USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot -60:sc= 1.04 USER MOD Set 1.2: A 67 SER OG : rot 163:sc= 0.476 USER MOD Set 2.1: A 13 GLN : amide:sc= 1.81 K(o=4.4,f=1.2) USER MOD Set 2.2: A 36 ASN : amide:sc= 2.56 K(o=4.4,f=-3.7) USER MOD Single : A 1 MET CE :methyl -140:sc= 0 (180deg=-0.161) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0411 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 2.02 K(o=2,f=-0.013) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.987 K(o=0.99,f=-2.2) USER MOD Single : A 23 MET CE :methyl 176:sc= 0 (180deg=-0.023) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0.645 (180deg=0.62) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 1.19 (180deg=1) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.23) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.0374 X(o=0.037,f=0) USER MOD Single : A 55 SER OG : rot 73:sc= 1.19 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 1.26 (180deg=0.927) USER MOD Single : A 62 ASN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0746 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 13:sc= 0.843 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00565 USER MOD Single : A 83 HIS : no HE2:sc= 0.598 K(o=1.2,f=-6.4!) USER MOD Single : A 84 HIS : no HE2:sc= 0.563 K(o=0.56,f=-1.8!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.763 -13.213 -0.302 1.00 0.00 N ATOM 2 CA MET A 1 -5.647 -13.580 0.606 1.00 0.00 C ATOM 3 C MET A 1 -6.198 -13.881 2.002 1.00 0.00 C ATOM 4 O MET A 1 -7.200 -13.296 2.425 1.00 0.00 O ATOM 5 CB MET A 1 -4.563 -12.481 0.631 1.00 0.00 C ATOM 6 CG MET A 1 -3.241 -12.909 1.273 1.00 0.00 C ATOM 7 SD MET A 1 -1.943 -11.660 1.060 1.00 0.00 S ATOM 8 CE MET A 1 -0.638 -12.435 2.039 1.00 0.00 C ATOM 0 H1 MET A 1 -6.502 -12.367 -0.848 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.954 -14.001 -0.954 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.616 -13.014 0.259 1.00 0.00 H new ATOM 0 HA MET A 1 -5.163 -14.482 0.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.368 -12.157 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.952 -11.617 1.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.397 -13.091 2.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.913 -13.851 0.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.112 -11.672 2.613 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.078 -13.163 2.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.064 -12.939 1.375 1.00 0.00 H new ATOM 20 N LEU A 2 -5.568 -14.811 2.717 1.00 0.00 N ATOM 21 CA LEU A 2 -6.065 -15.387 3.962 1.00 0.00 C ATOM 22 C LEU A 2 -4.874 -15.598 4.899 1.00 0.00 C ATOM 23 O LEU A 2 -3.739 -15.729 4.429 1.00 0.00 O ATOM 24 CB LEU A 2 -6.746 -16.725 3.603 1.00 0.00 C ATOM 25 CG LEU A 2 -7.562 -17.391 4.727 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.854 -16.619 5.017 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.932 -18.816 4.311 1.00 0.00 C ATOM 0 H LEU A 2 -4.667 -15.196 2.435 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.784 -14.740 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.407 -16.557 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.977 -17.425 3.276 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.947 -17.396 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.404 -17.117 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.609 -15.602 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.469 -16.587 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.510 -19.289 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.527 -18.786 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.023 -19.390 4.132 1.00 0.00 H new ATOM 39 N GLN A 3 -5.133 -15.653 6.204 1.00 0.00 N ATOM 40 CA GLN A 3 -4.185 -16.032 7.239 1.00 0.00 C ATOM 41 C GLN A 3 -4.629 -17.388 7.783 1.00 0.00 C ATOM 42 O GLN A 3 -5.810 -17.577 8.090 1.00 0.00 O ATOM 43 CB GLN A 3 -4.201 -14.975 8.361 1.00 0.00 C ATOM 44 CG GLN A 3 -3.288 -15.317 9.546 1.00 0.00 C ATOM 45 CD GLN A 3 -3.403 -14.291 10.675 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.984 -14.563 11.722 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.847 -13.109 10.498 1.00 0.00 N ATOM 0 H GLN A 3 -6.052 -15.423 6.581 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.171 -16.094 6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.898 -14.014 7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.222 -14.858 8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.544 -16.305 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.254 -15.365 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.368 -12.897 9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.896 -12.407 11.236 1.00 0.00 H new ATOM 56 N TYR A 4 -3.671 -18.289 7.984 1.00 0.00 N ATOM 57 CA TYR A 4 -3.797 -19.462 8.834 1.00 0.00 C ATOM 58 C TYR A 4 -2.876 -19.257 10.037 1.00 0.00 C ATOM 59 O TYR A 4 -1.784 -18.696 9.905 1.00 0.00 O ATOM 60 CB TYR A 4 -3.355 -20.736 8.086 1.00 0.00 C ATOM 61 CG TYR A 4 -4.373 -21.477 7.228 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.619 -20.925 6.873 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.054 -22.780 6.798 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.542 -21.676 6.122 1.00 0.00 C ATOM 65 CE2 TYR A 4 -4.974 -23.540 6.052 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.233 -22.992 5.722 1.00 0.00 C ATOM 67 OH TYR A 4 -7.154 -23.717 5.030 1.00 0.00 O ATOM 0 H TYR A 4 -2.754 -18.217 7.542 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.837 -19.584 9.136 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.516 -20.467 7.444 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.976 -21.439 8.828 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.868 -19.919 7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.091 -23.201 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.493 -21.242 5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.718 -24.539 5.733 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.788 -24.603 4.828 1.00 0.00 H new ATOM 77 N ARG A 5 -3.275 -19.800 11.182 1.00 0.00 N ATOM 78 CA ARG A 5 -2.377 -20.158 12.279 1.00 0.00 C ATOM 79 C ARG A 5 -2.456 -21.676 12.369 1.00 0.00 C ATOM 80 O ARG A 5 -3.546 -22.225 12.208 1.00 0.00 O ATOM 81 CB ARG A 5 -2.841 -19.487 13.582 1.00 0.00 C ATOM 82 CG ARG A 5 -1.839 -19.620 14.745 1.00 0.00 C ATOM 83 CD ARG A 5 -2.539 -19.253 16.059 1.00 0.00 C ATOM 84 NE ARG A 5 -1.626 -19.262 17.215 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.992 -19.252 18.503 1.00 0.00 C ATOM 86 NH1 ARG A 5 -3.274 -19.247 18.860 1.00 0.00 N ATOM 87 NH2 ARG A 5 -1.039 -19.246 19.424 1.00 0.00 N ATOM 0 H ARG A 5 -4.254 -20.009 11.380 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.353 -19.824 12.113 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.021 -18.429 13.390 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.793 -19.923 13.884 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.456 -20.639 14.796 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.983 -18.965 14.580 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.986 -18.264 15.963 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.353 -19.955 16.240 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.626 -19.277 17.017 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.002 -19.251 18.146 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.528 -19.239 19.848 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.058 -19.249 19.143 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.286 -19.238 20.414 1.00 0.00 H new ATOM 101 N ILE A 6 -1.341 -22.358 12.604 1.00 0.00 N ATOM 102 CA ILE A 6 -1.270 -23.814 12.623 1.00 0.00 C ATOM 103 C ILE A 6 -0.498 -24.183 13.888 1.00 0.00 C ATOM 104 O ILE A 6 0.475 -23.509 14.232 1.00 0.00 O ATOM 105 CB ILE A 6 -0.592 -24.381 11.344 1.00 0.00 C ATOM 106 CG1 ILE A 6 -0.929 -23.608 10.039 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.959 -25.870 11.187 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.098 -24.016 8.816 1.00 0.00 C ATOM 0 H ILE A 6 -0.445 -21.907 12.790 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.268 -24.253 12.631 1.00 0.00 H new ATOM 0 HB ILE A 6 0.481 -24.256 11.487 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.984 -23.755 9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.787 -22.542 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.484 -26.269 10.291 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.612 -26.424 12.059 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.041 -25.971 11.100 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.404 -23.423 7.954 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.959 -23.842 9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.257 -25.073 8.604 1.00 0.00 H new ATOM 120 N ILE A 7 -0.908 -25.252 14.562 1.00 0.00 N ATOM 121 CA ILE A 7 -0.294 -25.770 15.778 1.00 0.00 C ATOM 122 C ILE A 7 -0.133 -27.272 15.531 1.00 0.00 C ATOM 123 O ILE A 7 -1.038 -27.894 14.970 1.00 0.00 O ATOM 124 CB ILE A 7 -1.190 -25.452 17.002 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.557 -23.953 17.166 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.546 -25.978 18.297 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.387 -23.016 17.495 1.00 0.00 C ATOM 0 H ILE A 7 -1.712 -25.804 14.263 1.00 0.00 H new ATOM 0 HA ILE A 7 0.672 -25.316 16.000 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.129 -25.970 16.807 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.026 -23.609 16.244 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.303 -23.864 17.956 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.190 -25.745 19.145 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.416 -27.058 18.226 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.425 -25.504 18.439 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.754 -21.994 17.588 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.072 -23.323 18.435 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.353 -23.064 16.697 1.00 0.00 H new ATOM 139 N VAL A 8 1.009 -27.854 15.898 1.00 0.00 N ATOM 140 CA VAL A 8 1.371 -29.222 15.521 1.00 0.00 C ATOM 141 C VAL A 8 2.038 -29.899 16.720 1.00 0.00 C ATOM 142 O VAL A 8 2.740 -29.231 17.480 1.00 0.00 O ATOM 143 CB VAL A 8 2.317 -29.228 14.290 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.071 -30.470 13.429 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.238 -27.986 13.378 1.00 0.00 C ATOM 0 H VAL A 8 1.714 -27.387 16.469 1.00 0.00 H new ATOM 0 HA VAL A 8 0.472 -29.771 15.241 1.00 0.00 H new ATOM 0 HB VAL A 8 3.315 -29.225 14.728 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.743 -30.457 12.571 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.256 -31.366 14.021 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.038 -30.473 13.081 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.940 -28.096 12.551 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.226 -27.887 12.984 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.492 -27.096 13.953 1.00 0.00 H new ATOM 155 N ASP A 9 1.867 -31.212 16.875 1.00 0.00 N ATOM 156 CA ASP A 9 2.459 -32.002 17.951 1.00 0.00 C ATOM 157 C ASP A 9 2.866 -33.379 17.424 1.00 0.00 C ATOM 158 O ASP A 9 2.325 -33.843 16.416 1.00 0.00 O ATOM 159 CB ASP A 9 1.452 -32.164 19.099 1.00 0.00 C ATOM 160 CG ASP A 9 2.057 -32.885 20.316 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.251 -32.677 20.625 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.328 -33.652 20.985 1.00 0.00 O ATOM 0 H ASP A 9 1.297 -31.769 16.238 1.00 0.00 H new ATOM 0 HA ASP A 9 3.344 -31.485 18.322 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.093 -31.181 19.404 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.587 -32.723 18.743 1.00 0.00 H new ATOM 167 N GLY A 10 3.817 -34.029 18.096 1.00 0.00 N ATOM 168 CA GLY A 10 4.342 -35.342 17.752 1.00 0.00 C ATOM 169 C GLY A 10 5.848 -35.383 17.976 1.00 0.00 C ATOM 170 O GLY A 10 6.397 -34.598 18.754 1.00 0.00 O ATOM 0 H GLY A 10 4.257 -33.635 18.928 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.856 -36.106 18.359 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.116 -35.570 16.710 1.00 0.00 H new ATOM 174 N ARG A 11 6.535 -36.271 17.257 1.00 0.00 N ATOM 175 CA ARG A 11 7.971 -36.162 17.022 1.00 0.00 C ATOM 176 C ARG A 11 8.159 -35.005 16.038 1.00 0.00 C ATOM 177 O ARG A 11 8.206 -35.227 14.826 1.00 0.00 O ATOM 178 CB ARG A 11 8.511 -37.508 16.503 1.00 0.00 C ATOM 179 CG ARG A 11 10.013 -37.476 16.182 1.00 0.00 C ATOM 180 CD ARG A 11 10.465 -38.800 15.555 1.00 0.00 C ATOM 181 NE ARG A 11 11.735 -38.628 14.835 1.00 0.00 N ATOM 182 CZ ARG A 11 12.973 -38.869 15.274 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.193 -39.363 16.490 1.00 0.00 N ATOM 184 NH2 ARG A 11 13.985 -38.597 14.458 1.00 0.00 N ATOM 0 H ARG A 11 6.108 -37.088 16.821 1.00 0.00 H new ATOM 0 HA ARG A 11 8.537 -35.949 17.929 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.322 -38.280 17.249 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.961 -37.791 15.