USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 707 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 7 LYS NZ :NH3+ 142:sc= 0.572 (180deg=-0.00262) USER MOD Set 1.2: A 8 TYR OH : rot 15:sc= 0.527 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 1.36 (180deg=-0.182) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 12 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-5.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= 0.995 (180deg=0.396) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00382) USER MOD Single : A 32 GLN : amide:sc= 0.991 K(o=0.99,f=-0.16) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 44 THR OG1 : rot -113:sc= 0.673 USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0118 (180deg=-0.418) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.168 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -159:sc= 0.401 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -110:sc= 0.326 USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= 0.895 (180deg=-0.42) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 72 TYR OH : rot 116:sc= 1.29 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 1.25 (180deg=0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.015 2.997 -10.119 1.00 0.00 N ATOM 2 CA MET A 1 -13.676 2.398 -10.278 1.00 0.00 C ATOM 3 C MET A 1 -13.300 1.560 -9.062 1.00 0.00 C ATOM 4 O MET A 1 -13.637 1.897 -7.926 1.00 0.00 O ATOM 5 CB MET A 1 -12.577 3.438 -10.576 1.00 0.00 C ATOM 6 CG MET A 1 -12.402 4.537 -9.515 1.00 0.00 C ATOM 7 SD MET A 1 -13.713 5.797 -9.488 1.00 0.00 S ATOM 8 CE MET A 1 -13.208 6.719 -8.012 1.00 0.00 C ATOM 0 H1 MET A 1 -15.530 2.940 -11.021 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.542 2.480 -9.386 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.918 3.994 -9.838 1.00 0.00 H new ATOM 0 HA MET A 1 -13.740 1.748 -11.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.628 2.915 -10.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.799 3.912 -11.532 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.350 4.067 -8.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.446 5.033 -9.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.905 7.539 -7.839 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.210 6.053 -7.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.205 7.120 -8.159 1.00 0.00 H new ATOM 18 N ALA A 2 -12.580 0.466 -9.297 1.00 0.00 N ATOM 19 CA ALA A 2 -11.764 -0.257 -8.338 1.00 0.00 C ATOM 20 C ALA A 2 -10.391 0.413 -8.247 1.00 0.00 C ATOM 21 O ALA A 2 -10.040 1.221 -9.110 1.00 0.00 O ATOM 22 CB ALA A 2 -11.578 -1.678 -8.875 1.00 0.00 C ATOM 0 H ALA A 2 -12.552 0.038 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.235 -0.264 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.968 -2.253 -8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.552 -2.156 -8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.082 -1.638 -9.845 1.00 0.00 H new ATOM 28 N LEU A 3 -9.580 0.002 -7.271 1.00 0.00 N ATOM 29 CA LEU A 3 -8.188 0.384 -7.125 1.00 0.00 C ATOM 30 C LEU A 3 -7.425 -0.935 -6.969 1.00 0.00 C ATOM 31 O LEU A 3 -7.330 -1.458 -5.858 1.00 0.00 O ATOM 32 CB LEU A 3 -8.031 1.357 -5.933 1.00 0.00 C ATOM 33 CG LEU A 3 -8.948 2.604 -5.969 1.00 0.00 C ATOM 34 CD1 LEU A 3 -8.993 3.331 -4.620 1.00 0.00 C ATOM 35 CD2 LEU A 3 -8.528 3.609 -7.043 1.00 0.00 C ATOM 0 H LEU A 3 -9.894 -0.631 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.790 0.932 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.226 0.810 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.994 1.690 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.939 2.218 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.649 4.198 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.373 2.654 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.989 