 ARG A 58 4.179 5.249 -11.430 1.00 1.24 H new ATOM 0 HD2 ARG A 58 2.447 3.008 -10.379 1.00 1.86 H new ATOM 0 HD3 ARG A 58 1.861 4.030 -11.676 1.00 1.86 H new ATOM 0 HE ARG A 58 4.438 3.265 -12.476 1.00 2.47 H new ATOM 0 HH11 ARG A 58 2.104 1.227 -10.985 1.00 3.22 H new ATOM 0 HH12 ARG A 58 2.095 0.020 -12.275 1.00 3.22 H new ATOM 0 HH21 ARG A 58 4.645 1.649 -14.052 1.00 3.70 H new ATOM 0 HH22 ARG A 58 3.551 0.262 -14.036 1.00 3.70 H new ATOM 947 N LEU A 59 4.019 6.638 -7.043 1.00 0.85 N ATOM 948 CA LEU A 59 3.708 8.041 -6.759 1.00 1.02 C ATOM 949 C LEU A 59 4.165 8.899 -7.935 1.00 1.15 C ATOM 950 O LEU A 59 4.777 9.961 -7.786 1.00 1.59 O ATOM 951 CB LEU A 59 4.380 8.512 -5.458 1.00 1.28 C ATOM 952 CG LEU A 59 3.781 7.972 -4.150 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.079 6.501 -3.963 1.00 1.35 C ATOM 954 CD2 LEU A 59 4.303 8.776 -2.973 1.00 1.79 C ATOM 0 H LEU A 59 4.827 6.282 -6.532 1.00 0.85 H new ATOM 0 HA LEU A 59 2.631 8.142 -6.624 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.432 8.230 -5.495 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.342 9.601 -5.428 1.00 1.28 H new ATOM 0 HG LEU A 59 2.698 8.079 -4.206 1.00 1.35 H new ATOM 0 HD11 LEU A 59 3.639 6.157 -3.027 1.00 1.35 H new ATOM 0 HD12 LEU A 59 3.655 5.936 -4.793 1.00 1.35 H new ATOM 0 HD13 LEU A 59 5.158 6.349 -3.934 1.00 1.35 H new ATOM 0 HD21 LEU A 59 3.875 8.388 -2.049 1.00 1.79 H new ATOM 0 HD22 LEU A 59 5.389 8.696 -2.931 1.00 1.79 H new ATOM 0 HD23 LEU A 59 4.021 9.822 -3.093 1.00 1.79 H new ATOM 966 N ASP A 60 3.831 8.413 -9.104 1.00 1.13 N ATOM 967 CA ASP A 60 4.153 9.070 -10.349 1.00 1.33 C ATOM 968 C ASP A 60 2.918 9.781 -10.868 1.00 1.33 C ATOM 969 O ASP A 60 2.910 11.002 -11.009 1.00 1.56 O ATOM 970 CB ASP A 60 4.646 8.041 -11.370 1.00 1.46 C ATOM 971 CG ASP A 60 5.191 8.659 -12.646 1.00 1.90 C ATOM 972 OD1 ASP A 60 5.391 9.889 -12.690 1.00 2.27 O ATOM 973 OD2 ASP A 60 5.437 7.907 -13.612 1.00 2.52 O ATOM 0 H ASP A 60 3.321 7.538 -9.221 1.00 1.13 H new ATOM 0 HA ASP A 60 4.946 9.800 -10.186 1.00 1.33 H new ATOM 0 HB2 ASP A 60 5.424 7.431 -10.911 1.00 1.46 H new ATOM 0 HB3 ASP A 60 3.824 7.371 -11.623 1.00 1.46 H new ATOM 978 N LYS A 61 1.869 9.019 -11.157 1.00 1.22 N ATOM 979 CA LYS A 61 0.643 9.615 -11.670 1.00 1.28 C ATOM 980 C LYS A 61 -0.596 9.065 -10.981 1.00 1.06 C ATOM 981 O LYS A 61 -1.533 8.611 -11.641 1.00 1.27 O ATOM 982 CB LYS A 61 0.510 9.387 -13.171 1.00 1.60 C ATOM 983 CG LYS A 61 1.658 9.924 -14.005 1.00 1.93 C ATOM 984 CD LYS A 61 1.233 10.082 -15.457 1.00 2.55 C ATOM 985 CE LYS A 61 0.562 8.828 -16.004 1.00 3.16 C ATOM 986 NZ LYS A 61 0.076 9.018 -17.401 1.00 3.92 N ATOM 0 H LYS A 61 1.842 8.005 -11.047 1.00 1.22 H new ATOM 0 HA LYS A 61 0.713 10.683 -11.462 1.00 1.28 H new ATOM 0 HB2 LYS A 61 0.417 8.316 -13.354 1.00 1.60 H new ATOM 0 HB3 LYS A 61 -0.416 9.850 -13.513 1.00 1.60 H new ATOM 0 HG2 LYS A 61 1.985 10.886 -13.609 1.00 1.93 H new ATOM 0 HG3 LYS A 61 2.510 9.247 -13.941 1.00 1.93 H new ATOM 0 HD2 LYS A 61 0.547 10.925 -15.543 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.106 10.319 -16.065 1.00 2.55 H new ATOM 0 HE2 LYS A 61 1.268 7.998 -15.975 1.00 3.16 H new ATOM 0 HE3 LYS A 61 -0.276 8.556 -15.362 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 -0.374 8.141 -17.734 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 -0.617 9.793 -17.425 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 0.879 9.252 -18.019 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.613 9.129 -9.660 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.767 8.665 -8.901 1.00 0.69 C ATOM 1002 C TYR A 62 -2.112 9.674 -7.805 1.00 0.67 C ATOM 1003 O TYR A 62 -1.227 10.329 -7.254 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.524 7.261 -8.316 1.00 0.70 C ATOM 1005 CG TYR A 62 -1.065 7.231 -6.876 1.00 0.74 C ATOM 1006 CD1 TYR A 62 -1.971 7.301 -5.820 1.00 1.49 C ATOM 1007 CD2 TYR A 62 0.277 7.132 -6.577 1.00 1.46 C ATOM 1008 CE1 TYR A 62 -1.539 7.267 -4.510 1.00 1.84 C ATOM 1009 CE2 TYR A 62 0.718 7.098 -5.270 1.00 1.79 C ATOM 1010 CZ TYR A 62 -0.192 7.165 -4.239 1.00 1.66 C ATOM 1011 OH TYR A 62 0.245 7.118 -2.932 1.00 2.21 O ATOM 0 H TYR A 62 0.152 9.494 -9.093 1.00 0.83 H new ATOM 0 HA TYR A 62 -2.618 8.587 -9.578 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.447 6.687 -8.398 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.778 6.754 -8.928 1.00 0.70 H new ATOM 0 HD1 TYR A 62 -3.027 7.383 -6.030 1.00 1.49 H new ATOM 0 HD2 TYR A 62 0.997 7.080 -7.381 1.00 1.46 H new ATOM 0 HE1 TYR A 62 -2.253 7.320 -3.701 1.00 1.84 H new ATOM 0 HE2 TYR A 62 1.774 7.019 -5.056 1.00 1.79 H new ATOM 0 HH TYR A 62 1.222 7.045 -2.916 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.387 9.791 -7.479 1.00 0.64 N ATOM 1022 CA ASN A 63 -3.820 10.707 -6.438 1.00 0.73 C ATOM 1023 C ASN A 63 -4.448 9.917 -5.320 1.00 0.64 C ATOM 1024 O ASN A 63 -5.430 9.206 -5.520 1.00 0.73 O ATOM 1025 CB ASN A 63 -4.815 11.715 -6.987 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.246 12.734 -5.949 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -4.410 13.383 -5.324 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -6.549 12.904 -5.769 1.00 2.13 N ATOM 0 H ASN A 63 -4.141 9.264 -7.920 1.00 0.64 H new ATOM 0 HA ASN A 63 -2.956 11.256 -6.063 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -4.370 12.233 -7.837 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -5.693 11.187 -7.359 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -6.885 13.591 -5.094 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -7.215 12.348 -6.305 1.00 2.13 H new ATOM 1035 N ILE A 64 -3.867 10.020 -4.152 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.365 9.281 -3.012 1.00 0.70 C ATOM 1037 C ILE A 64 -5.351 10.114 -2.204 1.00 0.79 C ATOM 1038 O ILE A 64 -5.206 11.330 -2.070 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.212 8.768 -2.117 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -3.715 7.686 -1.151 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.546 9.912 -1.363 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -2.599 6.856 -0.557 1.00 1.18 C ATOM 0 H ILE A 64 -3.053 10.604 -3.962 1.00 0.74 H new ATOM 0 HA ILE A 64 -4.895 8.410 -3.397 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.458 8.320 -2.764 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.276 8.159 -0.345 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -4.407 7.029 -1.679 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.740 9.519 -0.743 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.139 10.629 -2.076 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.282 10.408 -0.730 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -3.020 6.110 0.117 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -2.052 6.356 -1.357 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -1.920 7.503 -0.002 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.365 9.432 -1.702 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.427 10.043 -0.920 1.00 0.80 C ATOM 1056 C ARG A 65 -7.807 9.130 0.243 1.00 0.68 C ATOM 1057 O ARG A 65 -7.148 8.124 0.504 1.00 0.71 O ATOM 1058 CB ARG A 65 -8.665 10.256 -1.794 1.00 0.97 C ATOM 1059 CG ARG A 65 -8.495 11.301 -2.881 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.642 12.711 -2.330 1.00 1.78 C ATOM 1061 NE ARG A 65 -8.544 13.751 -3.368 1.00 2.20 N ATOM 1062 CZ ARG A 65 -9.387 13.882 -4.401 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -10.462 13.121 -4.481 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -9.229 14.875 -5.274 1.00 3.57 N ATOM 0 H ARG A 65 -6.476 8.426 -1.827 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.070 11.001 -0.542 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -8.934 9.307 -2.258 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -9.499 10.546 -1.156 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -7.514 11.191 -3.342 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -9.236 11.137 -3.664 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -9.604 12.799 -1.826 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.872 12.883 -1.578 1.00 1.78 H new ATOM 0 HE ARG A 65 -7.778 14.421 -3.295 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -10.653 12.430 -3.755 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -11.102 13.223 -5.269 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -8.464 15.539 -5.158 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -9.873 14.971 -6.059 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.904 9.468 0.898 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.425 8.676 2.001 1.00 0.83 C ATOM 1080 C GLN A 66 -10.951 8.695 1.949 1.00 0.99 C ATOM 1081 O GLN A 66 -11.563 9.737 1.712 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.907 9.189 3.368 1.00 0.97 C ATOM 1083 CG GLN A 66 -9.438 10.559 3.788 1.00 1.30 C ATOM 1084 CD GLN A 66 -9.000 11.662 2.850 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.813 11.963 2.737 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -9.954 12.255 2.157 1.00 2.45 N ATOM 0 H GLN A 66 -9.458 10.297 0.682 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.071 7.650 1.897 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -9.172 8.462 4.136 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.818 9.233 3.334 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -10.527 10.528 3.824 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -9.092 10.786 4.797 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -10.926 11.973 2.283 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -9.719 12.995 1.496 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.550 7.543 2.155 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.990 7.415 2.132 1.00 1.14 C ATOM 1097 C HIS A 67 -13.516 7.505 3.535 1.00 1.30 C ATOM 1098 O HIS A 67 -13.256 6.626 4.344 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.389 6.070 1.546 1.00 1.28 C ATOM 1100 CG HIS A 67 -14.803 5.998 1.079 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -15.900 6.274 1.875 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -15.292 5.655 -0.123 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -16.999 6.100 1.172 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -16.656 5.725 -0.047 1.00 1.61 N ATOM 0 H HIS A 67 -11.055 6.671 2.343 1.00 0.94 H new ATOM 0 HA HIS A 67 -13.406 8.214 1.518 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -12.730 5.842 0.708 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -13.227 5.297 2.298 1.00 1.28 H new ATOM 0 HD1 HIS A 67 -15.863 6.566 2.852 1.00 1.60 H new ATOM 0 HD2 HIS A 67 -14.714 5.375 -0.991 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -18.008 6.240 1.530 1.00 1.79 H new ATOM 1113 N THR A 68 -14.257 8.543 3.822 1.00 1.74 N ATOM 1114 CA THR A 68 -14.819 8.706 5.141 1.00 2.04 C ATOM 1115 C THR A 68 -16.312 8.366 5.065 1.00 1.92 C ATOM 1116 O THR A 68 -16.684 7.468 4.306 1.00 2.16 O ATOM 1117 CB THR A 68 -14.553 10.135 5.646 1.00 2.74 C ATOM 1118 OG1 THR A 68 -13.217 10.515 5.347 1.00 3.12 O ATOM 1119 CG2 THR A 68 -14.730 10.308 7.141 1.00 3.23 C ATOM 0 H THR A 68 -14.486 9.288 3.164 1.00 1.74 H new ATOM 0 HA THR A 68 -14.353 8.033 5.861 1.00 2.04 H new ATOM 0 HB THR A 68 -15.291 10.756 5.138 1.00 2.74 H new ATOM 0 HG1 THR A 68 -13.056 11.426 5.670 1.00 3.12 H new ATOM 0 HG21 THR A 68 -14.524 11.343 7.414 1.00 3.23 H new ATOM 0 HG22 THR A 68 -15.754 10.057 7.418 1.00 3.23 H new ATOM 0 HG23 THR A 68 -14.040 9.649 7.668 1.00 3.23 H new ATOM 1127 N THR A 69 -17.147 9.067 5.834 1.00 2.34 N ATOM 1128 CA THR A 69 -18.586 8.831 5.844 1.00 2.58 C ATOM 1129 C THR A 69 -18.890 7.446 6.420 1.00 2.35 C ATOM 1130 O THR A 69 -18.999 6.471 5.676 1.00 2.76 O ATOM 1131 CB THR A 69 -19.175 8.977 4.440 1.00 3.11 C ATOM 1132 OG1 THR A 69 -18.798 10.220 3.873 1.00 3.61 O ATOM 1133 CG2 THR A 69 -20.683 8.900 4.417 1.00 3.69 C ATOM 0 H THR A 69 -16.844 9.810 6.463 1.00 2.34 H new ATOM 0 HA THR A 69 -19.054 9.582 6.480 1.00 2.58 H new ATOM 0 HB THR A 69 -18.777 8.141 3.865 1.00 3.11 H new ATOM 0 HG1 THR A 69 -19.180 10.299 2.974 1.00 3.61 H new ATOM 0 HG21 THR A 69 -21.037 9.011 3.392 1.00 3.69 H new ATOM 0 HG22 THR A 69 -21.004 7.935 4.810 1.00 3.69 H new ATOM 0 HG23 THR A 69 -21.098 9.698 5.032 1.00 3.69 H new ATOM 1141 N ASP A 70 -18.986 7.383 7.753 1.00 2.34 N ATOM 1142 CA ASP A 70 -19.242 6.143 8.507 1.00 2.43 C ATOM 1143 C ASP A 70 -17.934 5.435 8.816 1.00 2.17 C ATOM 1144 O ASP A 70 -17.597 5.237 9.983 1.00 2.45 O ATOM 1145 CB ASP A 70 -20.195 5.184 7.779 1.00 3.01 C ATOM 1146 CG ASP A 70 -20.831 4.160 8.702 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -20.108 3.459 9.448 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -22.075 4.039 8.679 1.00 3.96 O ATOM 0 H ASP A 70 -18.887 8.203 8.351 1.00 2.34 H new ATOM 0 HA ASP A 70 -19.733 6.438 9.434 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -20.980 5.762 7.292 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -19.647 4.665 6.993 1.00 3.01 H new ATOM 1153 N GLU A 71 -17.189 5.061 7.785 1.00 2.04 N ATOM 1154 CA GLU A 71 -15.920 4.385 7.984 1.00 2.00 C ATOM 1155 C GLU A 71 -14.815 5.055 7.184 1.00 1.55 C ATOM 1156 O GLU A 71 -15.044 5.546 6.078 1.00 1.90 O ATOM 1157 CB GLU A 71 -16.024 2.916 7.590 1.00 2.69 C ATOM 1158 CG GLU A 71 -16.982 2.118 8.454 1.00 3.30 C ATOM 1159 CD GLU A 71 -16.578 0.666 8.586 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -15.550 0.394 9.244 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -17.282 -0.207 8.039 1.00 4.50 O ATOM 0 H GLU A 71 -17.442 5.214 6.809 1.00 2.04 H new ATOM 0 HA GLU A 71 -15.672 4.451 9.043 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -16.345 2.850 6.551 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -15.034 2.463 7.647 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -17.032 2.568 9.445 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -17.983 2.175 8.027 1.00 3.30 H new ATOM 1168 N ASP A 72 -13.624 5.068 7.762 1.00 1.31 N ATOM 1169 CA ASP A 72 -12.449 5.671 7.139 1.00 1.10 C ATOM 1170 C ASP A 72 -11.623 4.617 6.415 1.00 0.90 C ATOM 1171 O ASP A 72 -11.124 3.674 7.031 1.00 1.26 O ATOM 1172 CB ASP A 72 -11.584 6.342 8.204 1.00 1.58 C ATOM 1173 CG ASP A 72 -12.305 7.463 8.919 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -12.387 8.574 8.358 1.00 2.67 O ATOM 1175 OD2 ASP A 72 -12.808 7.231 10.044 1.00 2.64 O ATOM 0 H ASP A 72 -13.441 4.660 8.679 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.788 6.413 6.416 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -11.268 5.596 8.933 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -10.681 6.735 7.738 1.00 1.58 H new ATOM 1180 N THR A 73 -11.494 4.774 5.108 1.00 0.74 N ATOM 1181 CA THR A 73 -10.744 3.848 4.270 1.00 0.65 C ATOM 1182 C THR A 73 -9.735 4.637 3.434 1.00 0.60 C ATOM 1183 O THR A 73 -9.912 5.832 3.225 1.00 0.79 O ATOM 1184 CB THR A 73 -11.735 3.103 3.362 1.00 0.79 C ATOM 1185 OG1 THR A 73 -12.787 2.545 4.129 1.00 0.89 O ATOM 1186 CG2 THR A 73 -11.123 1.984 2.545 1.00 0.94 C ATOM 0 H THR A 73 -11.908 5.551 4.594 1.00 0.74 H new ATOM 0 HA THR A 73 -10.202 3.125 4.880 1.00 0.65 H new ATOM 0 HB THR A 73 -12.094 3.862 2.667 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.410 2.075 3.536 1.00 0.89 H new ATOM 0 HG21 THR A 73 -11.895 1.515 1.935 1.00 0.94 H new ATOM 0 HG22 THR A 73 -10.345 2.389 1.898 1.00 0.94 H new ATOM 0 HG23 THR A 73 -10.688 1.241 3.214 1.00 0.94 H new ATOM 1194 N ILE A 74 -8.701 3.988 2.921 1.00 0.53 N ATOM 1195 CA ILE A 74 -7.727 4.676 2.086 1.00 0.52 C ATOM 1196 C ILE A 74 -8.049 4.373 0.629 1.00 0.50 C ATOM 1197 O ILE A 74 -8.327 