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.226 -36.654 15.499 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.580 -37.288 17.094 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.582 -39.555 16.332 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.699 -39.164 14.870 1.00 0.00 H new ATOM 0 HE ARG A 11 11.661 -38.281 13.879 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.407 -39.566 17.108 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.147 -39.539 16.804 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.803 -38.217 13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.944 -38.769 14.760 1.00 0.00 H new ATOM 198 N VAL A 12 8.193 -33.778 16.554 1.00 0.00 N ATOM 199 CA VAL A 12 8.224 -32.553 15.756 1.00 0.00 C ATOM 200 C VAL A 12 9.276 -31.567 16.295 1.00 0.00 C ATOM 201 O VAL A 12 9.200 -30.373 16.010 1.00 0.00 O ATOM 202 CB VAL A 12 6.803 -31.940 15.650 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.798 -32.901 14.996 1.00 0.00 C ATOM 204 CG2 VAL A 12 6.224 -31.483 17.001 1.00 0.00 C ATOM 0 H VAL A 12 8.200 -33.604 17.559 1.00 0.00 H new ATOM 0 HA VAL A 12 8.536 -32.796 14.740 1.00 0.00 H new ATOM 0 HB VAL A 12 6.941 -31.062 15.019 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.819 -32.425 14.945 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.134 -33.148 13.989 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.728 -33.813 15.589 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.229 -31.065 16.848 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.160 -32.336 17.676 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.873 -30.723 17.437 1.00 0.00 H new ATOM 214 N GLN A 13 10.245 -32.036 17.095 1.00 0.00 N ATOM 215 CA GLN A 13 11.325 -31.212 17.636 1.00 0.00 C ATOM 216 C GLN A 13 12.638 -31.981 17.557 1.00 0.00 C ATOM 217 O GLN A 13 12.640 -33.206 17.722 1.00 0.00 O ATOM 218 CB GLN A 13 11.071 -30.847 19.110 1.00 0.00 C ATOM 219 CG GLN A 13 9.680 -30.280 19.409 1.00 0.00 C ATOM 220 CD GLN A 13 9.674 -29.460 20.700 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.094 -29.920 21.760 1.00 0.00 O ATOM 222 NE2 GLN A 13 9.217 -28.222 20.630 1.00 0.00 N ATOM 0 H GLN A 13 10.297 -33.012 17.386 1.00 0.00 H new ATOM 0 HA GLN A 13 11.371 -30.297 17.046 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.222 -31.738 19.720 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.818 -30.117 19.421 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.355 -29.654 18.578 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.963 -31.097 19.492 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.872 -27.855 19.743 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.209 -27.633 21.463 1.00 0.00 H new ATOM 231 N GLY A 14 13.750 -31.272 17.383 1.00 0.00 N ATOM 232 CA GLY A 14 15.073 -31.864 17.282 1.00 0.00 C ATOM 233 C GLY A 14 15.212 -32.703 16.012 1.00 0.00 C ATOM 234 O GLY A 14 15.925 -33.710 16.026 1.00 0.00 O ATOM 0 H GLY A 14 13.753 -30.255 17.308 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.827 -31.077 17.284 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.262 -32.489 18.155 1.00 0.00 H new ATOM 238 N VAL A 15 14.518 -32.327 14.935 1.00 0.00 N ATOM 239 CA VAL A 15 14.424 -33.095 13.693 1.00 0.00 C ATOM 240 C VAL A 15 14.603 -32.201 12.457 1.00 0.00 C ATOM 241 O VAL A 15 14.788 -32.722 11.354 1.00 0.00 O ATOM 242 CB VAL A 15 13.103 -33.902 13.652 1.00 0.00 C ATOM 243 CG1 VAL A 15 13.124 -35.073 14.646 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.851 -33.048 13.913 1.00 0.00 C ATOM 0 H VAL A 15 13.991 -31.454 14.903 1.00 0.00 H new ATOM 0 HA VAL A 15 15.246 -33.811 13.672 1.00 0.00 H new ATOM 0 HB VAL A 15 13.039 -34.282 12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.181 -35.616 14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.945 -35.746 14.399 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.261 -34.690 15.657 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.964 -33.680 13.869 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.922 -32.591 14.900 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.779 -32.267 13.156 1.00 0.00 H new ATOM 254 N GLY A 16 14.617 -30.878 12.622 1.00 0.00 N ATOM 255 CA GLY A 16 14.726 -29.907 11.551 1.00 0.00 C ATOM 256 C GLY A 16 13.343 -29.393 11.165 1.00 0.00 C ATOM 257 O GLY A 16 13.172 -28.963 10.023 1.00 0.00 O ATOM 0 H GLY A 16 14.550 -30.445 13.543 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.356 -29.076 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.208 -30.362 10.685 1.00 0.00 H new ATOM 261 N PHE A 17 12.344 -29.483 12.049 1.00 0.00 N ATOM 262 CA PHE A 17 10.966 -29.185 11.694 1.00 0.00 C ATOM 263 C PHE A 17 10.823 -27.712 11.305 1.00 0.00 C ATOM 264 O PHE A 17 10.165 -27.411 10.309 1.00 0.00 O ATOM 265 CB PHE A 17 10.001 -29.579 12.821 1.00 0.00 C ATOM 266 CG PHE A 17 8.626 -29.985 12.318 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.674 -29.008 11.971 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.302 -31.348 12.177 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.403 -29.392 11.504 1.00 0.00 C ATOM 270 CE2 PHE A 17 7.033 -31.732 11.705 1.00 0.00 C ATOM 271 CZ PHE A 17 6.082 -30.753 11.372 1.00 0.00 C ATOM 0 H PHE A 17 12.473 -29.763 13.021 1.00 0.00 H new ATOM 0 HA PHE A 17 10.695 -29.786 10.826 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.432 -30.405 13.387 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.896 -28.741 13.510 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.920 -27.960 12.063 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.031 -32.103 12.432 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.673 -28.639 11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.790 -32.779 11.599 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.106 -31.046 11.015 1.00 0.00 H new ATOM 281 N ARG A 18 11.483 -26.789 12.016 1.00 0.00 N ATOM 282 CA ARG A 18 11.508 -25.374 11.626 1.00 0.00 C ATOM 283 C ARG A 18 12.022 -25.197 10.198 1.00 0.00 C ATOM 284 O ARG A 18 11.386 -24.499 9.410 1.00 0.00 O ATOM 285 CB ARG A 18 12.366 -24.578 12.620 1.00 0.00 C ATOM 286 CG ARG A 18 11.561 -24.207 13.873 1.00 0.00 C ATOM 287 CD ARG A 18 12.463 -23.743 15.022 1.00 0.00 C ATOM 288 NE ARG A 18 13.051 -24.877 15.755 1.00 0.00 N ATOM 289 CZ ARG A 18 13.654 -24.807 16.944 1.00 0.00 C ATOM 290 NH1 ARG A 18 13.852 -23.628 17.538 1.00 0.00 N ATOM 291 NH2 ARG A 18 14.039 -25.915 17.555 1.00 0.00 N ATOM 0 H ARG A 18 12.007 -26.998 12.866 1.00 0.00 H new ATOM 0 HA ARG A 18 10.488 -24.991 11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.238 -25.167 12.905 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.737 -23.672 12.141 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.852 -23.416 13.627 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.977 -25.069 14.196 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.261 -23.115 14.626 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.885 -23.127 15.711 1.00 0.00 H new ATOM 0 HE ARG A 18 12.992 -25.796 15.316 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.541 -22.769 17.083 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.314 -23.586 18.447 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.875 -26.822 17.118 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.500 -25.863 18.463 1.00 0.00 H new ATOM 305 N TYR A 19 13.143 -25.831 9.848 1.00 0.00 N ATOM 306 CA TYR A 19 13.735 -25.705 8.524 1.00 0.00 C ATOM 307 C TYR A 19 12.846 -26.340 7.456 1.00 0.00 C ATOM 308 O TYR A 19 12.684 -25.771 6.380 1.00 0.00 O ATOM 309 CB TYR A 19 15.131 -26.330 8.532 1.00 0.00 C ATOM 310 CG TYR A 19 16.154 -25.489 9.274 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.699 -24.346 8.655 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.536 -25.822 10.588 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.619 -23.537 9.344 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.455 -25.017 11.282 1.00 0.00 C ATOM 315 CZ TYR A 19 18.002 -23.869 10.665 1.00 0.00 C ATOM 316 OH TYR A 19 18.892 -23.096 11.349 1.00 0.00 O ATOM 0 H TYR A 19 13.662 -26.444 10.477 1.00 0.00 H new ATOM 0 HA TYR A 19 13.823 -24.648 8.274 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.078 -27.317 8.992 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.464 -26.474 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.408 -24.091 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 19 16.121 -26.699 11.064 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.033 -22.662 8.865 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.744 -25.276 12.290 1.00 0.00 H new ATOM 0 HH TYR A 19 19.036 -23.475 12.241 1.00 0.00 H new ATOM 326 N PHE A 20 12.232 -27.486 7.751 1.00 0.00 N ATOM 327 CA PHE A 20 11.276 -28.120 6.858 1.00 0.00 C ATOM 328 C PHE A 20 10.118 -27.167 6.560 1.00 0.00 C ATOM 329 O PHE A 20 9.843 -26.896 5.394 1.00 0.00 O ATOM 330 CB PHE A 20 10.794 -29.436 7.480 1.00 0.00 C ATOM 331 CG PHE A 20 9.625 -30.084 6.762 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.817 -30.704 5.513 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.341 -30.062 7.344 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.732 -31.307 4.852 1.00 0.00 C ATOM 335 CE2 PHE A 20 7.256 -30.660 6.678 1.00 0.00 C ATOM 336 CZ PHE A 20 7.452 -31.286 5.436 1.00 0.00 C ATOM 0 H PHE A 20 12.388 -27.998 8.619 1.00 0.00 H new ATOM 0 HA PHE A 20 11.754 -28.352 5.906 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.626 -30.140 7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.509 -29.250 8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.798 -30.717 5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 20 8.190 -29.586 8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.881 -31.786 3.896 