3.658 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.204 4.464 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.510 3.947 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.570 3.133 -8.023 1.00 0.00 H new ATOM 47 N VAL A 4 -6.995 -1.516 -8.095 1.00 0.00 N ATOM 48 CA VAL A 4 -6.375 -2.841 -8.191 1.00 0.00 C ATOM 49 C VAL A 4 -5.077 -2.680 -9.001 1.00 0.00 C ATOM 50 O VAL A 4 -4.995 -3.115 -10.150 1.00 0.00 O ATOM 51 CB VAL A 4 -7.371 -3.867 -8.781 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.700 -5.215 -9.111 1.00 0.00 C ATOM 53 CG2 VAL A 4 -8.524 -4.117 -7.796 1.00 0.00 C ATOM 0 H VAL A 4 -7.073 -1.056 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.116 -3.242 -7.211 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.749 -3.438 -9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.442 -5.900 -9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.907 -5.057 -9.842 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.276 -5.642 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.218 -4.841 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.125 -4.507 -6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.049 -3.181 -7.605 1.00 0.00 H new ATOM 63 N LEU A 5 -4.077 -2.005 -8.437 1.00 0.00 N ATOM 64 CA LEU A 5 -2.740 -1.748 -8.966 1.00 0.00 C ATOM 65 C LEU A 5 -2.092 -0.753 -8.019 1.00 0.00 C ATOM 66 O LEU A 5 -2.727 0.229 -7.641 1.00 0.00 O ATOM 67 CB LEU A 5 -2.748 -1.173 -10.391 1.00 0.00 C ATOM 68 CG LEU A 5 -3.708 0.018 -10.630 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.960 1.343 -10.775 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.525 -0.214 -11.903 1.00 0.00 C ATOM 0 H LEU A 5 -4.193 -1.586 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.195 -2.690 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.736 -0.855 -10.640 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.011 -1.972 -11.084 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.358 0.079 -9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.675 2.148 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.394 1.543 -9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.277 1.284 -11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.197 0.629 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.852 -0.308 -12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.109 -1.129 -11.799 1.00 0.00 H new ATOM 82 N VAL A 6 -0.829 -0.975 -7.665 1.00 0.00 N ATOM 83 CA VAL A 6 -0.084 -0.008 -6.868 1.00 0.00 C ATOM 84 C VAL A 6 1.385 -0.007 -7.300 1.00 0.00 C ATOM 85 O VAL A 6 2.302 -0.076 -6.487 1.00 0.00 O ATOM 86 CB VAL A 6 -0.375 -0.229 -5.367 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.078 -1.659 -4.907 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.319 0.797 -4.466 1.00 0.00 C ATOM 0 H VAL A 6 -0.303 -1.812 -7.916 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.414 1.015 -7.049 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.449 -0.074 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.302 -1.753 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.695 -2.358 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.975 -1.885 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.076 0.589 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.398 0.734 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.023 1.799 -4.725 1.00 0.00 H new ATOM 98 N LYS A 7 1.642 0.055 -8.611 1.00 0.00 N ATOM 99 CA LYS A 7 3.012 0.067 -9.118 1.00 0.00 C ATOM 100 C LYS A 7 3.277 1.295 -9.993 1.00 0.00 C ATOM 101 O LYS A 7 4.130 1.228 -10.873 1.00 0.00 O ATOM 102 CB LYS A 7 3.283 -1.242 -9.887 1.00 0.00 C ATOM 103 CG LYS A 7 2.314 -1.527 -11.047 1.00 0.00 C ATOM 104 CD LYS A 7 1.314 -2.625 -10.681 1.00 0.00 C ATOM 105 CE LYS A 7 0.269 -2.814 -11.787 1.00 0.00 C ATOM 106 NZ LYS A 7 