3.222 0.277 1.00 0.66 O ATOM 1198 CB ILE A 74 -6.277 4.255 2.414 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -5.963 4.529 3.901 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -5.278 4.989 1.512 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -6.036 6.000 4.274 1.00 0.99 C ATOM 0 H ILE A 74 -8.515 2.996 3.066 1.00 0.53 H new ATOM 0 HA ILE A 74 -7.793 5.747 2.280 1.00 0.52 H new ATOM 0 HB ILE A 74 -6.181 3.185 2.227 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -6.663 3.970 4.521 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -4.965 4.153 4.129 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -4.264 4.676 1.762 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -5.485 4.749 0.469 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -5.373 6.064 1.663 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -5.804 6.119 5.332 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -5.316 6.562 3.679 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -7.040 6.376 4.078 1.00 0.99 H new ATOM 1213 N VAL A 75 -8.066 5.403 -0.201 1.00 0.42 N ATOM 1214 CA VAL A 75 -8.415 5.231 -1.609 1.00 0.45 C ATOM 1215 C VAL A 75 -7.405 5.890 -2.545 1.00 0.46 C ATOM 1216 O VAL A 75 -7.169 7.089 -2.478 1.00 0.59 O ATOM 1217 CB VAL A 75 -9.824 5.810 -1.896 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -10.128 5.813 -3.386 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -10.896 5.040 -1.129 1.00 0.61 C ATOM 0 H VAL A 75 -7.845 6.361 0.069 1.00 0.42 H new ATOM 0 HA VAL A 75 -8.405 4.158 -1.801 1.00 0.45 H new ATOM 0 HB VAL A 75 -9.832 6.844 -1.551 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -11.123 6.225 -3.553 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -9.390 6.424 -3.907 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -10.089 4.793 -3.767 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -11.876 5.465 -1.347 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -10.879 3.993 -1.432 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -10.700 5.111 -0.059 1.00 0.61 H new ATOM 1229 N LEU A 76 -6.848 5.091 -3.439 1.00 0.51 N ATOM 1230 CA LEU A 76 -5.900 5.569 -4.430 1.00 0.58 C ATOM 1231 C LEU A 76 -6.636 5.761 -5.752 1.00 0.59 C ATOM 1232 O LEU A 76 -7.236 4.823 -6.285 1.00 0.68 O ATOM 1233 CB LEU A 76 -4.732 4.589 -4.588 1.00 0.74 C ATOM 1234 CG LEU A 76 -3.854 4.390 -3.333 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -4.503 3.426 -2.337 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -2.466 3.905 -3.723 1.00 1.04 C ATOM 0 H LEU A 76 -7.041 4.091 -3.498 1.00 0.51 H new ATOM 0 HA LEU A 76 -5.478 6.520 -4.105 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -5.132 3.620 -4.887 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.097 4.937 -5.403 1.00 0.74 H new ATOM 0 HG LEU A 76 -3.760 5.357 -2.840 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -3.856 3.311 -1.467 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -5.468 3.824 -2.022 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -4.648 2.456 -2.812 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -1.862 3.771 -2.826 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -2.548 2.955 -4.251 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -1.992 4.641 -4.372 1.00 1.04 H new ATOM 1248 N GLN A 77 -6.641 6.983 -6.249 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.367 7.300 -7.467 1.00 0.74 C ATOM 1250 C GLN A 77 -6.458 7.681 -8.631 1.00 0.78 C ATOM 1251 O GLN A 77 -5.375 8.239 -8.449 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.339 8.453 -7.190 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.444 8.104 -6.208 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.411 9.250 -5.978 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.626 9.595 -4.719 1.00 2.19 O flip ATOM 1256 NE2 GLN A 77 -10.962 9.818 -6.924 1.00 2.03 N flip ATOM 0 H GLN A 77 -6.151 7.773 -5.829 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.900 6.396 -7.762 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.778 9.303 -6.803 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.789 8.770 -8.131 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -9.994 7.240 -6.580 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -8.999 7.814 -5.256 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.768 9.521 -7.880 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.611 10.585 -6.750 1.00 2.03 H new ATOM 1265 N PRO A 78 -6.920 7.407 -9.862 1.00 0.85 N ATOM 1266 CA PRO A 78 -6.188 7.742 -11.076 1.00 0.99 C ATOM 1267 C PRO A 78 -6.370 9.204 -11.462 1.00 1.02 C ATOM 1268 O PRO A 78 -7.369 9.574 -12.087 1.00 1.34 O ATOM 1269 CB PRO A 78 -6.815 6.817 -12.119 1.00 1.43 C ATOM 1270 CG PRO A 78 -8.222 6.607 -11.662 1.00 1.60 C ATOM 1271 CD PRO A 78 -8.219 6.772 -10.159 1.00 1.20 C ATOM 0 HA PRO A 78 -5.111 7.612 -10.969 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -6.786 7.266 -13.112 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -6.276 5.872 -12.181 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -8.893 7.328 -12.129 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -8.576 5.615 -11.942 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -9.050 7.393 -9.826 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -8.316 5.811 -9.654 1.00 1.20 H new ATOM 1279 N GLN A 79 -5.408 10.034 -11.066 1.00 1.17 N ATOM 1280 CA GLN A 79 -5.458 11.461 -11.358 1.00 1.56 C ATOM 1281 C GLN A 79 -5.684 11.688 -12.848 1.00 1.66 C ATOM 1282 O GLN A 79 -6.332 12.657 -13.249 1.00 2.02 O ATOM 1283 CB GLN A 79 -4.162 12.145 -10.926 1.00 2.04 C ATOM 1284 CG GLN A 79 -2.938 11.631 -11.662 1.00 2.20 C ATOM 1285 CD GLN A 79 -1.687 12.423 -11.357 1.00 2.84 C ATOM 1286 OE1 GLN A 79 -1.195 12.429 -10.228 1.00 3.22 O ATOM 1287 NE2 GLN A 79 -1.167 13.098 -12.365 1.00 3.46 N ATOM 0 H GLN A 79 -4.584 9.741 -10.541 1.00 1.17 H new ATOM 0 HA GLN A 79 -6.288 11.893 -10.799 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -4.253 13.218 -11.092 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -4.022 11.999 -9.855 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -2.774 10.587 -11.396 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -3.127 11.661 -12.735 1.00 2.20 H new ATOM 0 HE21 GLN A 79 -1.609 13.064 -13.284 1.00 3.46 H new ATOM 0 HE22 GLN A 79 -0.323 13.654 -12.225 1.00 3.46 H new ATOM 1296 N GLU A 80 -5.158 10.774 -13.668 1.00 1.50 N ATOM 1297 CA GLU A 80 -5.296 10.839 -15.112 1.00 1.81 C ATOM 1298 C GLU A 80 -5.963 9.560 -15.609 1.00 1.62 C ATOM 1299 O GLU A 80 -5.676 8.467 -15.106 1.00 1.78 O ATOM 1300 CB GLU A 80 -3.917 10.999 -15.751 1.00 2.37 C ATOM 1301 CG GLU A 80 -3.954 11.375 -17.224 1.00 3.06 C ATOM 1302 CD GLU A 80 -2.582 11.372 -17.860 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -1.591 11.080 -17.157 1.00 4.35 O ATOM 1304 OE2 GLU A 80 -2.482 11.665 -19.067 1.00 4.42 O ATOM 0 H GLU A 80 -4.624 9.969 -13.341 1.00 1.50 H new ATOM 0 HA GLU A 80 -5.912 11.695 -15.388 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -3.363 11.763 -15.206 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -3.366 10.065 -15.639 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -4.599 10.677 -17.757 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -4.398 12.365 -17.331 1.00 3.06 H new ATOM 1311 N PRO A 81 -6.876 9.670 -16.587 1.00 1.93 N ATOM 1312 CA PRO A 81 -7.582 8.511 -17.121 1.00 2.28 C ATOM 1313 C PRO A 81 -6.628 7.486 -17.723 1.00 2.24 C ATOM 1314 O PRO A 81 -5.722 7.833 -18.490 1.00 2.80 O ATOM 1315 CB PRO A 81 -8.498 9.094 -18.196 1.00 2.89 C ATOM 1316 CG PRO A 81 -8.616 10.536 -17.858 1.00 3.10 C ATOM 1317 CD PRO A 81 -7.301 10.921 -17.240 1.00 2.53 C ATOM 0 HA PRO A 81 -8.125 7.975 -16.342 1.00 2.28 H new ATOM 0 HB2 PRO A 81 -8.077 8.955 -19.192 1.00 2.89 H new ATOM 0 HB3 PRO A 81 -9.473 8.606 -18.191 