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.272 -30.638 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.620 -31.751 4.929 1.00 0.00 H new ATOM 346 N VAL A 21 9.481 -26.598 7.585 1.00 0.00 N ATOM 347 CA VAL A 21 8.369 -25.671 7.399 1.00 0.00 C ATOM 348 C VAL A 21 8.832 -24.421 6.632 1.00 0.00 C ATOM 349 O VAL A 21 8.109 -23.964 5.748 1.00 0.00 O ATOM 350 CB VAL A 21 7.738 -25.353 8.770 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.643 -24.285 8.682 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.082 -26.607 9.375 1.00 0.00 C ATOM 0 H VAL A 21 9.722 -26.767 8.562 1.00 0.00 H new ATOM 0 HA VAL A 21 7.593 -26.127 6.784 1.00 0.00 H new ATOM 0 HB VAL A 21 8.558 -24.990 9.390 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.234 -24.101 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.066 -23.362 8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.849 -24.632 8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.644 -26.358 10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.302 -26.969 8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.835 -27.384 9.507 1.00 0.00 H new ATOM 362 N GLN A 22 10.037 -23.904 6.904 1.00 0.00 N ATOM 363 CA GLN A 22 10.623 -22.788 6.168 1.00 0.00 C ATOM 364 C GLN A 22 10.678 -23.121 4.672 1.00 0.00 C ATOM 365 O GLN A 22 10.229 -22.322 3.850 1.00 0.00 O ATOM 366 CB GLN A 22 12.006 -22.469 6.764 1.00 0.00 C ATOM 367 CG GLN A 22 12.709 -21.269 6.112 1.00 0.00 C ATOM 368 CD GLN A 22 12.102 -19.908 6.448 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.426 -19.721 7.453 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.332 -18.916 5.608 1.00 0.00 N ATOM 0 H GLN A 22 10.635 -24.257 7.651 1.00 0.00 H new ATOM 0 HA GLN A 22 10.008 -21.894 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.894 -22.275 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.644 -23.347 6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.755 -21.269 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.693 -21.401 5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.895 -19.075 4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.947 -17.990 5.794 1.00 0.00 H new ATOM 379 N MET A 23 11.193 -24.298 4.311 1.00 0.00 N ATOM 380 CA MET A 23 11.339 -24.691 2.912 1.00 0.00 C ATOM 381 C MET A 23 9.975 -24.952 2.267 1.00 0.00 C ATOM 382 O MET A 23 9.764 -24.565 1.117 1.00 0.00 O ATOM 383 CB MET A 23 12.224 -25.942 2.808 1.00 0.00 C ATOM 384 CG MET A 23 13.688 -25.652 3.166 1.00 0.00 C ATOM 385 SD MET A 23 14.749 -27.117 3.334 1.00 0.00 S ATOM 386 CE MET A 23 14.709 -27.767 1.639 1.00 0.00 C ATOM 0 H MET A 23 11.518 -25.000 4.976 1.00 0.00 H new ATOM 0 HA MET A 23 11.814 -23.870 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.836 -26.715 3.472 1.00 0.00 H new ATOM 0 HB3 MET A 23 12.172 -26.338 1.794 1.00 0.00 H new ATOM 0 HG2 MET A 23 14.111 -25.003 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.713 -25.096 4.103 1.00 0.00 H new ATOM 0 HE1 MET A 23 15.372 -28.629 1.564 1.00 0.00 H new ATOM 0 HE2 MET A 23 13.692 -28.069 1.389 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.039 -26.994 0.945 1.00 0.00 H new ATOM 396 N GLU A 24 9.033 -25.570 2.983 1.00 0.00 N ATOM 397 CA GLU A 24 7.713 -25.867 2.446 1.00 0.00 C ATOM 398 C GLU A 24 6.906 -24.581 2.227 1.00 0.00 C ATOM 399 O GLU A 24 6.146 -24.500 1.262 1.00 0.00 O ATOM 400 CB GLU A 24 6.976 -26.857 3.361 1.00 0.00 C ATOM 401 CG GLU A 24 7.571 -28.278 3.344 1.00 0.00 C ATOM 402 CD GLU A 24 7.514 -28.937 1.957 1.00 0.00 C ATOM 403 OE1 GLU A 24 8.422 -28.708 1.123 1.00 0.00 O ATOM 404 OE2 GLU A 24 6.535 -29.649 1.646 1.00 0.00 O ATOM 0 H GLU A 24 9.168 -25.876 3.947 1.00 0.00 H new ATOM 0 HA GLU A 24 7.830 -26.339 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.995 -26.477 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.930 -26.907 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.608 -28.236 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.032 -28.900 4.058 1.00 0.00 H new ATOM 411 N ALA A 25 7.102 -23.561 3.068 1.00 0.00 N ATOM 412 CA ALA A 25 6.550 -22.234 2.837 1.00 0.00 C ATOM 413 C ALA A 25 7.229 -21.581 1.632 1.00 0.00 C ATOM 414 O ALA A 25 6.551 -20.954 0.815 1.00 0.00 O ATOM 415 CB ALA A 25 6.739 -21.367 4.085 1.00 0.00 C ATOM 0 H ALA A 25 7.648 -23.638 3.926 1.00 0.00 H new ATOM 0 HA ALA A 25 5.484 -22.326 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.324 -20.375 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.226 -21.828 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.802 -21.280 4.310 1.00 0.00 H new ATOM 421 N ASP A 26 8.552 -21.736 1.499 1.00 0.00 N ATOM 422 CA ASP A 26 9.330 -21.105 0.436 1.00 0.00 C ATOM 423 C ASP A 26 8.899 -21.621 -0.932 1.00 0.00 C ATOM 424 O ASP A 26 8.650 -20.829 -1.837 1.00 0.00 O ATOM 425 CB ASP A 26 10.837 -21.336 0.615 1.00 0.00 C ATOM 426 CG ASP A 26 11.618 -20.386 -0.307 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.763 -20.678 -1.516 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.085 -19.330 0.172 1.00 0.00 O ATOM 0 H ASP A 26 9.112 -22.307 2.132 1.00 0.00 H new ATOM 0 HA ASP A 26 9.137 -20.034 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.120 -21.165 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.086 -22.371 0.382 1.00 0.00 H new ATOM 433 N LYS A 27 8.707 -22.936 -1.085 1.00 0.00 N ATOM 434 CA LYS A 27 8.250 -23.510 -2.355 1.00 0.00 C ATOM 435 C LYS A 27 6.791 -23.171 -2.681 1.00 0.00 C ATOM 436 O LYS A 27 6.305 -23.537 -3.753 1.00 0.00 O ATOM 437 CB LYS A 27 8.608 -25.008 -2.455 1.00 0.00 C ATOM 438 CG LYS A 27 7.881 -25.967 -1.498 1.00 0.00 C ATOM 439 CD LYS A 27 6.521 -26.454 -2.024 1.00 0.00 C ATOM 440 CE LYS A 27 5.839 -27.449 -1.073 1.00 0.00 C ATOM 441 NZ LYS A 27 6.574 -28.732 -0.963 1.00 0.00 N ATOM 0 H LYS A 27 8.861 -23.622 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 27 8.806 -23.023 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.411 -25.335 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.680 -25.112 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.518 -26.831 -1.311 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.732 -25.467 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.866 -25.596 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.660 -26.925 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.752 -26.999 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.826 -27.645 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.053 -29.378 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.665 -29.162 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.521 -28.557 -0.570 1.00 0.00 H new ATOM 455 N ARG A 28 6.060 -22.488 -1.791 1.00 0.00 N ATOM 456 CA ARG A 28 4.749 -21.895 -2.051 1.00 0.00 C ATOM 457 C ARG A 28 4.820 -20.359 -2.045 1.00 0.00 C ATOM 458 O ARG A 28 3.787 -19.713 -2.218 1.00 0.00 O ATOM 459 CB ARG A 28 3.763 -22.411 -0.984 1.00 0.00 C ATOM 460 CG ARG A 28 3.410 -23.913 -0.996 1.00 0.00 C ATOM 461 CD ARG A 28 2.711 -24.424 -2.268 1.00 0.00 C ATOM 462 NE ARG A 28 3.635 -24.525 -3.411 1.00 0.00 N ATOM 463 CZ ARG A 28 3.394 -25.059 -4.612 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.220 -25.616 -4.896 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.364 -25.017 -5.519 1.00 0.00 N ATOM 0 H ARG A 28 6.380 -22.329 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 28 4.405 -22.189 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.175 -22.172 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.835 -21.848 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.327 -24.484 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.767 -24.123 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.272 -25.402 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.891 -23.753 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 28 4.570 -24.142 -3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.483 -25.641 -4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.056 -26.018 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.259 -24.586 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.213 -25.415 -6.446 1.00 0.00 H new ATOM 479 N LYS A 29 6.011 -19.769 -1.864 1.00 0.00 N ATOM 480 CA LYS A 29 6.262 -18.336 -1.679 1.00 0.00 C ATOM 481 C LYS A 29 5.243 -17.693 -0.726 1.00 0.00 C ATOM 482 O LYS A 29 4.772 -16.578 -0.962 1.00 0.00 O ATOM 483 CB LYS A 29 6.405 -17.624 -3.042 1.00 0.00 C ATOM 484 CG LYS A 29 7.469 -18.235 -3.976 1.00 0.00 C ATOM 485 CD LYS A 29 8.914 -18.106 -3.461 1.00 0.00 C ATOM 486 CE LYS A 29 9.838 -18.998 -4.304 1.00 0.00 C ATOM 487 NZ LYS A 29 11.212 -19.087 -3.753 1.00 0.00 N ATOM 0 H LYS A 29 6.874 -20.313 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 29 7.221 -18.210 -1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.441 -17.643 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.653 -16.577 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.242 -19.291 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.399 -17.753 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.241 -17.068 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.965 -18.399 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.411 -19.999 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.884 -18.607 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.857 -19.447 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.526 -18.143 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.218 -19.733 -2.938 1.00 0.00 H new ATOM 501 N LEU A 30 4.884 -18.413 0.341 1.00 0.00 N ATOM 502 CA LEU A 30 4.068 -17.889 1.429 1.00 0.00 C ATOM 503 C LEU A 30 4.868 -16.846 2.211 1.00 0.00 C ATOM 504 O LEU A 30 6.087 -16.736 2.060 1.00 0.00 O ATOM 505 CB LEU A 30 3.616 -19.043 2.344 1.00 0.00 C ATOM 506 CG LEU A 30 2.553 -19.958 1.708 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.245 -21.137 2.634 1.00 0.00 C ATOM 508 CD2 LEU A 30 1.256 -19.206 1.396 1.00 0.00 C ATOM 0 H LEU A 30 5.157 -19.387 0.471 1.00 0.00 H new ATOM 0 HA LEU A 30 3.178 -17.408 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.485 -19.643 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.218 -18.627 3.269 1.00 0.00 H new ATOM 0 HG LEU A 30 2.967 -20.322 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.492 -21.776 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.154 -21.713 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.869 -20.763 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.536 -19.892 0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.842 -18.796 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.465 -18.394 0.699 1.00 0.00 H new ATOM 520 N ALA A 31 4.178 -16.108 3.080 1.00 0.00 N ATOM 521 CA ALA A 31 4.770 -15.181 4.034 1.00 0.00 C ATOM 522 C ALA A 31 4.212 -15.525 5.418 1.00 0.00 C ATOM 523 O ALA A 31 3.115 -16.078 5.492 1.00 0.00 O ATOM 524 CB ALA A 31 4.430 -13.754 3.600 1.00 0.00 C ATOM 0 H ALA A 31 3.160 -16.143 3.138 1.00 0.00 H new ATOM 0 HA ALA A 31 5.857 -15.259 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.866 -13.046 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.834 -13.571 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.348 -13.627 3.582 1.00 0.00 H new ATOM 530 N GLY A 32 4.946 -15.276 6.506 1.00 0.00 N ATOM 531 CA GLY A 32 4.559 -15.783 7.821 1.00 0.00 C ATOM 532 C GLY A 32 5.742 -16.053 8.749 1.00 0.00 C ATOM 533 O GLY A 32 6.850 -15.548 8.538 1.00 0.00 O ATOM 0 H GLY A 32 5.807 -14.729 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.893 -15.063 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.992 -16.705 7.692 1.00 0.00 H new ATOM 537 N TRP A 33 5.525 -16.891 9.763 1.00 0.00 N ATOM 538 CA TRP A 33 6.578 -17.376 10.633 1.00 0.00 C ATOM 539 C TRP A 33 6.382 -18.842 11.018 1.00 0.00 C ATOM 540 O TRP A 33 5.277 -19.381 10.918 1.00 0.00 O ATOM 541 CB TRP A 33 6.730 -16.473 11.873 1.00 0.00 C ATOM 542 CG TRP A 33 5.602 -16.413 12.876 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.017 -17.463 13.503 1.00 0.00 C ATOM 544 CD2 TRP A 33 4.957 -15.228 13.445 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.039 -17.020 14.367 1.00 0.00 N ATOM 546 CE2 TRP A 33 3.966 -15.646 14.385 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.120 -13.835 13.278 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.174 -14.737 15.103 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.327 -12.912 13.988 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.354 -13.359 14.898 1.00 0.00 C ATOM 0 H TRP A 33 4.601 -17.252 10.000 1.00 0.00 H new ATOM 0 HA TRP A 33 7.510 -17.328 10.071 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.627 -16.792 12.404 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.912 -15.458 11.521 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.280 -18.499 13.348 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.444 -17.634 14.923 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.869 -13.469 12.