0.842 -3.333 -13.047 1.00 0.00 N ATOM 0 H LYS A 7 0.923 0.097 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 7 3.699 0.131 -8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.299 -1.210 -10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.240 -2.074 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.777 -0.615 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.879 -1.827 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.844 -3.563 -10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.816 -2.370 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.502 -3.500 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.219 -1.860 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.178 -4.007 -13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.009 -2.544 -13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.742 -3.814 -12.847 1.00 0.00 H new ATOM 120 N TYR A 8 2.726 2.461 -9.662 1.00 0.00 N ATOM 121 CA TYR A 8 3.015 3.715 -10.356 1.00 0.00 C ATOM 122 C TYR A 8 3.023 4.868 -9.356 1.00 0.00 C ATOM 123 O TYR A 8 2.661 5.992 -9.703 1.00 0.00 O ATOM 124 CB TYR A 8 1.910 3.952 -11.413 1.00 0.00 C ATOM 125 CG TYR A 8 1.630 2.774 -12.328 1.00 0.00 C ATOM 126 CD1 TYR A 8 2.608 2.369 -13.248 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.443 2.030 -12.196 1.00 0.00 C ATOM 128 CE1 TYR A 8 2.447 1.189 -13.991 1.00 0.00 C ATOM 129 CE2 TYR A 8 0.248 0.871 -12.971 1.00 0.00 C ATOM 130 CZ TYR A 8 1.261 0.434 -13.859 1.00 0.00 C ATOM 131 OH TYR A 8 1.127 -0.744 -14.531 1.00 0.00 O ATOM 0 H TYR A 8 2.059 2.563 -8.897 1.00 0.00 H new ATOM 0 HA TYR A 8 3.991 3.660 -10.837 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.987 4.219 -10.898 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.192 4.808 -12.025 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.494 2.971 -13.386 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.319 2.348 -11.500 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.227 0.860 -14.661 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.674 0.315 -12.888 1.00 0.00 H new ATOM 0 HH TYR A 8 2.004 -1.036 -14.857 1.00 0.00 H new ATOM 141 N GLY A 9 3.529 4.614 -8.146 1.00 0.00 N ATOM 142 CA GLY A 9 3.337 5.508 -7.021 1.00 0.00 C ATOM 143 C GLY A 9 1.847 5.709 -6.805 1.00 0.00 C ATOM 144 O GLY A 9 1.126 4.832 -6.312 1.00 0.00 O ATOM 0 H GLY A 9 4.080 3.784 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.795 5.091 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.823 6.465 -7.212 1.00 0.00 H new ATOM 148 N THR A 10 1.382 6.849 -7.256 1.00 0.00 N ATOM 149 CA THR A 10 0.208 7.506 -6.711 1.00 0.00 C ATOM 150 C THR A 10 -1.072 7.125 -7.457 1.00 0.00 C ATOM 151 O THR A 10 -1.603 7.932 -8.216 1.00 0.00 O ATOM 152 CB THR A 10 0.467 9.021 -6.642 1.00 0.00 C ATOM 153 OG1 THR A 10 1.199 9.469 -7.774 1.00 0.00 O ATOM 154 CG2 THR A 10 1.311 9.345 -5.405 1.00 0.00 C ATOM 0 H THR A 10 1.814 7.359 -8.026 1.00 0.00 H new ATOM 0 HA THR A 10 0.034 7.154 -5.694 1.00 0.00 H new ATOM 0 HB THR A 10 -0.503 9.516 -6.605 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.348 10.435 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.492 10.419 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.778 9.029 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.263 8.818 -5.466 1.00 0.00 H new ATOM 162 N ASP A 11 -1.623 5.921 -7.236 1.00 0.00 N ATOM 163 CA ASP A 11 -2.866 5.534 -7.920 1.00 0.00 C ATOM 164 C ASP A 11 -3.752 4.551 -7.122 1.00 0.00 C ATOM 165 O ASP A 11 -4.381 3.668 -7.704 1.00 0.00 O ATOM 166 CB ASP A 11 -2.473 4.965 -9.306 1.00 0.00 C ATOM 167 CG ASP A 11 -3.590 5.032 -10.352 1.00 0.00 C ATOM 168 OD1 ASP A 11 -4.666 5.616 -10.099 1.00 0.00 O ATOM 169 OD2 ASP A 11 -3.355 4.593 -11.499 1.00 0.00 O ATOM 0 H ASP A 11 -1.240 5.216 -6.607 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.494 