1.00 2.89 H new ATOM 0 HG2 PRO A 81 -8.819 11.131 -18.749 1.00 3.10 H new ATOM 0 HG3 PRO A 81 -9.439 10.709 -17.165 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -6.582 11.252 -17.989 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -7.412 11.735 -16.524 1.00 2.53 H new ATOM 1325 N GLY A 82 -6.825 6.233 -17.350 1.00 1.99 N ATOM 1326 CA GLY A 82 -5.979 5.157 -17.827 1.00 2.10 C ATOM 1327 C GLY A 82 -5.739 4.154 -16.725 1.00 1.96 C ATOM 1328 O GLY A 82 -5.809 2.940 -16.931 1.00 2.51 O ATOM 0 H GLY A 82 -7.567 5.937 -16.716 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -6.449 4.666 -18.679 1.00 2.10 H new ATOM 0 HA3 GLY A 82 -5.028 5.560 -18.175 1.00 2.10 H new ATOM 1332 N LEU A 83 -5.482 4.690 -15.540 1.00 1.57 N ATOM 1333 CA LEU A 83 -5.254 3.886 -14.354 1.00 1.40 C ATOM 1334 C LEU A 83 -6.602 3.512 -13.750 1.00 1.22 C ATOM 1335 O LEU A 83 -7.541 4.316 -13.786 1.00 1.13 O ATOM 1336 CB LEU A 83 -4.412 4.685 -13.341 1.00 1.31 C ATOM 1337 CG LEU A 83 -4.026 3.943 -12.058 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -2.896 2.960 -12.294 1.00 1.86 C ATOM 1339 CD2 LEU A 83 -3.632 4.924 -10.972 1.00 1.26 C ATOM 0 H LEU A 83 -5.426 5.695 -15.377 1.00 1.57 H new ATOM 0 HA LEU A 83 -4.710 2.978 -14.614 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -3.498 5.013 -13.836 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -4.966 5.583 -13.066 1.00 1.31 H new ATOM 0 HG LEU A 83 -4.902 3.381 -11.736 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -2.652 2.455 -11.360 1.00 1.86 H new ATOM 0 HD12 LEU A 83 -3.204 2.223 -13.036 1.00 1.86 H new ATOM 0 HD13 LEU A 83 -2.018 3.495 -12.657 1.00 1.86 H new ATOM 0 HD21 LEU A 83 -3.361 4.377 -10.069 1.00 1.26 H new ATOM 0 HD22 LEU A 83 -2.780 5.515 -11.307 1.00 1.26 H new ATOM 0 HD23 LEU A 83 -4.471 5.586 -10.758 1.00 1.26 H new ATOM 1351 N PRO A 84 -6.746 2.290 -13.213 1.00 1.33 N ATOM 1352 CA PRO A 84 -8.009 1.853 -12.617 1.00 1.29 C ATOM 1353 C PRO A 84 -8.236 2.506 -11.255 1.00 1.09 C ATOM 1354 O PRO A 84 -7.496 3.408 -10.853 1.00 1.15 O ATOM 1355 CB PRO A 84 -7.814 0.337 -12.470 1.00 1.58 C ATOM 1356 CG PRO A 84 -6.348 0.190 -12.267 1.00 1.75 C ATOM 1357 CD PRO A 84 -5.718 1.230 -13.154 1.00 1.64 C ATOM 0 HA PRO A 84 -8.878 2.123 -13.216 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -8.377 -0.059 -11.625 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -8.151 -0.198 -13.357 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -6.078 0.348 -11.223 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -6.012 -0.812 -12.535 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -4.781 1.600 -12.738 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -5.492 0.832 -14.143 1.00 1.64 H new ATOM 1365 N SER A 85 -9.253 2.052 -10.544 1.00 0.99 N ATOM 1366 CA SER A 85 -9.553 2.590 -9.228 1.00 0.88 C ATOM 1367 C SER A 85 -9.022 1.638 -8.168 1.00 0.63 C ATOM 1368 O SER A 85 -9.155 0.425 -8.301 1.00 0.82 O ATOM 1369 CB SER A 85 -11.061 2.789 -9.069 1.00 1.23 C ATOM 1370 OG SER A 85 -11.605 3.464 -10.193 1.00 1.43 O ATOM 0 H SER A 85 -9.884 1.313 -10.855 1.00 0.99 H new ATOM 0 HA SER A 85 -9.071 3.561 -9.111 1.00 0.88 H new ATOM 0 HB2 SER A 85 -11.549 1.822 -8.950 1.00 1.23 H new ATOM 0 HB3 SER A 85 -11.263 3.361 -8.164 1.00 1.23 H new ATOM 0 HG SER A 85 -12.570 3.579 -10.070 1.00 1.43 H new ATOM 1376 N PHE A 86 -8.391 2.161 -7.135 1.00 0.53 N ATOM 1377 CA PHE A 86 -7.822 1.303 -6.109 1.00 0.64 C ATOM 1378 C PHE A 86 -8.263 1.733 -4.713 1.00 0.57 C ATOM 1379 O PHE A 86 -8.139 2.891 -4.343 1.00 0.63 O ATOM 1380 CB PHE A 86 -6.295 1.320 -6.252 1.00 1.04 C ATOM 1381 CG PHE A 86 -5.540 0.549 -5.199 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.004 -0.668 -4.733 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -4.350 1.048 -4.684 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.305 -1.368 -3.770 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -3.645 0.348 -3.722 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.124 -0.857 -3.264 1.00 0.75 C ATOM 0 H PHE A 86 -8.259 3.161 -6.983 1.00 0.53 H new ATOM 0 HA PHE A 86 -8.185 0.284 -6.243 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -6.034 0.917 -7.231 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -5.956 2.356 -6.233 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.923 -1.075 -5.127 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -3.971 1.995 -5.039 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -5.681 -2.315 -3.412 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -2.720 0.747 -3.331 1.00 1.36 H new ATOM 0 HZ PHE A 86 -3.578 -1.404 -2.510 1.00 0.75 H new ATOM 1396 N ARG A 87 -8.774 0.783 -3.940 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.222 1.053 -2.582 1.00 0.57 C ATOM 1398 C ARG A 87 -8.684 -0.033 -1.658 1.00 0.57 C ATOM 1399 O ARG A 87 -8.513 -1.173 -2.093 1.00 0.79 O ATOM 1400 CB ARG A 87 -10.757 1.045 -2.492 1.00 0.68 C ATOM 1401 CG ARG A 87 -11.472 1.842 -3.579 1.00 1.18 C ATOM 1402 CD ARG A 87 -12.152 0.925 -4.578 1.00 1.24 C ATOM 1403 NE ARG A 87 -12.915 1.676 -5.565 1.00 1.36 N ATOM 1404 CZ ARG A 87 -13.701 1.112 -6.475 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -14.015 -0.169 -6.363 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -14.357 1.869 -7.337 1.00 2.41 N ATOM 0 H ARG A 87 -8.888 -0.187 -4.234 1.00 0.60 H new ATOM 0 HA ARG A 87 -8.855 2.037 -2.290 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.103 0.012 -2.533 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.051 1.441 -1.520 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -12.212 2.500 -3.123 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -10.755 2.479 -4.097 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -11.402 0.317 -5.084 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.815 0.239 -4.050 1.00 1.24 H new ATOM 0 HE ARG A 87 -12.842 2.693 -5.557 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -13.654 -0.716 -5.582 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -14.618 -0.609 -7.058 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -14.259 2.884 -7.302 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -14.961 1.439 -8.037 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.415 0.308 -0.402 1.00 0.52 N ATOM 1421 CA ILE A 88 -7.911 -0.666 0.566 1.00 0.54 C ATOM 1422 C ILE A 88 -8.588 -0.491 1.912 1.00 0.59 C ATOM 1423 O ILE A 88 -8.414 0.535 2.571 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.389 -0.574 0.749 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -5.915 0.878 0.617 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -5.699 -1.479 -0.250 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.428 1.063 0.841 1.00 0.74 C ATOM 0 H ILE A 88 -8.537 1.249 -0.029 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.145 -1.651 0.162 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.127 -0.910 1.752 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.171 1.244 -0.377 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.459 1.494 1.333 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -4.619 -1.411 -0.117 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.020 -2.508 -0.091 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -5.960 -1.170 -1.262 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.172 2.117 0.730 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.167 0.730 1.845 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -3.874 0.476 0.109 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.396 -1.472 2.300 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.132 -1.386 3.550 1.00 0.74 C ATOM 1441 C LYS A 89 -9.697 -2.452 4.547 1.00 0.85 C ATOM 1442 O LYS A 89 -9.710 -3.645 4.253 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.645 -1.491 3.304 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.125 -2.801 2.686 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.473 -3.206 3.254 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.070 -4.401 2.517 1.00 1.89 C ATOM 1447 NZ LYS A 89 -13.262 -5.648 2.664 1.00 2.46 N ATOM 0 H LYS A 89 -9.555 -2.329 1.770 1.00 0.62 H new ATOM 0 HA LYS A 89 -9.905 -0.411 3.981 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.160 -1.349 4.254 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -11.946 -0.671 2.652 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -12.200 -2.691 1.604 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -11.394 -3.587 2.877 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -13.362 -3.450 4.310 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -14.160 -2.362 3.192 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -15.078 -4.583 2.890 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -14.161 -4.158 1.458 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -13.806 -6.458 2.304 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -12.379 -5.555 2.122 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -13.038 -5.800 3.668 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.347 -2.027 5.761 1.00 1.06 N ATOM 1462 CA PRO A 90 -8.953 -2.910 6.841 1.00 1.30 C ATOM 1463 C PRO A 90 -10.189 -3.338 7.636 1.00 1.47 C ATOM 1464 O PRO A 90 -10.243 -3.171 8.852 1.00 1.94 O ATOM 1465 CB PRO A 90 -8.031 -2.020 7.698 1.00 1.59 C ATOM 1466 CG PRO A 90 -8.217 -0.619 7.197 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.350 -0.642 6.208 1.00 1.29 C ATOM 0 HA PRO A 90 -8.467 -3.827 6.507 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -8.291 -2.093 8.754 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -6.991 -2.332 7.603 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -8.441 0.057 8.022 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -7.304 -0.255 6.726 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -10.298 -0.366 6.670 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.184 0.051 5.384 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.198 -3.837 6.918 1.00 1.40 N ATOM 1476 CA LYS A 91 -12.468 -4.235 7.524 1.00 1.72 C ATOM 1477 C LYS A 91 -12.374 -5.557 8.275 1.00 2.02 C ATOM 1478 O LYS A 91 -12.931 -5.701 9.370 1.00 2.48 O ATOM 1479 CB LYS A 91 -13.541 -4.335 6.432 1.00 1.95 C ATOM 1480 CG LYS A 91 -14.947 -4.541 6.954 1.00 2.50 C ATOM 1481 CD LYS A 91 -15.324 -3.455 7.933 1.00 2.94 C ATOM 1482 CE LYS A 91 -16.761 -3.602 8.400 1.00 3.58 C ATOM 1483 NZ LYS A 91 -17.147 -2.512 9.334 1.00 4.13 N ATOM 0 H LYS A 91 -11.158 -3.975 5.908 1.00 1.40 H new ATOM 0 HA LYS A 91 -12.735 -3.472 8.255 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -13.519 -3.425 5.833 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -13.289 -5.161 5.766 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -15.651 -4.546 6.122 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -15.020 -5.514 7.439 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -14.655 -3.491 8.793 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -15.190 -2.480 7.465 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -17.427 -3.595 7.537 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -16.887 -4.566 8.893 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -17.851 -2.869 10.012 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -16.306 -2.182 9.849 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -17.555 -1.721 8.795 1.00 4.13 H new ATOM 1497 N ASP A 92 -11.701 -6.529 7.687 1.00 2.34 N ATOM 1498 CA ASP A 92 -11.570 -7.831 8.304 1.00 2.92 C ATOM 1499 C ASP A 92 -10.225 -8.458 7.987 1.00 2.79 C ATOM 1500 O ASP A 92 -9.920 -8.722 6.822 1.00 3.27 O ATOM 1501 CB ASP A 92 -12.684 -8.740 7.809 1.00 3.81 C ATOM 1502 CG ASP A 92 -12.669 -10.101 8.474 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -12.785 -10.168 9.717 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -12.534 -11.113 7.753 1.00 5.11 O ATOM 0 H ASP A 92 -11.237 -6.439 6.783 1.00 2.34 H new ATOM 0 HA ASP A 92 -11.641 -7.706 9.384 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -13.646 -8.261 7.992 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -12.591 -8.866 6.730 1.00 3.81 H new ATOM 1509 N PHE A 93 -9.443 -8.697 9.032 1.00 2.71 N ATOM 1510 CA PHE A 93 -8.124 -9.310 8.917 1.00 2.95 C ATOM 1511 C PHE A 93 -7.453 -9.285 10.278 1.00 3.05 C ATOM 1512 O PHE A 93 -7.578 -8.299 11.011 1.00 3.30 O ATOM 1513 CB PHE A 93 -7.259 -8.576 7.880 1.00 3.27 C ATOM 1514 CG PHE A 93 -6.057 -9.358 7.422 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -4.892 -9.389 8.172 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -6.103 -10.072 6.241 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -3.797 -10.119 7.749 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -5.013 -10.805 5.811 1.00 5.30 C ATOM 1519 CZ PHE A 93 -3.858 -10.829 6.567 1.00 5.69 C ATOM 0 H PHE A 93 -9.707 -8.470 9.991 1.00 2.71 H new ATOM 0 HA PHE A 93 -8.238 -10.340 8.578 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -7.875 -8.335 7.013 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -6.924 -7.630 8.306 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -4.839 -8.836 9.098 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -7.003 -10.057 5.645 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -2.895 -10.134 8.343 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -5.065 -11.358 4.885 1.00 5.30 H new ATOM 0 HZ PHE A 93 -3.005 -11.402 6.234 1.00 5.69 H new ATOM 1529 N GLU A 94 -6.769 -10.364 10.618 1.00 3.44 N ATOM 1530 CA GLU A 94 -6.093 -10.462 11.898 1.00 3.96 C ATOM 1531 C GLU A 94 -5.059 -9.348 12.030 1.00 3.75 C ATOM 1532 O GLU A 94 -4.060 -9.332 11.314 1.00 4.15 O ATOM 1533 CB GLU A 94 -5.434 -11.837 12.063 1.00 4.82 C ATOM 1534 CG GLU A 94 -6.412 -13.006 11.984 1.00 5.73 C ATOM 1535 CD GLU A 94 -6.633 -13.517 10.568 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -7.152 -12.761 9.718 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -6.286 -14.683 10.298 1.00 7.20 O ATOM 0 H GLU A 94 -6.668 -11.186 10.023 1.00 3.44 H new ATOM 0 HA GLU A 94 -6.832 -10.348 12.691 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -4.674 -11.959 11.291 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -4.921 -11.870 13.024 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -6.040 -13.823 12.603 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -7.369 -12.698 12.404 1.00 5.73 H new ATOM 1544 N THR A 95 -5.333 -8.408 12.934 1.00 3.56 N ATOM 1545 CA THR A 95 -4.460 -7.264 13.167 1.00 3.57 C ATOM 1546 C THR A 95 -4.375 -6.402 11.907 1.00 3.11 C ATOM 1547 O THR A 95 -3.364 -6.388 11.201 1.00 3.46 O ATOM 1548 CB THR A 95 -3.070 -7.724 13.621 1.00 4.37 C ATOM 1549 OG1 THR A 95 -3.189 -8.717 14.626 1.00 4.92 O ATOM 1550 CG2 THR A 95 -2.229 -6.620 14.204 1.00 4.79 C ATOM 0 H THR A 95 -6.166 -8.420 13.523 1.00 3.56 H new ATOM 0 HA THR A 95 -4.883 -6.657 13.968 1.00 3.57 H new ATOM 0 HB THR A 95 -2.584 -8.099 12.720 1.00 4.37 H new ATOM 0 HG1 THR A 95 -2.296 -9.006 14.908 1.00 4.92 H new ATOM 0 HG21 THR A 95 -1.260 -7.020 14.503 1.00 4.79 H new ATOM 0 HG22 THR A 95 -2.085 -5.839 13.457 1.00 4.79 H new ATOM 0 HG23 THR A 95 -2.732 -6.200 15.075 1.00 4.79 H new ATOM 1558 N SER A 96 -5.451 -5.667 11.658 1.00 2.83 N ATOM 1559 CA SER A 96 -5.546 -4.772 10.521 1.00 2.92 C ATOM 1560 C SER A 96 -6.539 -3.663 10.863 1.00 2.63 C ATOM 1561 O SER A 96 -6.259 -2.486 10.686 1.00 2.95 O ATOM 1562 CB SER A 96 -5.999 -5.523 9.266 1.00 3.49 C ATOM 1563 OG SER A 96 -5.020 -6.442 8.825 1.00 4.05 O ATOM 0 H SER A 96 -6.285 -5.678 12.245 1.00 2.83 H new ATOM 0 HA SER A 96 -4.565 -4.347 10.311 1.00 2.92 H new ATOM 0 HB2 SER A 96 -6.928 -6.053 9.475 1.00 3.49 H new ATOM 0 HB3 SER A 96 -6.212 -4.808 8.471 1.00 