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.435 -15.093 15.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.468 -11.853 13.832 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.747 -12.646 15.437 1.00 0.00 H new ATOM 561 N VAL A 34 7.434 -19.449 11.568 1.00 0.00 N ATOM 562 CA VAL A 34 7.387 -20.717 12.288 1.00 0.00 C ATOM 563 C VAL A 34 8.231 -20.580 13.556 1.00 0.00 C ATOM 564 O VAL A 34 9.268 -19.913 13.546 1.00 0.00 O ATOM 565 CB VAL A 34 7.835 -21.884 11.375 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.244 -21.718 10.782 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.763 -23.235 12.107 1.00 0.00 C ATOM 0 H VAL A 34 8.374 -19.056 11.521 1.00 0.00 H new ATOM 0 HA VAL A 34 6.366 -20.956 12.585 1.00 0.00 H new ATOM 0 HB VAL A 34 7.128 -21.864 10.546 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.479 -22.579 10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.281 -20.810 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.973 -21.647 11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.085 -24.031 11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.416 -23.211 12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.738 -23.422 12.426 1.00 0.00 H new ATOM 577 N LYS A 35 7.811 -21.239 14.637 1.00 0.00 N ATOM 578 CA LYS A 35 8.569 -21.385 15.875 1.00 0.00 C ATOM 579 C LYS A 35 8.344 -22.794 16.414 1.00 0.00 C ATOM 580 O LYS A 35 7.365 -23.452 16.053 1.00 0.00 O ATOM 581 CB LYS A 35 8.166 -20.295 16.886 1.00 0.00 C ATOM 582 CG LYS A 35 6.713 -20.410 17.389 1.00 0.00 C ATOM 583 CD LYS A 35 6.356 -19.326 18.417 1.00 0.00 C ATOM 584 CE LYS A 35 6.237 -17.934 17.778 1.00 0.00 C ATOM 585 NZ LYS A 35 5.989 -16.884 18.795 1.00 0.00 N ATOM 0 H LYS A 35 6.902 -21.701 14.673 1.00 0.00 H new ATOM 0 HA LYS A 35 9.635 -21.252 15.690 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.840 -20.341 17.741 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.303 -19.317 16.424 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.032 -20.339 16.541 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.564 -21.393 17.836 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.414 -19.583 18.901 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.118 -19.302 19.196 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.153 -17.704 17.233 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.425 -17.935 17.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.601 -16.037 18.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.310 -17.236 19.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.883 -16.641 19.268 1.00 0.00 H new ATOM 599 N ASN A 36 9.225 -23.250 17.304 1.00 0.00 N ATOM 600 CA ASN A 36 9.109 -24.558 17.939 1.00 0.00 C ATOM 601 C ASN A 36 9.158 -24.327 19.445 1.00 0.00 C ATOM 602 O ASN A 36 10.122 -23.747 19.951 1.00 0.00 O ATOM 603 CB ASN A 36 10.199 -25.514 17.421 1.00 0.00 C ATOM 604 CG ASN A 36 9.725 -26.960 17.393 1.00 0.00 C ATOM 605 OD1 ASN A 36 8.743 -27.302 18.046 1.00 0.00 O ATOM 606 ND2 ASN A 36 10.355 -27.821 16.617 1.00 0.00 N ATOM 0 H ASN A 36 10.042 -22.718 17.605 1.00 0.00 H new ATOM 0 HA ASN A 36 8.168 -25.049 17.691 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.499 -25.212 16.418 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.082 -25.434 18.055 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.028 -28.785 16.554 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.169 -27.523 16.080 1.00 0.00 H new ATOM 613 N ARG A 37 8.066 -24.649 20.137 1.00 0.00 N ATOM 614 CA ARG A 37 7.732 -24.089 21.445 1.00 0.00 C ATOM 615 C ARG A 37 8.306 -24.960 22.554 1.00 0.00 C ATOM 616 O ARG A 37 8.438 -26.175 22.393 1.00 0.00 O ATOM 617 CB ARG A 37 6.199 -24.001 21.580 1.00 0.00 C ATOM 618 CG ARG A 37 5.529 -23.103 20.518 1.00 0.00 C ATOM 619 CD ARG A 37 3.999 -23.220 20.542 1.00 0.00 C ATOM 620 NE ARG A 37 3.452 -23.002 21.889 1.00 0.00 N ATOM 621 CZ ARG A 37 3.060 -21.847 22.438 1.00 0.00 C ATOM 622 NH1 ARG A 37 2.914 -20.731 21.729 1.00 0.00 N ATOM 623 NH2 ARG A 37 2.827 -21.841 23.744 1.00 0.00 N ATOM 0 H ARG A 37 7.376 -25.319 19.797 1.00 0.00 H new ATOM 0 HA ARG A 37 8.164 -23.092 21.533 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.780 -25.005 21.510 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.952 -23.621 22.571 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.815 -22.065 20.689 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.897 -23.376 19.529 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.569 -22.493 19.854 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.705 -24.208 20.187 1.00 0.00 H new ATOM 0 HE ARG A 37 3.360 -23.831 22.476 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.103 -20.735 20.727 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.613 -19.871 22.188 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.949 -22.695 24.288 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.526 -20.982 24.204 1.00 0.00 H new ATOM 637 N ASP A 38 8.581 -24.364 23.714 1.00 0.00 N ATOM 638 CA ASP A 38 9.111 -25.091 24.871 1.00 0.00 C ATOM 639 C ASP A 38 8.111 -26.120 25.404 1.00 0.00 C ATOM 640 O ASP A 38 8.510 -27.168 25.911 1.00 0.00 O ATOM 641 CB ASP A 38 9.497 -24.106 25.979 1.00 0.00 C ATOM 642 CG ASP A 38 10.016 -24.840 27.227 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.158 -25.355 27.199 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.307 -24.870 28.257 1.00 0.00 O ATOM 0 H ASP A 38 8.444 -23.367 23.880 1.00 0.00 H new ATOM 0 HA ASP A 38 9.998 -25.633 24.543 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.264 -23.424 25.611 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.632 -23.499 26.246 1.00 0.00 H new ATOM 649 N ASP A 39 6.810 -25.854 25.239 1.00 0.00 N ATOM 650 CA ASP A 39 5.738 -26.788 25.589 1.00 0.00 C ATOM 651 C ASP A 39 5.701 -28.037 24.692 1.00 0.00 C ATOM 652 O ASP A 39 4.993 -28.993 25.016 1.00 0.00 O ATOM 653 CB ASP A 39 4.368 -26.089 25.640 1.00 0.00 C ATOM 654 CG ASP A 39 3.791 -25.651 24.290 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.797 -26.407 23.296 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.249 -24.525 24.228 1.00 0.00 O ATOM 0 H ASP A 39 6.470 -24.973 24.854 1.00 0.00 H new ATOM 0 HA ASP A 39 5.970 -27.144 26.593 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.656 -26.762 26.117 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.453 -25.210 26.279 1.00 0.00 H new ATOM 661 N GLY A 40 6.476 -28.060 23.601 1.00 0.00 N ATOM 662 CA GLY A 40 6.664 -29.226 22.747 1.00 0.00 C ATOM 663 C GLY A 40 6.039 -29.067 21.361 1.00 0.00 C ATOM 664 O GLY A 40 6.426 -29.785 20.436 1.00 0.00 O ATOM 0 H GLY A 40 7.001 -27.244 23.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.731 -29.419 22.637 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.231 -30.099 23.235 1.00 0.00 H new ATOM 668 N ARG A 41 5.068 -28.163 21.197 1.00 0.00 N ATOM 669 CA ARG A 41 4.348 -28.007 19.939 1.00 0.00 C ATOM 670 C ARG A 41 5.165 -27.167 18.967 1.00 0.00 C ATOM 671 O ARG A 41 5.936 -26.300 19.371 1.00 0.00 O ATOM 672 CB ARG A 41 2.982 -27.359 20.206 1.00 0.00 C ATOM 673 CG ARG A 41 2.075 -28.282 21.040 1.00 0.00 C ATOM 674 CD ARG A 41 0.786 -27.585 21.481 1.00 0.00 C ATOM 675 NE ARG A 41 1.061 -26.476 22.410 1.00 0.00 N ATOM 676 CZ ARG A 41 0.155 -25.615 22.888 1.00 0.00 C ATOM 677 NH1 ARG A 41 -1.129 -25.714 22.545 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.544 -24.652 23.713 1.00 0.00 N ATOM 0 H ARG A 41 4.764 -27.524 21.931 1.00 0.00 H new ATOM 0 HA ARG A 41 4.189 -28.987 19.489 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.122 -26.414 20.731 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.496 -27.128 19.258 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.825 -29.167 20.455 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.620 -28.625 21.920 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.259 -27.205 20.606 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.127 -28.308 21.961 1.00 0.00 H new ATOM 0 HE ARG A 41 2.026 -26.353 22.716 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.432 -26.453 21.911 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.809 -25.051 22.917 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.526 -24.573 23.978 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.139 -23.991 24.083 1.00 0.00 H new ATOM 692 N VAL A 42 4.933 -27.361 17.679 1.00 0.00 N ATOM 693 CA VAL A 42 5.317 -26.395 16.657 1.00 0.00 C ATOM 694 C VAL A 42 4.153 -25.410 16.565 1.00 0.00 C ATOM 695 O VAL A 42 2.992 -25.796 16.746 1.00 0.00 O ATOM 696 CB VAL A 42 5.582 -27.117 15.318 1.00 0.00 C ATOM 697 CG1 VAL A 42 5.866 -26.168 14.141 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.766 -28.083 15.425 1.00 0.00 C ATOM 0 H VAL A 42 4.473 -28.193 17.310 1.00 0.00 H new ATOM 0 HA VAL A 42 6.240 -25.870 16.902 1.00 0.00 H new ATOM 0 HB VAL A 42 4.655 -27.653 15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.042 -26.752 13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.009 -25.511 13.988 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.748 -25.568 14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.923 -28.573 14.464 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.663 -27.529 15.701 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.555 -28.835 16.186 1.00 0.00 H new ATOM 708 N GLU A 43 4.451 -24.156 16.237 1.00 0.00 N ATOM 709 CA GLU A 43 3.457 -23.150 15.901 1.00 0.00 C ATOM 710 C GLU A 43 3.907 -22.448 14.625 1.00 0.00 C ATOM 711 O GLU A 43 5.098 -22.216 14.409 1.00 0.00 O ATOM 712 CB GLU A 43 3.276 -22.196 17.089 1.00 0.00 C ATOM 713 CG GLU A 43 2.534 -20.899 16.729 1.00 0.00 C ATOM 714 CD GLU A 43 2.128 -20.075 17.957 1.00 0.00 C ATOM 715 OE1 GLU A 43 2.738 -20.216 19.040 1.00 0.00 O ATOM 716 OE2 GLU A 43 1.174 -19.276 17.830 1.00 0.00 O ATOM 0 H GLU A 43 5.409 -23.807 16.198 1.00 0.00 H new ATOM 0 HA GLU A 43 2.480 -23.593 15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.728 -22.711 17.878 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.256 -21.944 17.494 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.170 -20.291 16.085 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.642 -21.146 16.154 1.00 0.00 H new ATOM 723 N ILE A 44 2.942 -22.116 13.773 1.00 0.00 N ATOM 724 CA ILE A 44 3.143 -21.541 12.460 1.00 0.00 C ATOM 725 C ILE A 44 2.058 -20.474 12.298 1.00 0.00 C ATOM 726 O ILE A 44 0.943 -20.630 12.804 1.00 0.00 O ATOM 727 CB ILE A 44 3.018 -22.628 11.360 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.601 -24.015 11.744 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.675 -22.125 10.066 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.426 -25.114 10.688 1.00 0.00 C ATOM 0 H ILE A 44 1.956 -22.249 13.996 1.00 0.00 H new ATOM 0 HA ILE A 44 4.140 -21.111 12.361 1.00 0.00 H new ATOM 0 HB ILE A 44 1.949 -22.791 11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.665 -23.899 11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.130 -24.345 12.670 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.587 -22.888 9.293 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.176 -21.214 9.735 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.728 -21.915 10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.866 -26.042 11.052 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.364 -25.267 10.495 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.923 -24.814 9.765 1.00 0.00 H new ATOM 742 N LEU A 45 2.355 -19.423 11.544 1.00 0.00 N ATOM 743 CA LEU A 45 1.389 -18.446 11.067 1.00 0.00 C ATOM 744 C LEU A 45 1.785 -18.230 9.615 1.00 0.00 C ATOM 745 O LEU A 45 2.961 -17.984 9.355 1.00 0.00 O ATOM 746 CB LEU A 45 1.483 -17.174 11.930 1.00 0.00 C ATOM 747 CG LEU A 45 0.357 -16.141 11.718 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.472 -15.058 12.796 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.397 -15.453 10.345 1.00 0.00 C ATOM 0 H LEU A 45 3.307 -19.222 11.239 1.00 0.00 H new ATOM 0 HA LEU A 45 0.347 -18.759 11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.489 -17.468 12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.439 -16.690 11.729 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.583 -16.690 11.778 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.319 -14.321 12.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.375 -15.514 13.781 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.442 -14.568 12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.425 -14.741 10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.344 -14.927 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.300 -16.202 9.560 1.00 0.00 H new ATOM 761 N ALA A 46 0.860 -18.367 8.669 1.00 0.00 N ATOM 762 CA ALA A 46 1.150 -18.224 7.252 1.00 0.00 C ATOM 763 C ALA A 46 0.032 -17.441 6.586 1.00 0.00 C ATOM 764 O ALA A 46 -1.130 -17.547 6.980 1.00 0.00 O ATOM 765 CB ALA A 46 1.317 -19.600 6.605 1.00 0.00 C ATOM 0 H ALA A 46 -0.117 -18.582 8.869 1.00 0.00 H new ATOM 0 HA ALA A 46 2.085 -17.678 7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.534 -19.479 5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.139 -20.131 7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.397 -20.172 6.724 1.00 0.00 H new ATOM 771 N GLU A 47 0.386 -16.665 5.571 1.00 0.00 N ATOM 772 CA GLU A 47 -0.480 -15.700 4.922 1.00 0.00 C ATOM 773 C GLU A 47 -0.249 -15.847 3.420 1.00 0.00 C ATOM 774 O GLU A 47 0.903 -15.882 2.967 1.00 0.00 O ATOM 775 CB GLU A 47 -0.178 -14.272 5.426 1.00 0.00 C ATOM 776 CG GLU A 47 -0.191 -14.186 6.960 1.00 0.00 C ATOM 777 CD GLU A 47 -0.383 -12.770 7.503 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.486 -11.888 7.306 1.00 0.00 O ATOM 779 OE2 GLU A 47 -1.379 -12.558 8.223 1.00 0.00 O ATOM 0 H GLU A 47 1.321 -16.694 5.164 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.529 -15.881 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.796 -13.955 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.915 -13.581 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.990 -14.822 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.747 -14.587 7.344 1.00 0.00 H new ATOM 786 N GLY A 48 -1.330 -15.989 2.654 1.00 0.00 N ATOM 787 CA GLY A 48 -1.261 -16.331 1.239 1.00 0.00 C ATOM 788 C GLY A 48 -2.636 -16.714 0.698 1.00 0.00 C ATOM 789 O GLY A 48 -3.641 -16.475 1.373 1.00 0.00 O ATOM 0 H GLY A 48 -2.281 -15.869 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.868 -15.484 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.567 -17.159 1.095 1.00 0.00 H new ATOM 793 N PRO A 49 -2.715 -17.266 -0.524 1.00 0.00 N ATOM 794 CA PRO A 49 -3.962 -17.788 -1.061 1.00 0.00 C ATOM 795 C PRO A 49 -4.357 -19.074 -0.325 1.00 0.00 C ATOM 796 O PRO A 49 -3.507 -19.856 0.112 1.00 0.00 O ATOM 797 CB PRO A 49 -3.698 -18.015 -2.552 1.00 0.00 C ATOM 798 CG PRO A 49 -2.196 -18.283 -2.621 1.00 0.00 C ATOM 799 CD PRO A 49 -1.620 -17.464 -1.464 1.00 0.00 C ATOM 0 HA PRO A 49 -4.801 -17.106 -0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.273 -18.858 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.976 -17.143 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.974 -19.344 -2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.778 -17.970 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.790 -17.989 -0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.233 -16.509 -1.818 1.00 0.00 H new ATOM 807 N GLU A 50 -5.665 -19.317 -0.227 1.00 0.00 N ATOM 808 CA GLU A 50 -6.236 -20.416 0.544 1.00 0.00 C ATOM 809 C GLU A 50 -5.771 -21.783 0.020 1.00 0.00 C ATOM 810 O GLU A 50 -5.614 -22.722 0.798 1.00 0.00 O ATOM 811 CB GLU A 50 -7.767 -20.282 0.500 1.00 0.00 C ATOM 812 CG GLU A 50 -8.497 -21.296 1.391 1.00 0.00 C ATOM 813 CD GLU A 50 -10.024 -21.162 1.255 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.646 -20.364 1.992 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.626 -21.864 0.409 1.00 0.00 O ATOM 0 H GLU A 50 -6.368 -18.743 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.889 -20.359 1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.044 -19.274 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.105 -20.405 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.193 -22.307 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.208 -21.144 2.431 1.00 0.00 H new ATOM 822 N ASN A 51 -5.539 -21.929 -1.289 1.00 0.00 N ATOM 823 CA ASN A 51 -5.072 -23.199 -1.854 1.00 0.00 C ATOM 824 C ASN A 51 -3.642 -23.518 -1.417 1.00 0.00 C ATOM 825 O ASN A 51 -3.334 -24.669 -1.095 1.00 0.00 O ATOM 826 CB ASN A 51 -5.161 -23.173 -3.386 1.00 0.00 C ATOM 827 CG ASN A 51 -4.579 -24.454 -3.986 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.453 -24.466 -4.472 1.00 0.00 O ATOM 829 ND2 ASN A 51 -5.319 -25.549 -3.957 1.00 0.00 N ATOM 0 H ASN A 51 -5.667 -21.185 -1.975 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.724 -23.985 -1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.201 -23.063 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.622 -22.308 -3.771 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.955 -26.421 -4.342 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.254 -25.522 -3.549 1.00 0.00 H new ATOM 836 N ALA A 52 -2.777 -22.502 -1.368 1.00 0.00 N ATOM 837 CA ALA A 52 -1.412 -22.674 -0.891 1.00 0.00 C ATOM 838 C ALA A 52 -1.426 -22.971 0.606 1.00 0.00 C ATOM 839 O ALA A 52 -0.702 -23.856 1.047 1.00 0.00 O ATOM 840 CB ALA A 52 -0.571 -21.430 -1.191 1.00 0.00 C ATOM 0 H ALA A 52 -3.004 -21.550 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.958 -23.516 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.445 -21.581 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.548 -21.257 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.010 -20.565 -0.694 1.00 0.00 H new ATOM 846 N LEU A 53 -2.270 -22.279 1.377 1.00 0.00 N ATOM 847 CA LEU A 53 -2.418 -22.491 2.816 1.00 0.00 C ATOM 848 C LEU A 53 -2.895 -23.915 3.121 1.00 0.00 C ATOM 849 O LEU A 53 -2.342 -24.567 4.006 1.00 0.00 O ATOM 850 CB LEU A 53 -3.381 -21.426 3.381 1.00 0.00 C ATOM 851 CG LEU A 53 -2.702 -20.264 4.134 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.475 -19.682 3.425 1.00 0.00 C ATOM 853 CD2 LEU A 53 -3.714 -19.132 4.331 1.00 0.00 C ATOM 0 H LEU A 53 -2.878 -21.546 1.012 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.449 -22.382 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.965 -21.013 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.083 -21.915 4.056 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.357 -20.684 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.060 -18.871 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.723 -20.461 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.767 -19.299 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.239 -18.308 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.063 -18.783 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.561 -19.498 4.911 1.00 0.00 H new ATOM 865 N GLN A 54 -3.865 -24.428 2.361 1.00 0.00 N ATOM 866 CA GLN A 54 -4.317 -25.812 2.475 1.00 0.00 C ATOM 867 C GLN A 54 -3.169 -26.775 2.170 1.00 0.00 C ATOM 868 O GLN A 54 -2.874 -27.659 2.974 1.00 0.00 O ATOM 869 CB GLN A 54 -5.488 -26.043 1.510 1.00 0.00 C ATOM 870 CG GLN A 54 -6.818 -25.526 2.073 1.00 0.00 C ATOM 871 CD GLN A 54 -7.906 -25.597 1.008 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.759 -26.482 1.006 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.872 -24.672 0.064 1.00 0.00 N ATOM 0 H GLN A 54 -4.359 -23.892 1.648 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.652 -26.000 3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.279 -25.545 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.576 -27.108 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.109 -26.119 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.701 -24.498 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.155 -23.947 0.086 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.563 -24.683 -0.686 1.00 0.00 H new ATOM 882 N SER A 55 -2.487 -26.596 1.037 1.00 0.00 N ATOM 883 CA SER A 55 -1.405 -27.489 0.627 1.00 0.00 C ATOM 884 C SER A 55 -0.248 -27.451 1.638 1.00 0.00 C ATOM 885 O SER A 55 0.378 -28.473 1.922 1.00 0.00 O ATOM 886 CB SER A 55 -0.924 -27.087 -0.775 1.00 0.00 C ATOM 887 OG SER A 55 -2.003 -27.017 -1.695 1.00 0.00 O ATOM 0 H SER A 55 -2.668 -25.834 0.384 1.00 0.00 H new ATOM 0 HA SER A 55 -1.777 -28.513 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.423 -26.120 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.189 -27.809 -1.129 1.00 0.00 H new ATOM 0 HG SER A 55 -2.547 -26.225 -1.501 1.00 0.00 H new ATOM 893 N PHE A 56 0.013 -26.282 2.223 1.00 0.00 N ATOM 894 CA PHE A 56 1.001 -26.089 3.263 1.00 0.00 C ATOM 895 C PHE A 56 0.599 -26.843 4.533 1.00 0.00 C ATOM 896 O PHE A 56 1.448 -27.518 5.105 1.00 0.00 O ATOM 897 CB PHE A 56 1.170 -24.583 3.481 1.00 0.00 C ATOM 898 CG PHE A 56 2.158 -24.168 4.548 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.520 -24.509 4.433 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.724 -23.370 5.623 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.444 -24.042 5.382 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.648 -22.909 6.571 1.00 0.00 C ATOM 903 CZ PHE A 56 4.010 -23.226 6.441 1.00 0.00 C ATOM 0 H PHE A 56 -0.477 -25.423 1.973 1.00 0.00 H new ATOM 0 HA PHE A 56 1.966 -26.502 