3.49 H new ATOM 0 HG SER A 96 -4.271 -6.451 9.457 1.00 4.05 H new ATOM 1569 N GLU A 97 -7.696 -4.081 11.362 1.00 2.52 N ATOM 1570 CA GLU A 97 -8.764 -3.155 11.753 1.00 2.71 C ATOM 1571 C GLU A 97 -8.243 -2.227 12.849 1.00 2.41 C ATOM 1572 O GLU A 97 -8.619 -1.066 12.940 1.00 2.64 O ATOM 1573 CB GLU A 97 -9.991 -3.936 12.238 1.00 3.26 C ATOM 1574 CG GLU A 97 -11.339 -3.304 11.867 1.00 3.93 C ATOM 1575 CD GLU A 97 -11.885 -2.349 12.914 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -11.467 -1.177 12.940 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -12.743 -2.771 13.723 1.00 4.86 O ATOM 0 H GLU A 97 -7.924 -5.064 11.508 1.00 2.52 H new ATOM 0 HA GLU A 97 -9.066 -2.557 10.893 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -9.951 -4.943 11.824 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -9.937 -4.035 13.322 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -11.230 -2.768 10.924 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -12.067 -4.098 11.700 1.00 3.93 H new ATOM 1584 N TYR A 98 -7.339 -2.751 13.659 1.00 2.15 N ATOM 1585 CA TYR A 98 -6.730 -1.980 14.731 1.00 1.95 C ATOM 1586 C TYR A 98 -5.701 -1.013 14.179 1.00 1.56 C ATOM 1587 O TYR A 98 -5.740 0.177 14.484 1.00 1.45 O ATOM 1588 CB TYR A 98 -6.068 -2.899 15.764 1.00 2.16 C ATOM 1589 CG TYR A 98 -7.045 -3.673 16.624 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -7.942 -4.574 16.063 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -7.075 -3.495 18.003 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -8.836 -5.271 16.847 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -7.970 -4.190 18.791 1.00 4.46 C ATOM 1594 CZ TYR A 98 -8.847 -5.074 18.208 1.00 4.66 C ATOM 1595 OH TYR A 98 -9.734 -5.769 18.991 1.00 5.65 O ATOM 0 H TYR A 98 -7.008 -3.714 13.594 1.00 2.15 H new ATOM 0 HA TYR A 98 -7.523 -1.416 15.221 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -5.421 -3.605 15.243 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -5.429 -2.298 16.411 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -7.939 -4.731 14.994 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -6.387 -2.802 18.465 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -9.525 -5.969 16.394 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -7.981 -4.040 19.860 1.00 4.46 H new ATOM 0 HH TYR A 98 -9.611 -5.515 19.929 1.00 5.65 H new ATOM 1605 N VAL A 99 -4.781 -1.508 13.357 1.00 1.54 N ATOM 1606 CA VAL A 99 -3.754 -0.652 12.780 1.00 1.34 C ATOM 1607 C VAL A 99 -4.365 0.314 11.767 1.00 1.17 C ATOM 1608 O VAL A 99 -3.712 1.236 11.299 1.00 1.04 O ATOM 1609 CB VAL A 99 -2.634 -1.486 12.113 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -1.956 -2.371 13.151 1.00 1.91 C ATOM 1611 CG2 VAL A 99 -3.190 -2.338 10.981 1.00 1.76 C ATOM 0 H VAL A 99 -4.726 -2.488 13.078 1.00 1.54 H new ATOM 0 HA VAL A 99 -3.310 -0.077 13.592 1.00 1.34 H new ATOM 0 HB VAL A 99 -1.899 -0.799 11.692 1.00 1.65 H new ATOM 0 HG11 VAL A 99 -1.169 -2.955 12.673 1.00 1.91 H new ATOM 0 HG12 VAL A 99 -1.522 -1.748 13.933 1.00 1.91 H new ATOM 0 HG13 VAL A 99 -2.691 -3.045 13.591 1.00 1.91 H new ATOM 0 HG21 VAL A 99 -2.383 -2.914 10.529 1.00 1.76 H new ATOM 0 HG22 VAL A 99 -3.945 -3.018 11.375 1.00 1.76 H new ATOM 0 HG23 VAL A 99 -3.641 -1.692 10.227 1.00 1.76 H new ATOM 1621 N ARG A 100 -5.644 0.097 11.470 1.00 1.36 N ATOM 1622 CA ARG A 100 -6.407 0.926 10.549 1.00 1.42 C ATOM 1623 C ARG A 100 -6.360 2.376 11.007 1.00 1.31 C ATOM 1624 O ARG A 100 -6.207 3.299 10.202 1.00 1.31 O ATOM 1625 CB ARG A 100 -7.836 0.389 10.513 1.00 1.78 C ATOM 1626 CG ARG A 100 -8.920 1.362 10.097 1.00 2.37 C ATOM 1627 CD ARG A 100 -10.254 0.885 10.663 1.00 3.01 C ATOM 1628 NE ARG A 100 -11.405 1.645 10.200 1.00 3.48 N ATOM 1629 CZ ARG A 100 -12.613 1.519 10.751 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -12.723 0.980 11.962 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -13.656 2.148 10.225 1.00 4.93 N ATOM 0 H ARG A 100 -6.184 -0.671 11.869 1.00 1.36 H new ATOM 0 HA ARG A 100 -5.987 0.891 9.544 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -7.863 -0.461 9.831 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -8.082 0.010 11.505 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -8.690 2.362 10.464 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -8.973 1.426 9.010 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -10.394 -0.163 10.398 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -10.213 0.936 11.751 1.00 3.01 H new ATOM 0 HE ARG A 100 -11.284 2.298 9.426 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -11.889 0.668 12.459 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -13.642 0.879 12.394 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -13.536 2.730 9.396 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -14.578 2.049 10.649 1.00 4.93 H new ATOM 1645 N LYS A 101 -6.438 2.542 12.324 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.364 3.855 12.955 1.00 1.43 C ATOM 1647 C LYS A 101 -4.978 4.437 12.748 1.00 1.27 C ATOM 1648 O LYS A 101 -4.814 5.645 12.582 1.00 1.40 O ATOM 1649 CB LYS A 101 -6.626 3.748 14.455 1.00 1.68 C ATOM 1650 CG LYS A 101 -8.047 3.352 14.802 1.00 2.35 C ATOM 1651 CD LYS A 101 -8.093 2.408 15.988 1.00 2.61 C ATOM 1652 CE LYS A 101 -7.371 2.967 17.205 1.00 2.79 C ATOM 1653 NZ LYS A 101 -8.144 4.041 17.890 1.00 3.24 N ATOM 0 H LYS A 101 -6.554 1.772 12.982 1.00 1.34 H new ATOM 0 HA LYS A 101 -7.120 4.497 12.502 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -5.940 3.016 14.883 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -6.402 4.707 14.923 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -8.629 4.246 15.026 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.513 2.875 13.939 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -9.132 2.206 16.247 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -7.643 1.456 15.708 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -7.177 2.159 17.910 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -6.402 3.362 16.898 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -7.607 4.386 18.711 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -8.308 4.827 17.229 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -9.058 3.661 18.209 1.00 3.24 H new ATOM 1667 N ALA A 102 -3.987 3.549 12.765 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.588 3.940 12.589 1.00 1.11 C ATOM 1669 C ALA A 102 -2.180 4.006 11.115 1.00 0.99 C ATOM 1670 O ALA A 102 -1.065 4.398 10.808 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.660 2.991 13.354 1.00 1.22 C ATOM 0 H ALA A 102 -4.127 2.548 12.900 1.00 1.11 H new ATOM 0 HA ALA A 102 -2.488 4.945 12.998 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -0.625 3.300 13.210 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -1.903 3.022 14.416 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.791 1.975 12.981 1.00 1.22 H new ATOM 1677 N TRP A 103 -3.103 3.738 10.198 1.00 0.97 N ATOM 1678 CA TRP A 103 -2.784 3.888 8.781 1.00 1.01 C ATOM 1679 C TRP A 103 -3.290 5.249 8.363 1.00 0.93 C ATOM 1680 O TRP A 103 -2.783 5.871 7.423 1.00 1.00 O ATOM 1681 CB TRP A 103 -3.344 2.767 7.894 1.00 1.40 C ATOM 1682 CG TRP A 103 -2.419 1.568 7.797 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -2.242 0.587 8.733 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -1.523 1.234 6.710 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -1.307 -0.321 8.299 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -0.853 0.050 7.066 1.00 0.92 C ATOM 1687 CE3 TRP A 103 -1.222 1.811 5.472 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 0.093 -0.563 6.239 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 -0.279 1.196 4.656 1.00 0.73 C ATOM 1690 CH2 TRP A 103 0.365 0.028 5.037 1.00 0.98 C ATOM 0 H TRP A 103 -4.052 3.424 10.400 1.00 0.97 