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.477 -24.133 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.197 -24.162 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.854 -25.130 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.679 -23.113 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.487 -24.310 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.312 -22.309 7.403 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.724 -22.843 7.155 1.00 0.00 H new ATOM 913 N VAL A 57 -0.674 -26.829 4.946 1.00 0.00 N ATOM 914 CA VAL A 57 -1.137 -27.681 6.040 1.00 0.00 C ATOM 915 C VAL A 57 -0.879 -29.152 5.701 1.00 0.00 C ATOM 916 O VAL A 57 -0.379 -29.875 6.560 1.00 0.00 O ATOM 917 CB VAL A 57 -2.611 -27.384 6.396 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.272 -28.484 7.244 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.692 -26.077 7.193 1.00 0.00 C ATOM 0 H VAL A 57 -1.398 -26.237 4.538 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.566 -27.455 6.941 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.143 -27.322 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.305 -28.209 7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.253 -29.426 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.727 -28.598 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.732 -25.868 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.110 -26.173 8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.292 -25.260 6.593 1.00 0.00 H new ATOM 929 N GLU A 58 -1.158 -29.602 4.472 1.00 0.00 N ATOM 930 CA GLU A 58 -0.923 -30.996 4.092 1.00 0.00 C ATOM 931 C GLU A 58 0.565 -31.357 4.198 1.00 0.00 C ATOM 932 O GLU A 58 0.911 -32.448 4.655 1.00 0.00 O ATOM 933 CB GLU A 58 -1.470 -31.295 2.685 1.00 0.00 C ATOM 934 CG GLU A 58 -2.995 -31.148 2.561 1.00 0.00 C ATOM 935 CD GLU A 58 -3.762 -32.175 3.415 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.042 -31.898 4.604 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.101 -33.264 2.896 1.00 0.00 O ATOM 0 H GLU A 58 -1.545 -29.022 3.728 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.468 -31.625 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.992 -30.625 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.190 -32.311 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.285 -30.142 2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.283 -31.263 1.516 1.00 0.00 H new ATOM 944 N ALA A 59 1.454 -30.431 3.840 1.00 0.00 N ATOM 945 CA ALA A 59 2.888 -30.601 4.018 1.00 0.00 C ATOM 946 C ALA A 59 3.252 -30.681 5.505 1.00 0.00 C ATOM 947 O ALA A 59 4.034 -31.544 5.906 1.00 0.00 O ATOM 948 CB ALA A 59 3.644 -29.456 3.341 1.00 0.00 C ATOM 0 H ALA A 59 1.195 -29.540 3.417 1.00 0.00 H new ATOM 0 HA ALA A 59 3.182 -31.541 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.716 -29.595 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.415 -29.449 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.340 -28.507 3.783 1.00 0.00 H new ATOM 954 N VAL A 60 2.677 -29.810 6.334 1.00 0.00 N ATOM 955 CA VAL A 60 2.954 -29.765 7.761 1.00 0.00 C ATOM 956 C VAL A 60 2.508 -31.080 8.403 1.00 0.00 C ATOM 957 O VAL A 60 3.306 -31.676 9.122 1.00 0.00 O ATOM 958 CB VAL A 60 2.299 -28.511 8.379 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.333 -28.519 9.912 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.019 -27.232 7.916 1.00 0.00 C ATOM 0 H VAL A 60 2.000 -29.111 6.027 1.00 0.00 H new ATOM 0 HA VAL A 60 4.023 -29.673 7.951 1.00 0.00 H new ATOM 0 HB VAL A 60 1.263 -28.526 8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.859 -27.614 10.291 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.797 -29.392 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.368 -28.557 10.253 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.540 -26.362 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.064 -27.270 8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.965 -27.157 6.830 1.00 0.00 H new ATOM 970 N LYS A 61 1.292 -31.579 8.132 1.00 0.00 N ATOM 971 CA LYS A 61 0.844 -32.842 8.726 1.00 0.00 C ATOM 972 C LYS A 61 1.610 -34.051 8.183 1.00 0.00 C ATOM 973 O LYS A 61 1.730 -35.038 8.908 1.00 0.00 O ATOM 974 CB LYS A 61 -0.681 -33.054 8.661 1.00 0.00 C ATOM 975 CG LYS A 61 -1.304 -32.971 7.261 1.00 0.00 C ATOM 976 CD LYS A 61 -2.467 -33.949 7.028 1.00 0.00 C ATOM 977 CE LYS A 61 -3.764 -33.608 7.779 1.00 0.00 C ATOM 978 NZ LYS A 61 -4.373 -32.337 7.313 1.00 0.00 N ATOM 0 H LYS A 61 0.613 -31.134 7.515 1.00 0.00 H new ATOM 0 HA LYS A 61 1.086 -32.755 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.912 -34.032 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.160 -32.310 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.660 -31.954 7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.529 -33.163 6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.682 -33.986 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.146 -34.948 7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.480 -34.420 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.554 -33.537 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.348 -32.268 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.817 -31.534 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.382 -32.317 6.273 1.00 0.00 H new ATOM 992 N ASN A 62 2.156 -33.998 6.960 1.00 0.00 N ATOM 993 CA ASN A 62 3.088 -35.026 6.494 1.00 0.00 C ATOM 994 C ASN A 62 4.320 -35.066 7.401 1.00 0.00 C ATOM 995 O ASN A 62 4.795 -36.143 7.763 1.00 0.00 O ATOM 996 CB ASN A 62 3.520 -34.786 5.040 1.00 0.00 C ATOM 997 CG ASN A 62 4.404 -35.924 4.530 1.00 0.00 C ATOM 998 OD1 ASN A 62 3.907 -36.889 3.958 1.00 0.00 O ATOM 999 ND2 ASN A 62 5.714 -35.853 4.709 1.00 0.00 N ATOM 0 H ASN A 62 1.968 -33.259 6.283 1.00 0.00 H new ATOM 0 HA ASN A 62 2.570 -35.984 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.638 -34.695 4.406 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.061 -33.842 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.316 -36.603 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.121 -35.048 5.185 1.00 0.00 H new ATOM 1006 N GLY A 63 4.802 -33.885 7.788 1.00 0.00 N ATOM 1007 CA GLY A 63 5.990 -33.704 8.603 1.00 0.00 C ATOM 1008 C GLY A 63 7.260 -33.885 7.775 1.00 0.00 C ATOM 1009 O GLY A 63 7.214 -34.305 6.613 1.00 0.00 O ATOM 0 H GLY A 63 4.358 -33.003 7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.981 -32.709 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.983 -34.420 9.425 1.00 0.00 H new ATOM 1013 N SER A 64 8.396 -33.539 8.379 1.00 0.00 N ATOM 1014 CA SER A 64 9.709 -33.644 7.756 1.00 0.00 C ATOM 1015 C SER A 64 10.094 -35.116 7.513 1.00 0.00 C ATOM 1016 O SER A 64 9.537 -36.009 8.162 1.00 0.00 O ATOM 1017 CB SER A 64 10.770 -32.938 8.624 1.00 0.00 C ATOM 1018 OG SER A 64 10.200 -32.184 9.690 1.00 0.00 O ATOM 0 H SER A 64 8.427 -33.172 9.330 1.00 0.00 H new ATOM 0 HA SER A 64 9.666 -33.149 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.450 -33.684 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.365 -32.276 7.995 1.00 0.00 H new ATOM 0 HG SER A 64 9.613 -31.490 9.323 1.00 0.00 H new ATOM 1024 N PRO A 65 11.098 -35.392 6.655 1.00 0.00 N ATOM 1025 CA PRO A 65 11.630 -36.736 6.413 1.00 0.00 C ATOM 1026 C PRO A 65 12.113 -37.498 7.660 1.00 0.00 C ATOM 1027 O PRO A 65 12.346 -38.706 7.577 1.00 0.00 O ATOM 1028 CB PRO A 65 12.796 -36.549 5.434 1.00 0.00 C ATOM 1029 CG PRO A 65 12.455 -35.254 4.704 1.00 0.00 C ATOM 1030 CD PRO A 65 11.762 -34.429 5.784 1.00 0.00 C ATOM 0 HA PRO A 65 10.820 -37.356 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.749 -36.474 5.957 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.877 -37.388 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.348 -34.756 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.802 -35.431 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.482 -33.830 6.341 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.043 -33.737 5.346 1.00 0.00 H new ATOM 1038 N PHE A 66 12.280 -36.818 8.800 1.00 0.00 N ATOM 1039 CA PHE A 66 12.877 -37.351 10.022 1.00 0.00 C ATOM 1040 C PHE A 66 11.896 -37.266 11.200 1.00 0.00 C ATOM 1041 O PHE A 66 12.311 -37.426 12.350 1.00 0.00 O ATOM 1042 CB PHE A 66 14.175 -36.577 10.319 1.00 0.00 C ATOM 1043 CG PHE A 66 15.108 -36.424 9.128 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.800 -37.542 8.623 1.00 0.00 C ATOM 1045 CD2 PHE A 66 15.256 -35.171 8.501 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.634 -37.407 7.498 1.00 0.00 C ATOM 1047 CE2 PHE A 66 16.090 -35.036 7.376 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.779 -36.154 6.873 1.00 0.00 C ATOM 0 H PHE A 66 11.991 -35.845 8.897 1.00 0.00 H new ATOM 0 HA PHE A 66 13.111 -38.406 9.881 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.914 -35.585 10.689 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.711 -37.086 11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.690 -38.505 9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.727 -34.311 8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 66 17.164 -38.266 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.201 -34.074 6.899 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.418 -36.051 6.009 1.00 0.00 H new ATOM 1058 N SER A 67 10.613 -37.013 10.932 1.00 0.00 N ATOM 1059 CA SER A 67 9.640 -36.519 11.904 1.00 0.00 C ATOM 1060 C SER A 67 8.347 -37.340 11.821 1.00 0.00 C ATOM 1061 O SER A 67 8.133 -38.078 10.854 1.00 0.00 O ATOM 1062 CB SER A 67 9.363 -35.043 11.585 1.00 0.00 C ATOM 1063 OG SER A 67 10.573 -34.342 11.365 1.00 0.00 O ATOM 0 H SER A 67 10.212 -37.151 10.004 1.00 0.00 H new ATOM 0 HA SER A 67 10.031 -36.615 12.917 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.729 -34.970 10.701 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.816 -34.584 12.409 1.00 0.00 H new ATOM 0 HG SER A 67 10.383 -33.500 10.901 1.00 0.00 H new ATOM 1069 N LYS A 68 7.464 -37.202 12.817 1.00 0.00 N ATOM 1070 CA LYS A 68 6.149 -37.840 12.828 1.00 0.00 C ATOM 1071 C LYS A 68 5.198 -36.947 13.612 1.00 0.00 C ATOM 1072 O LYS A 68 5.233 -36.927 14.842 1.00 0.00 O ATOM 1073 CB LYS A 68 6.239 -39.265 13.417 1.00 0.00 C ATOM 1074 CG LYS A 68 4.885 -39.984 13.569 1.00 0.00 C ATOM 1075 CD LYS A 68 4.111 -40.146 12.250 1.00 0.00 C ATOM 1076 CE LYS A 68 2.781 -40.861 12.519 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.978 -41.039 11.283 1.00 0.00 N ATOM 0 H LYS A 68 7.648 -36.637 13.646 1.00 0.00 H new ATOM 0 HA LYS A 68 5.769 -37.955 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.885 -39.867 12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.718 -39.210 14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.055 -40.970 14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.267 -39.428 14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.927 -39.169 11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.705 -40.717 11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.979 -41.836 12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.204 -40.289 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.089 -41.526 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.766 -40.108 10.