H new ATOM 0 HA TRP A 103 -1.705 3.808 8.645 1.00 1.01 H new ATOM 0 HB2 TRP A 103 -4.307 2.445 8.290 1.00 1.40 H new ATOM 0 HB3 TRP A 103 -3.526 3.160 6.894 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.763 0.534 9.678 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -1.000 -1.144 8.817 1.00 1.16 H new ATOM 0 HE3 TRP A 103 -1.714 2.719 5.155 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 0.592 -1.472 6.540 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 -0.042 1.639 3.700 1.00 0.73 H new ATOM 0 HH2 TRP A 103 1.091 -0.420 4.375 1.00 0.98 H new ATOM 1701 N LEU A 104 -4.252 5.739 9.142 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.829 7.041 8.976 1.00 1.12 C ATOM 1703 C LEU A 104 -3.858 8.110 9.484 1.00 1.10 C ATOM 1704 O LEU A 104 -4.255 9.141 10.014 1.00 1.40 O ATOM 1705 CB LEU A 104 -6.121 7.072 9.753 1.00 1.35 C ATOM 1706 CG LEU A 104 -7.180 6.065 9.295 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -8.348 6.019 10.275 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.664 6.403 7.899 1.00 1.69 C ATOM 0 H LEU A 104 -4.651 5.216 9.922 1.00 0.95 H new ATOM 0 HA LEU A 104 -5.026 7.248 7.924 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.899 6.889 10.804 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -6.543 8.075 9.686 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.722 5.076 9.271 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -9.086 5.297 9.927 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -7.986 5.722 11.259 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -8.808 7.005 10.340 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -8.416 5.677 7.589 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -8.101 7.402 7.897 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -6.824 6.373 7.205 1.00 1.69 H new ATOM 1720 N ARG A 105 -2.585 7.822 9.294 1.00 1.01 N ATOM 1721 CA ARG A 105 -1.494 8.684 9.693 1.00 1.18 C ATOM 1722 C ARG A 105 -0.316 8.440 8.764 1.00 1.08 C ATOM 1723 O ARG A 105 0.403 9.369 8.417 1.00 1.21 O ATOM 1724 CB ARG A 105 -1.071 8.410 11.135 1.00 1.38 C ATOM 1725 CG ARG A 105 0.151 9.216 11.559 1.00 2.01 C ATOM 1726 CD ARG A 105 0.610 8.871 12.965 1.00 2.29 C ATOM 1727 NE ARG A 105 1.874 9.537 13.307 1.00 2.86 N ATOM 1728 CZ ARG A 105 2.405 9.530 14.523 1.00 3.68 C ATOM 1729 NH1 ARG A 105 1.708 9.040 15.539 1.00 4.09 N ATOM 1730 NH2 ARG A 105 3.558 10.142 14.751 1.00 4.52 N ATOM 0 H ARG A 105 -2.275 6.960 8.846 1.00 1.01 H new ATOM 0 HA ARG A 105 -1.824 9.721 9.630 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -1.902 8.641 11.802 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -0.857 7.347 11.250 1.00 1.38 H new ATOM 0 HG2 ARG A 105 0.965 9.033 10.858 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -0.082 10.280 11.506 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -0.159 9.163 13.680 1.00 2.29 H new ATOM 0 HD3 ARG A 105 0.733 7.791 13.052 1.00 2.29 H new ATOM 0 HE ARG A 105 2.372 10.033 12.568 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.770 8.672 15.383 1.00 4.09 H new ATOM 0 HH12 ARG A 105 2.110 9.032 16.476 1.00 4.09 H new ATOM 0 HH21 ARG A 105 4.040 10.621 13.990 1.00 4.52 H new ATOM 0 HH22 ARG A 105 3.963 10.134 15.687 1.00 4.52 H new ATOM 1744 N ASP A 106 -0.138 7.189 8.332 1.00 0.95 N ATOM 1745 CA ASP A 106 0.945 6.844 7.411 1.00 0.99 C ATOM 1746 C ASP A 106 0.785 7.608 6.105 1.00 0.96 C ATOM 1747 O ASP A 106 1.742 7.801 5.360 1.00 1.17 O ATOM 1748 CB ASP A 106 0.999 5.334 7.143 1.00 1.09 C ATOM 1749 CG ASP A 106 1.706 4.556 8.243 1.00 1.46 C ATOM 1750 OD1 ASP A 106 1.175 4.475 9.368 1.00 2.18 O ATOM 1751 OD2 ASP A 106 2.817 4.047 7.994 1.00 1.76 O ATOM 0 H ASP A 106 -0.727 6.402 8.604 1.00 0.95 H new ATOM 0 HA ASP A 106 1.887 7.130 7.880 1.00 0.99 H new ATOM 0 HB2 ASP A 106 -0.017 4.954 7.033 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.509 5.157 6.196 1.00 1.09 H new ATOM 1756 N ILE A 107 -0.435 8.069 5.873 1.00 0.92 N ATOM 1757 CA ILE A 107 -0.764 8.866 4.703 1.00 1.04 C ATOM 1758 C ILE A 107 -0.727 10.346 5.093 1.00 1.23 C ATOM 1759 O ILE A 107 -0.254 11.199 4.343 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.171 8.491 4.152 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -2.065 7.380 3.108 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -2.890 9.697 3.566 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.654 6.038 3.670 1.00 1.45 C ATOM 0 H ILE A 107 -1.227 7.900 6.494 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.036 8.668 3.916 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.761 8.130 4.994 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -3.028 7.273 2.609 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.344 7.679 2.348 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -3.868 9.392 3.193 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -3.017 10.456 4.338 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -2.301 10.109 2.746 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -1.603 5.306 2.864 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.676 6.126 4.143 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -2.387 5.713 4.409 1.00 1.45 H new ATOM 1775 N ALA A 108 -1.259 10.623 6.289 1.00 1.25 N ATOM 1776 CA ALA A 108 -1.347 11.980 6.845 1.00 1.52 C ATOM 1777 C ALA A 108 0.022 12.631 7.035 1.00 1.59 C ATOM 1778 O ALA A 108 0.121 13.828 7.318 1.00 1.92 O ATOM 1779 CB ALA A 108 -2.076 11.935 8.178 1.00 1.62 C ATOM 0 H ALA A 108 -1.644 9.906 6.904 1.00 1.25 H new ATOM 0 HA ALA A 108 -1.897 12.588 6.126 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -2.142 12.942 8.591 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -3.080 11.537 8.030 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -1.530 11.294 8.870 1.00 1.62 H new ATOM 1785 N GLU A 109 1.059 11.832 6.879 1.00 1.39 N ATOM 1786 CA GLU A 109 2.432 12.288 7.023 1.00 1.50 C ATOM 1787 C GLU A 109 3.369 11.302 6.333 1.00 1.43 C ATOM 1788 O GLU A 109 4.400 10.912 6.885 1.00 1.70 O ATOM 1789 CB GLU A 109 2.801 12.418 8.506 1.00 1.69 C ATOM 1790 CG GLU A 109 2.524 11.151 9.291 1.00 1.73 C ATOM 1791 CD GLU A 109 2.888 11.253 10.749 1.00 2.07 C ATOM 1792 OE1 GLU A 109 2.317 12.112 11.450 1.00 2.40 O ATOM 1793 OE2 GLU A 109 3.725 10.454 11.210 1.00 2.56 O ATOM 0 H GLU A 109 0.975 10.842 6.647 1.00 1.39 H new ATOM 0 HA GLU A 109 2.532 13.269 6.558 1.00 1.50 H new ATOM 0 HB2 GLU A 109 3.858 12.670 8.592 1.00 1.69 H new ATOM 0 HB3 GLU A 109 2.239 13.243 8.945 1.00 1.69 H new ATOM 0 HG2 GLU A 109 1.466 10.905 9.206 1.00 1.73 H new ATOM 0 HG3 GLU A 109 3.080 10.327 8.843 1.00 1.73 H new ATOM 1800 N GLU A 110 3.006 10.914 5.112 1.00 1.49 N ATOM 1801 CA GLU A 110 3.817 9.986 4.334 1.00 1.63 C ATOM 1802 C GLU A 110 5.201 10.589 4.095 1.00 1.78 C ATOM 1803 O GLU A 110 5.354 11.814 4.013 1.00 2.20 O ATOM 1804 CB GLU A 110 3.114 9.629 3.023 1.00 2.09 C ATOM 1805 CG GLU A 110 2.630 10.834 2.250 1.00 2.83 C ATOM 1806 CD GLU A 110 2.036 10.466 0.913 1.00 3.38 C ATOM 1807 OE1 GLU A 110 2.723 9.786 0.127 1.00 3.86 O ATOM 1808 OE2 GLU A 110 0.903 10.904 0.628 1.00 3.86 O ATOM 0 H GLU A 110 2.157 11.228 4.643 1.00 1.49 H new ATOM 0 HA GLU A 110 3.945 9.058 4.892 1.00 1.63 H new ATOM 0 HB2 GLU A 110 3.799 9.057 2.397 1.00 2.09 H new ATOM 0 HB3 GLU A 110 2.264 8.982 3.240 1.00 2.09 H new ATOM 0 HG2 GLU A 110 1.884 11.364 2.841 1.00 2.83 H new ATOM 0 HG3 GLU A 110 3.462 11.521 2.097 1.00 2.83 H new ATOM 1815 N GLN A 111 6.209 9.730 4.087 1.00 1.93 N ATOM 1816 CA GLN A 111 7.593 10.160 3.980 1.00 2.44 C ATOM 1817 C GLN A 111 7.954 10.952 2.717 1.00 2.84 C ATOM 1818 O GLN A 111 8.691 11.933 2.827 1.00 3.22 O ATOM 1819 CB GLN A 111 8.548 8.989 4.149 1.00 2.97 C ATOM 1820 CG GLN A 111 9.952 9.474 4.391 1.00 3.66 C ATOM 1821 CD GLN A 111 10.862 8.407 4.964 1.00 4.54 C ATOM 1822 OE1 GLN A 111 