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.516 -41.607 10.598 1.00 0.00 H new ATOM 1091 N VAL A 69 4.357 -36.202 12.901 1.00 0.00 N ATOM 1092 CA VAL A 69 3.214 -35.526 13.500 1.00 0.00 C ATOM 1093 C VAL A 69 2.267 -36.597 14.054 1.00 0.00 C ATOM 1094 O VAL A 69 2.093 -37.652 13.437 1.00 0.00 O ATOM 1095 CB VAL A 69 2.541 -34.646 12.425 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.236 -33.999 12.909 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.502 -33.539 11.971 1.00 0.00 C ATOM 0 H VAL A 69 4.449 -36.051 11.896 1.00 0.00 H new ATOM 0 HA VAL A 69 3.510 -34.874 14.322 1.00 0.00 H new ATOM 0 HB VAL A 69 2.295 -35.309 11.596 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.811 -33.393 12.108 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.527 -34.777 13.190 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.442 -33.366 13.772 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.017 -32.924 11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.770 -32.917 12.825 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.403 -33.988 11.552 1.00 0.00 H new ATOM 1107 N THR A 70 1.616 -36.304 15.179 1.00 0.00 N ATOM 1108 CA THR A 70 0.573 -37.134 15.767 1.00 0.00 C ATOM 1109 C THR A 70 -0.721 -36.328 15.971 1.00 0.00 C ATOM 1110 O THR A 70 -1.792 -36.927 16.097 1.00 0.00 O ATOM 1111 CB THR A 70 1.093 -37.767 17.073 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.496 -36.774 17.996 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.313 -38.663 16.818 1.00 0.00 C ATOM 0 H THR A 70 1.807 -35.460 15.719 1.00 0.00 H new ATOM 0 HA THR A 70 0.322 -37.945 15.083 1.00 0.00 H new ATOM 0 HB THR A 70 0.268 -38.355 17.474 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.820 -37.202 18.816 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.653 -39.092 17.761 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.039 -39.465 16.132 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.115 -38.069 16.380 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.661 -34.989 15.953 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.827 -34.109 16.019 1.00 0.00 C ATOM 1123 C ASP A 71 -1.500 -32.779 15.347 1.00 0.00 C ATOM 1124 O ASP A 71 -0.352 -32.332 15.367 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.225 -33.855 17.481 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.448 -32.932 17.577 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.536 -33.322 17.097 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.333 -31.824 18.146 1.00 0.00 O ATOM 0 H ASP A 71 0.221 -34.480 15.891 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.659 -34.590 15.504 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.444 -34.804 17.970 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.387 -33.408 18.015 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.513 -32.140 14.764 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.419 -30.839 14.121 1.00 0.00 C ATOM 1135 C ILE A 72 -3.760 -30.123 14.331 1.00 0.00 C ATOM 1136 O ILE A 72 -4.812 -30.770 14.361 1.00 0.00 O ATOM 1137 CB ILE A 72 -2.022 -31.012 12.630 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.766 -29.637 11.971 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -3.039 -31.858 11.834 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.157 -29.729 10.568 1.00 0.00 C ATOM 0 H ILE A 72 -3.454 -32.532 14.727 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.636 -30.220 14.558 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.089 -31.576 12.607 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.708 -29.091 11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.100 -29.057 12.609 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.709 -31.945 10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.111 -32.852 12.276 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.016 -31.376 11.864 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.006 -28.725 10.170 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.199 -30.246 10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.832 -30.281 9.914 1.00 0.00 H new ATOM 1152 N SER A 73 -3.722 -28.799 14.463 1.00 0.00 N ATOM 1153 CA SER A 73 -4.885 -27.926 14.582 1.00 0.00 C ATOM 1154 C SER A 73 -4.615 -26.653 13.778 1.00 0.00 C ATOM 1155 O SER A 73 -3.456 -26.276 13.581 1.00 0.00 O ATOM 1156 CB SER A 73 -5.132 -27.578 16.059 1.00 0.00 C ATOM 1157 OG SER A 73 -5.357 -28.734 16.853 1.00 0.00 O ATOM 0 H SER A 73 -2.842 -28.284 14.491 1.00 0.00 H new ATOM 0 HA SER A 73 -5.772 -28.428 14.196 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.273 -27.032 16.450 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.993 -26.914 16.135 1.00 0.00 H new ATOM 0 HG SER A 73 -5.508 -28.467 17.784 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.675 -25.982 13.326 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.598 -24.796 12.488 1.00 0.00 C ATOM 1165 C VAL A 74 -6.646 -23.773 12.944 1.00 0.00 C ATOM 1166 O VAL A 74 -7.708 -24.143 13.456 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.733 -25.250 11.018 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -7.154 -25.679 10.617 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -5.208 -24.202 10.028 1.00 0.00 C ATOM 0 H VAL A 74 -6.633 -26.259 13.541 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.641 -24.282 12.579 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.104 -26.138 10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.161 -25.983 9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.471 -26.516 11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.839 -24.843 10.757 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.327 -24.572 9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.771 -23.276 10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.153 -24.012 10.224 1.00 0.00 H new ATOM 1179 N THR A 75 -6.343 -22.491 12.753 1.00 0.00 N ATOM 1180 CA THR A 75 -7.219 -21.350 13.003 1.00 0.00 C ATOM 1181 C THR A 75 -7.049 -20.403 11.803 1.00 0.00 C ATOM 1182 O THR A 75 -6.055 -20.505 11.078 1.00 0.00 O ATOM 1183 CB THR A 75 -6.849 -20.681 14.348 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.544 -21.636 15.353 1.00 0.00 O ATOM 1185 CG2 THR A 75 -7.969 -19.792 14.901 1.00 0.00 C ATOM 0 H THR A 75 -5.430 -22.205 12.400 1.00 0.00 H new ATOM 0 HA THR A 75 -8.265 -21.644 13.093 1.00 0.00 H new ATOM 0 HB THR A 75 -5.975 -20.072 14.117 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.314 -21.173 16.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.650 -19.351 15.845 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.191 -18.999 14.186 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.863 -20.393 15.065 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.994 -19.493 11.565 1.00 0.00 N ATOM 1194 CA GLU A 76 -8.075 -18.712 10.333 1.00 0.00 C ATOM 1195 C GLU A 76 -8.379 -17.246 10.643 1.00 0.00 C ATOM 1196 O GLU A 76 -8.922 -16.924 11.703 1.00 0.00 O ATOM 1197 CB GLU A 76 -9.204 -19.281 9.454 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.774 -20.536 8.695 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.965 -21.206 7.987 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.401 -20.723 6.919 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.480 -22.229 8.496 1.00 0.00 O ATOM 0 H GLU A 76 -8.734 -19.276 12.232 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.118 -18.772 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.065 -19.515 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.525 -18.521 8.742 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.013 -20.274 7.960 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.318 -21.243 9.388 1.00 0.00 H new ATOM 1208 N SER A 77 -8.074 -16.359 9.693 1.00 0.00 N ATOM 1209 CA SER A 77 -8.550 -14.977 9.649 1.00 0.00 C ATOM 1210 C SER A 77 -8.463 -14.466 8.207 1.00 0.00 C ATOM 1211 O SER A 77 -7.535 -14.818 7.479 1.00 0.00 O ATOM 1212 CB SER A 77 -7.689 -14.092 10.566 1.00 0.00 C ATOM 1213 OG SER A 77 -7.888 -14.434 11.926 1.00 0.00 O ATOM 0 H SER A 77 -7.468 -16.593 8.907 1.00 0.00 H new ATOM 0 HA SER A 77 -9.583 -14.937 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.637 -14.208 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.942 -13.043 10.409 1.00 0.00 H new ATOM 0 HG SER A 77 -8.371 -15.285 11.982 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.410 -13.618 7.787 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.255 -12.813 6.569 1.00 0.00 C ATOM 1221 C ARG A 78 -8.366 -11.603 6.845 1.00 0.00 C ATOM 1222 O ARG A 78 -7.620 -11.195 5.955 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.631 -12.381 6.032 1.00 0.00 C ATOM 1224 CG ARG A 78 -11.224 -13.417 5.061 1.00 0.00 C ATOM 1225 CD ARG A 78 -10.602 -13.351 3.654 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.016 -12.120 2.947 1.00 0.00 N ATOM 1227 CZ ARG A 78 -10.252 -11.064 2.633 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -8.932 -11.093 2.785 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -10.830 -9.963 2.162 1.00 0.00 N ATOM 0 H ARG A 78 -10.294 -13.471 8.274 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.772 -13.421 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.316 -12.234 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.537 -11.421 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.076 -14.416 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.300 -13.260 4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.515 -13.382 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.905 -14.225 3.077 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.995 -12.068 2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.479 -11.932 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.372 -10.277 2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.843 -9.929 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.261 -9.152 1.919 1.00 0.00 H new ATOM 1243 N SER A 79 -8.415 -11.052 8.060 1.00 0.00 N ATOM 1244 CA SER A 79 -7.442 -10.096 8.553 1.00 0.00 C ATOM 1245 C SER A 79 -6.051 -10.730 8.489 1.00 0.00 C ATOM 1246 O SER A 79 -5.904 -11.942 8.678 1.00 0.00 O ATOM 1247 CB SER A 79 -7.804 -9.703 9.992 1.00 0.00 C ATOM 1248 OG SER A 79 -9.186 -9.385 10.097 1.00 0.00 O ATOM 0 H SER A 79 -9.149 -11.267 8.735 1.00 0.00 H new ATOM 0 HA SER A 79 -7.445 -9.195 7.940 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.562 -10.522 10.669 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.205 -8.847 10.301 1.00 0.00 H new ATOM 0 HG SER A 79 -9.396 -9.139 11.022 1.00 0.00 H new ATOM 1254 N LEU A 80 -5.038 -9.901 8.252 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.649 -10.314 8.074 1.00 0.00 C ATOM 1256 C LEU A 80 -2.772 -9.511 9.031 1.00 0.00 C ATOM 1257 O LEU A 80 -3.108 -8.376 9.378 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.172 -10.050 6.631 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.992 -10.683 5.491 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -3.370 -10.283 4.150 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.067 -12.210 5.573 1.00 0.00 C ATOM 0 H LEU A 80 -5.165 -8.892 8.176 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.575 -11.382 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.152 -8.972 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.145 -10.404 6.545 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.012 -10.310 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.944 -10.726 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.382 -9.197 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.341 -10.640 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.659 -12.590 