11.036 7.338 4.382 1.00 5.12 O ATOM 1823 NE2 GLN A 111 11.455 8.694 6.110 1.00 5.02 N ATOM 0 H GLN A 111 6.091 8.719 4.154 1.00 1.93 H new ATOM 0 HA GLN A 111 7.707 10.867 4.802 1.00 2.44 H new ATOM 0 HB2 GLN A 111 8.224 8.368 4.984 1.00 2.97 H new ATOM 0 HB3 GLN A 111 8.524 8.363 3.257 1.00 2.97 H new ATOM 0 HG2 GLN A 111 10.372 9.834 3.452 1.00 3.66 H new ATOM 0 HG3 GLN A 111 9.923 10.323 5.074 1.00 3.66 H new ATOM 0 HE21 GLN A 111 11.284 9.593 6.562 1.00 5.02 H new ATOM 0 HE22 GLN A 111 12.083 8.017 6.543 1.00 5.02 H new ATOM 1832 N GLU A 112 7.482 10.563 1.533 1.00 3.29 N ATOM 1833 CA GLU A 112 7.844 11.320 0.322 1.00 4.12 C ATOM 1834 C GLU A 112 7.447 12.785 0.467 1.00 4.19 C ATOM 1835 O GLU A 112 8.076 13.685 -0.095 1.00 4.69 O ATOM 1836 CB GLU A 112 7.182 10.752 -0.930 1.00 5.03 C ATOM 1837 CG GLU A 112 7.890 9.532 -1.501 1.00 5.36 C ATOM 1838 CD GLU A 112 9.358 9.797 -1.812 1.00 6.31 C ATOM 1839 OE1 GLU A 112 9.659 10.788 -2.514 1.00 6.81 O ATOM 1840 OE2 GLU A 112 10.216 9.000 -1.380 1.00 6.83 O ATOM 0 H GLU A 112 6.871 9.761 1.381 1.00 3.29 H new ATOM 0 HA GLU A 112 8.925 11.234 0.211 1.00 4.12 H new ATOM 0 HB2 GLU A 112 6.151 10.485 -0.695 1.00 5.03 H new ATOM 0 HB3 GLU A 112 7.144 11.529 -1.694 1.00 5.03 H new ATOM 0 HG2 GLU A 112 7.816 8.708 -0.791 1.00 5.36 H new ATOM 0 HG3 GLU A 112 7.381 9.215 -2.411 1.00 5.36 H new ATOM 1847 N LYS A 113 6.377 12.991 1.216 1.00 3.97 N ATOM 1848 CA LYS A 113 5.807 14.305 1.469 1.00 4.36 C ATOM 1849 C LYS A 113 6.656 15.142 2.421 1.00 4.15 C ATOM 1850 O LYS A 113 6.357 16.318 2.653 1.00 4.65 O ATOM 1851 CB LYS A 113 4.394 14.113 2.016 1.00 4.79 C ATOM 1852 CG LYS A 113 3.345 13.948 0.910 1.00 5.55 C ATOM 1853 CD LYS A 113 3.817 12.977 -0.175 1.00 5.63 C ATOM 1854 CE LYS A 113 2.994 13.050 -1.447 1.00 6.48 C ATOM 1855 NZ LYS A 113 1.582 12.668 -1.231 1.00 7.06 N ATOM 0 H LYS A 113 5.869 12.235 1.675 1.00 3.97 H new ATOM 0 HA LYS A 113 5.780 14.862 0.532 1.00 4.36 H new ATOM 0 HB2 LYS A 113 4.376 13.235 2.662 1.00 4.79 H new ATOM 0 HB3 LYS A 113 4.130 14.970 2.636 1.00 4.79 H new ATOM 0 HG2 LYS A 113 2.413 13.585 1.343 1.00 5.55 H new ATOM 0 HG3 LYS A 113 3.132 14.919 0.462 1.00 5.55 H new ATOM 0 HD2 LYS A 113 4.860 13.188 -0.413 1.00 5.63 H new ATOM 0 HD3 LYS A 113 3.779 11.960 0.216 1.00 5.63 H new ATOM 0 HE2 LYS A 113 3.036 14.064 -1.845 1.00 6.48 H new ATOM 0 HE3 LYS A 113 3.434 12.394 -2.198 1.00 6.48 H new ATOM 0 HZ1 LYS A 113 1.349 11.847 -1.826 1.00 7.06 H new ATOM 0 HZ2 LYS A 113 1.438 12.422 -0.231 1.00 7.06 H new ATOM 0 HZ3 LYS A 113 0.964 13.465 -1.484 1.00 7.06 H new ATOM 1869 N TYR A 114 7.724 14.551 2.948 1.00 3.80 N ATOM 1870 CA TYR A 114 8.630 15.267 3.850 1.00 4.21 C ATOM 1871 C TYR A 114 9.240 16.451 3.117 1.00 4.57 C ATOM 1872 O TYR A 114 9.564 17.475 3.719 1.00 5.17 O ATOM 1873 CB TYR A 114 9.739 14.349 4.390 1.00 4.58 C ATOM 1874 CG TYR A 114 9.393 13.665 5.694 1.00 5.45 C ATOM 1875 CD1 TYR A 114 8.193 12.984 5.850 1.00 5.90 C ATOM 1876 CD2 TYR A 114 10.276 13.689 6.763 1.00 6.18 C ATOM 1877 CE1 TYR A 114 7.883 12.347 7.038 1.00 6.94 C ATOM 1878 CE2 TYR A 114 9.974 13.057 7.954 1.00 7.17 C ATOM 1879 CZ TYR A 114 8.776 12.387 8.089 1.00 7.49 C ATOM 1880 OH TYR A 114 8.478 11.754 9.279 1.00 8.62 O ATOM 0 H TYR A 114 7.986 13.582 2.769 1.00 3.80 H new ATOM 0 HA TYR A 114 8.053 15.618 4.705 1.00 4.21 H new ATOM 0 HB2 TYR A 114 9.963 13.589 3.642 1.00 4.58 H new ATOM 0 HB3 TYR A 114 10.646 14.936 4.530 1.00 4.58 H new ATOM 0 HD1 TYR A 114 7.490 12.951 5.030 1.00 5.90 H new ATOM 0 HD2 TYR A 114 11.216 14.211 6.663 1.00 6.18 H new ATOM 0 HE1 TYR A 114 6.946 11.821 7.142 1.00 6.94 H new ATOM 0 HE2 TYR A 114 10.674 13.088 8.776 1.00 7.17 H new ATOM 0 HH TYR A 114 9.216 11.881 9.911 1.00 8.62 H new ATOM 1890 N ALA A 115 9.352 16.307 1.802 1.00 4.51 N ATOM 1891 CA ALA A 115 9.875 17.359 0.952 1.00 5.16 C ATOM 1892 C ALA A 115 8.817 18.438 0.780 1.00 5.46 C ATOM 1893 O ALA A 115 7.735 18.178 0.247 1.00 5.73 O ATOM 1894 CB ALA A 115 10.286 16.788 -0.398 1.00 5.63 C ATOM 0 H ALA A 115 9.083 15.460 1.301 1.00 4.51 H new ATOM 0 HA ALA A 115 10.758 17.798 1.417 1.00 5.16 H new ATOM 0 HB1 ALA A 115 10.677 17.587 -1.027 1.00 5.63 H new ATOM 0 HB2 ALA A 115 11.056 16.030 -0.253 1.00 5.63 H new ATOM 0 HB3 ALA A 115 9.419 16.337 -0.881 1.00 5.63 H new ATOM 1900 N ALA A 116 9.123 19.637 1.258 1.00 5.86 N ATOM 1901 CA ALA A 116 8.192 20.760 1.182 1.00 6.58 C ATOM 1902 C ALA A 116 8.116 21.327 -0.232 1.00 7.22 C ATOM 1903 O ALA A 116 8.409 22.502 -0.460 1.00 7.70 O ATOM 1904 CB ALA A 116 8.595 21.848 2.171 1.00 7.03 C ATOM 0 H ALA A 116 10.013 19.859 1.705 1.00 5.86 H new ATOM 0 HA ALA A 116 7.201 20.392 1.445 1.00 6.58 H new ATOM 0 HB1 ALA A 116 7.893 22.679 2.104 1.00 7.03 H new ATOM 0 HB2 ALA A 116 8.582 21.443 3.183 1.00 7.03 H new ATOM 0 HB3 ALA A 116 9.599 22.201 1.934 1.00 7.03 H new ATOM 1910 N GLU A 117 7.716 20.487 -1.171 1.00 7.53 N ATOM 1911 CA GLU A 117 7.592 20.891 -2.561 1.00 8.41 C ATOM 1912 C GLU A 117 6.182 20.626 -3.070 1.00 9.09 C ATOM 1913 O GLU A 117 5.522 19.670 -2.648 1.00 9.58 O ATOM 1914 CB GLU A 117 8.608 20.147 -3.430 1.00 8.83 C ATOM 1915 CG GLU A 117 10.055 20.423 -3.053 1.00 9.18 C ATOM 1916 CD GLU A 117 11.050 19.604 -3.850 1.00 9.82 C ATOM 1917 OE1 GLU A 117 10.630 18.811 -4.720 1.00 9.94 O ATOM 1918 OE2 GLU A 117 12.268 19.744 -3.602 1.00 10.40 O ATOM 0 H GLU A 117 7.470 19.513 -0.994 1.00 7.53 H new ATOM 0 HA GLU A 117 7.794 21.960 -2.623 1.00 8.41 H new ATOM 0 HB2 GLU A 117 8.421 19.076 -3.356 1.00 8.83 H new ATOM 0 HB3 GLU A 117 8.454 20.426 -4.472 1.00 8.83 H new ATOM 0 HG2 GLU A 117 10.266 21.482 -3.201 1.00 9.18 H new ATOM 0 HG3 GLU A 117 10.192 20.216 -1.992 1.00 9.18 H new ATOM 1925 N ARG A 118 5.719 21.485 -3.966 1.00 9.35 N ATOM 1926 CA ARG A 118 4.383 21.360 -4.532 1.00 10.23 C ATOM 1927 C ARG A 118 4.423 20.582 -5.843 1.00 10.76 C ATOM 1928 O ARG A 118 3.900 19.464 -5.937 1.00 11.00 O ATOM 1929 CB ARG A 118 3.772 22.745 -4.764 1.00 10.61 C ATOM 1930 CG ARG A 118 3.928 23.677 -3.574 1.00 11.18 C ATOM 1931 CD ARG A 118 3.316 25.047 -3.840 1.00 11.87 C ATOM 1932 NE ARG A 118 3.761 26.050 -2.863 1.00 12.16 N ATOM 1933 CZ ARG A 118 3.445 26.013 -1.565 1.00 12.66 C ATOM 1934 NH1 ARG A 118 2.429 25.261 -1.160 1.00 12.91 N ATOM 1935 NH2 ARG A 118 3.938 26.926 -0.736 1.00 13.09 N ATOM 0 H ARG A 118 6.252 22.280 -4.319 1.00 9.35 H new ATOM 0 HA ARG A 118 3.762 20.813 -3.822 1.00 10.23 H new ATOM 0 HB2 ARG A 118 4.241 23.200 -5.637 1.00 10.61 H new ATOM 0 HB3 ARG A 118 2.712 22.633 -4.993 1.00 10.61 H new ATOM 0 HG2 ARG A 118 3.454 23.231 -2.700 1.00 11.18 H new ATOM 0 HG3 ARG A 118 4.986 23.792 -3.339 1.00 11.18 H new ATOM 0 HD2 ARG A 118 3.585 25.375 -4.844 1.00 11.87 H new ATOM 0 HD3 ARG A 118 2.229 24.970 -3.811 1.00 11.87 H new ATOM 0 HE ARG A 118 4.344 26.818 -3.194 1.00 12.16 H new ATOM 0 HH11 ARG A 118 1.896 24.717 -1.838 1.00 12.91 H new ATOM 0 HH12 ARG A 118 2.182 25.228 -0.171 1.00 12.91 H new ATOM 0 HH21 ARG A 118 4.557 27.655 -1.090 1.00 13.09 H new ATOM 0 HH22 ARG A 118 3.697 26.898 0.255 1.00 13.09 H new ATOM 1949 N ASP A 119 5.050 21.175 -6.849 1.00 11.16 N ATOM 1950 CA ASP A 119 5.173 20.552 -8.156 1.00 11.89 C ATOM 1951 C ASP A 119 6.405 21.085 -8.870 1.00 12.21 C ATOM 1952 O ASP A 119 7.222 20.271 -9.342 1.00 0.00 O ATOM 1953 CB ASP A 119 3.922 20.814 -9.001 1.00 12.51 C ATOM 1954 CG ASP A 119 3.883 19.968 -10.256 1.00 13.33 C ATOM 1955 OD1 ASP A 119 4.751 20.145 -11.139 1.00 13.70 O ATOM 1956 OD2 ASP A 119 2.979 19.117 -10.364 1.00 13.75 O ATOM 1957 OXT ASP A 119 6.556 22.322 -8.948 1.00 0.00 O ATOM 0 H ASP A 119 5.485 22.095 -6.782 1.00 11.16 H new ATOM 0 HA ASP A 119 5.276 19.476 -8.018 1.00 11.89 H new ATOM 0 HB2 ASP A 119 3.034 20.611 -8.402 1.00 12.51 H new ATOM 0 HB3 ASP A 119 3.887 21.868 -9.276 1.00 12.51 H new TER 1962 ASP A 119