4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.061 -12.627 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.535 -12.501 6.514 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.615 -10.058 9.400 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.538 -9.284 10.004 1.00 0.00 C ATOM 1275 C GLU A 81 0.155 -8.459 8.913 1.00 0.00 C ATOM 1276 O GLU A 81 0.559 -7.320 9.156 1.00 0.00 O ATOM 1277 CB GLU A 81 0.488 -10.190 10.706 1.00 0.00 C ATOM 1278 CG GLU A 81 -0.089 -11.250 11.656 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.185 -10.711 12.595 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -0.890 -9.838 13.444 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -2.342 -11.182 12.508 1.00 0.00 O ATOM 0 H GLU A 81 -1.400 -11.049 9.288 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.967 -8.627 10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.078 -10.697 9.942 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.174 -9.559 11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.500 -12.069 11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.720 -11.665 12.257 1.00 0.00 H new ATOM 1288 N GLY A 82 0.252 -9.019 7.701 1.00 0.00 N ATOM 1289 CA GLY A 82 0.796 -8.355 6.524 1.00 0.00 C ATOM 1290 C GLY A 82 2.245 -8.763 6.272 1.00 0.00 C ATOM 1291 O GLY A 82 3.057 -7.916 5.889 1.00 0.00 O ATOM 0 H GLY A 82 -0.056 -9.973 7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.190 -8.603 5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.739 -7.274 6.655 1.00 0.00 H new ATOM 1295 N HIS A 83 2.601 -10.025 6.531 1.00 0.00 N ATOM 1296 CA HIS A 83 3.942 -10.528 6.266 1.00 0.00 C ATOM 1297 C HIS A 83 4.287 -10.367 4.777 1.00 0.00 C ATOM 1298 O HIS A 83 3.413 -10.469 3.912 1.00 0.00 O ATOM 1299 CB HIS A 83 4.042 -12.003 6.665 1.00 0.00 C ATOM 1300 CG HIS A 83 3.921 -12.278 8.138 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.749 -12.430 8.836 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.948 -12.525 9.009 1.00 0.00 C ATOM 1303 CE1 HIS A 83 3.057 -12.750 10.102 1.00 0.00 C ATOM 1304 NE2 HIS A 83 4.391 -12.822 10.257 1.00 0.00 N ATOM 0 H HIS A 83 1.968 -10.719 6.928 1.00 0.00 H new ATOM 0 HA HIS A 83 4.652 -9.951 6.858 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.262 -12.558 6.143 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.998 -12.393 6.316 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.808 -12.319 8.458 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.002 -12.496 8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.335 -12.925 10.886 1.00 0.00 H new ATOM 1312 N HIS A 84 5.578 -10.181 4.490 1.00 0.00 N ATOM 1313 CA HIS A 84 6.127 -10.067 3.133 1.00 0.00 C ATOM 1314 C HIS A 84 7.259 -11.083 2.887 1.00 0.00 C ATOM 1315 O HIS A 84 7.731 -11.215 1.756 1.00 0.00 O ATOM 1316 CB HIS A 84 6.591 -8.619 2.885 1.00 0.00 C ATOM 1317 CG HIS A 84 5.471 -7.641 2.603 1.00 0.00 C ATOM 1318 ND1 HIS A 84 4.467 -7.235 3.459 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.275 -6.973 1.421 1.00 0.00 C ATOM 1320 CE1 HIS A 84 3.689 -6.357 2.807 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.143 -6.158 1.555 1.00 0.00 N ATOM 0 H HIS A 84 6.292 -10.103 5.215 1.00 0.00 H new ATOM 0 HA HIS A 84 5.341 -10.308 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.146 -8.274 3.757 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.283 -8.612 2.043 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.339 -7.548 4.421 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.889 -7.060 0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.819 -5.876 3.228 1.00 0.00 H new ATOM 1329 N ARG A 85 7.684 -11.824 3.920 1.00 0.00 N ATOM 1330 CA ARG A 85 8.639 -12.933 3.863 1.00 0.00 C ATOM 1331 C ARG A 85 8.134 -14.004 4.829 1.00 0.00 C ATOM 1332 O ARG A 85 7.215 -13.733 5.607 1.00 0.00 O ATOM 1333 CB ARG A 85 10.050 -12.461 4.274 1.00 0.00 C ATOM 1334 CG ARG A 85 10.674 -11.451 3.295 1.00 0.00 C ATOM 1335 CD ARG A 85 12.097 -11.048 3.710 1.00 0.00 C ATOM 1336 NE ARG A 85 13.053 -12.167 3.601 1.00 0.00 N ATOM 1337 CZ ARG A 85 14.264 -12.219 4.174 1.00 0.00 C ATOM 1338 NH1 ARG A 85 14.711 -11.206 4.912 1.00 0.00 N ATOM 1339 NH2 ARG A 85 15.027 -13.294 4.004 1.00 0.00 N ATOM 0 H ARG A 85 7.351 -11.654 4.869 1.00 0.00 H new ATOM 0 HA ARG A 85 8.713 -13.325 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.998 -12.009 5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.705 -13.329 4.354 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.697 -11.883 2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.046 -10.561 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.435 -10.223 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.084 -10.684 4.737 1.00 0.00 H new ATOM 0 HE ARG A 85 12.768 -12.971 3.041 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.131 -10.378 5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.634 -11.257 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.690 -14.074 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.949 -13.339 4.438 1.00 0.00 H new ATOM 1353 N PHE A 86 8.717 -15.203 4.806 1.00 0.00 N ATOM 1354 CA PHE A 86 8.421 -16.254 5.774 1.00 0.00 C ATOM 1355 C PHE A 86 9.692 -16.506 6.584 1.00 0.00 C ATOM 1356 O PHE A 86 10.766 -16.592 5.980 1.00 0.00 O ATOM 1357 CB PHE A 86 7.910 -17.516 5.064 1.00 0.00 C ATOM 1358 CG PHE A 86 7.367 -18.560 6.020 1.00 0.00 C ATOM 1359 CD1 PHE A 86 8.243 -19.478 6.621 1.00 0.00 C ATOM 1360 CD2 PHE A 86 5.995 -18.609 6.330 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.765 -20.415 7.552 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.514 -19.537 7.269 1.00 0.00 C ATOM 1363 CZ PHE A 86 6.401 -20.436 7.883 1.00 0.00 C ATOM 0 H PHE A 86 9.412 -15.472 4.110 1.00 0.00 H new ATOM 0 HA PHE A 86 7.623 -15.951 6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.128 -17.237 4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.722 -17.952 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.292 -19.464 6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.309 -17.931 5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.445 -21.117 8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.463 -19.559 7.518 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.033 -21.144 8.611 1.00 0.00 H new ATOM 1373 N SER A 87 9.590 -16.622 7.914 1.00 0.00 N ATOM 1374 CA SER A 87 10.778 -16.646 8.775 1.00 0.00 C ATOM 1375 C SER A 87 10.679 -17.666 9.916 1.00 0.00 C ATOM 1376 O SER A 87 9.634 -17.817 10.547 1.00 0.00 O ATOM 1377 CB SER A 87 10.992 -15.243 9.363 1.00 0.00 C ATOM 1378 OG SER A 87 11.038 -14.248 8.349 1.00 0.00 O ATOM 0 H SER A 87 8.704 -16.700 8.414 1.00 0.00 H new ATOM 0 HA SER A 87 11.622 -16.950 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.186 -15.014 10.061 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.921 -15.225 9.932 1.00 0.00 H new ATOM 0 HG SER A 87 11.174 -13.369 8.760 1.00 0.00 H new ATOM 1384 N ILE A 88 11.799 -18.307 10.256 1.00 0.00 N ATOM 1385 CA ILE A 88 11.943 -18.997 11.535 1.00 0.00 C ATOM 1386 C ILE A 88 12.114 -17.888 12.582 1.00 0.00 C ATOM 1387 O ILE A 88 12.898 -16.957 12.368 1.00 0.00 O ATOM 1388 CB ILE A 88 13.150 -19.970 11.501 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.000 -21.028 10.379 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.307 -20.677 12.861 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.293 -21.779 10.045 1.00 0.00 C ATOM 0 H ILE A 88 12.623 -18.361 9.658 1.00 0.00 H new ATOM 0 HA ILE A 88 11.078 -19.617 11.771 1.00 0.00 H new ATOM 0 HB ILE A 88 14.041 -19.377 11.293 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.240 -21.751 10.676 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.636 -20.535 9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.158 -21.357 12.822 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.472 -19.933 13.641 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.402 -21.242 13.084 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.100 -22.500 9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.051 -21.069 9.715 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.649 -22.303 10.932 1.00 0.00 H new ATOM 1403 N VAL A 89 11.403 -17.981 13.705 1.00 0.00 N ATOM 1404 CA VAL A 89 11.473 -17.030 14.812 1.00 0.00 C ATOM 1405 C VAL A 89 11.551 -17.810 16.133 1.00 0.00 C ATOM 1406 O VAL A 89 11.313 -19.021 16.165 1.00 0.00 O ATOM 1407 CB VAL A 89 10.294 -16.024 14.760 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.231 -15.261 13.426 1.00 0.00 C ATOM 1409 CG2 VAL A 89 8.926 -16.667 15.032 1.00 0.00 C ATOM 0 H VAL A 89 10.744 -18.741 13.874 1.00 0.00 H new ATOM 0 HA VAL A 89 12.375 -16.423 14.730 1.00 0.00 H new ATOM 0 HB VAL A 89 10.505 -15.322 15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.388 -14.570 13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.156 -14.702 13.282 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.104 -15.969 12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.149 -15.905 14.980 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.731 -17.436 14.285 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.926 -17.117 16.025 1.00 0.00 H new ATOM 1419 N TYR A 90 11.884 -17.111 17.223 1.00 0.00 N ATOM 1420 CA TYR A 90 12.181 -17.720 18.523 1.00 0.00 C ATOM 1421 C TYR A 90 11.491 -16.977 19.681 1.00 0.00 C ATOM 1422 O TYR A 90 11.636 -17.377 20.839 1.00 0.00 O ATOM 1423 CB TYR A 90 13.710 -17.757 18.720 1.00 0.00 C ATOM 1424 CG TYR A 90 14.490 -18.448 17.611 1.00 0.00 C ATOM 1425 CD1 TYR A 90 14.941 -17.710 16.497 1.00 0.00 C ATOM 1426 CD2 TYR A 90 14.769 -19.827 17.691 1.00 0.00 C ATOM 1427 CE1 TYR A 90 15.644 -18.346 15.459 1.00 0.00 C ATOM 1428 CE2 TYR A 90 15.489 -20.468 16.665 1.00 0.00 C ATOM 1429 CZ TYR A 90 15.924 -19.730 15.538 1.00 0.00 C ATOM 1430 OH TYR A 90 16.620 -20.333 14.534 1.00 0.00 O ATOM 0 H TYR A 90 11.956 -16.094 17.227 1.00 0.00 H new ATOM 0 HA TYR A 90 11.785 -18.736 18.531 1.00 0.00 H new ATOM 0 HB2 TYR A 90 14.073 -16.734 18.814 1.00 0.00 H new ATOM 0 HB3 TYR A 90 13.927 -18.260 19.662 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.745 -16.649 16.441 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.429 -20.395 18.544 1.00 0.00 H new ATOM 0 HE1 TYR A 90 15.970 -17.777 14.601 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.709 -21.523 16.738 1.00 0.00 H new ATOM 0 HH TYR A 90 16.731 -21.285 14.739 1.00 0.00 H new ATOM 1440 N SER A 91 10.762 -15.893 19.388 1.00 0.00 N ATOM 1441 CA SER A 91 10.046 -15.079 20.362 1.00 0.00 C ATOM 1442 C SER A 91 9.012 -15.932 21.101 1.00 0.00 C ATOM 1443 O SER A 91 9.003 -15.914 22.349 1.00 0.00 O ATOM 1444 CB SER A 91 9.382 -13.895 19.645 1.00 0.00 C ATOM 1445 OG SER A 91 10.306 -13.259 18.766 1.00 0.00 O ATOM 1446 OXT SER A 91 8.202 -16.602 20.425 1.00 0.00 O ATOM 0 H SER A 91 10.655 -15.552 18.433 1.00 0.00 H new ATOM 0 HA SER A 91 10.745 -14.688 21.102 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.516 -14.243 19.081 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.017 -13.177 20.379 1.00 0.00 H new ATOM 0 HG SER A 91 9.866 -12.508 18.316 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.600 -28.439 15.252 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.264 -29.777 14.743 1.00 0.00 O HETATM 1455 O2 PO4 A 92 12.559 -27.463 14.881 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.706 -28.480 16.718 1.00 0.00 O HETATM 1457 O4 PO4 A 92 14.896 -28.008 14.706 1.00 0.00 O