6.419 -8.024 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.608 5.513 -9.679 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.165 3.926 -9.186 1.00 0.00 H new ATOM 174 N HIS A 12 -3.851 4.708 -5.791 1.00 0.00 N ATOM 175 CA HIS A 12 -4.641 3.844 -4.887 1.00 0.00 C ATOM 176 C HIS A 12 -4.755 4.509 -3.496 1.00 0.00 C ATOM 177 O HIS A 12 -4.185 5.585 -3.318 1.00 0.00 O ATOM 178 CB HIS A 12 -3.991 2.438 -4.832 1.00 0.00 C ATOM 179 CG HIS A 12 -2.957 2.255 -3.751 1.00 0.00 C ATOM 180 ND1 HIS A 12 -2.127 3.228 -3.239 1.00 0.00 N ATOM 181 CD2 HIS A 12 -2.811 1.137 -2.973 1.00 0.00 C ATOM 182 CE1 HIS A 12 -1.525 2.719 -2.160 1.00 0.00 C ATOM 183 NE2 HIS A 12 -1.914 1.457 -1.955 1.00 0.00 N ATOM 0 H HIS A 12 -3.371 5.460 -5.297 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.657 3.720 -5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.777 1.696 -4.691 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.527 2.231 -5.796 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -1.996 4.167 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.300 0.185 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.821 3.254 -1.539 1.00 0.00 H new ATOM 191 N PRO A 13 -5.492 3.963 -2.510 1.00 0.00 N ATOM 192 CA PRO A 13 -5.629 4.598 -1.200 1.00 0.00 C ATOM 193 C PRO A 13 -4.436 4.356 -0.289 1.00 0.00 C ATOM 194 O PRO A 13 -3.711 3.423 -0.528 1.00 0.00 O ATOM 195 CB PRO A 13 -6.875 3.969 -0.608 1.00 0.00 C ATOM 196 CG PRO A 13 -7.045 2.607 -1.281 1.00 0.00 C ATOM 197 CD PRO A 13 -6.143 2.660 -2.512 1.00 0.00 C ATOM 0 HA PRO A 13 -5.690 5.682 -1.301 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.776 3.857 0.472 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.747 4.599 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.753 1.797 -0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.084 2.431 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.403 1.860 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.726 2.522 -3.423 1.00 0.00 H new ATOM 205 N VAL A 14 -4.273 5.167 0.763 1.00 0.00 N ATOM 206 CA VAL A 14 -3.406 5.047 1.937 1.00 0.00 C ATOM 207 C VAL A 14 -3.376 6.439 2.526 1.00 0.00 C ATOM 208 O VAL A 14 -3.789 6.643 3.656 1.00 0.00 O ATOM 209 CB VAL A 14 -1.997 4.482 1.594 1.00 0.00 C ATOM 210 CG1 VAL A 14 -0.847 4.982 2.479 1.00 0.00 C ATOM 211 CG2 VAL A 14 -1.954 2.948 1.623 1.00 0.00 C ATOM 0 H VAL A 14 -4.815 6.030 0.815 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.785 4.320 2.656 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.839 4.866 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.088 4.526 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.770 6.066 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.041 4.709 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.948 2.607 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.223 2.595 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.660 2.550 0.894 1.00 0.00 H new ATOM 221 N GLU A 15 -3.090 7.436 1.696 1.00 0.00 N ATOM 222 CA GLU A 15 -2.846 8.801 2.152 1.00 0.00 C ATOM 223 C GLU A 15 -3.282 9.789 1.079 1.00 0.00 C ATOM 224 O GLU A 15 -2.645 10.808 0.854 1.00 0.00 O ATOM 225 CB GLU A 15 -1.367 8.944 2.612 1.00 0.00 C ATOM 226 CG GLU A 15 -1.190 8.375 4.035 1.00 0.00 C ATOM 227 CD GLU A 15 -0.027 8.921 4.878 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.467 10.050 4.639 1.00 0.00 O ATOM 229 OE2 GLU A 15 0.368 8.232 5.851 1.00 0.00 O ATOM 0 H GLU A 15 -3.020 7.321 0.685 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.450 9.037 3.028 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.711 8.418 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.073 9.994 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.115 8.550 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.068 7.295 3.953 1.00 0.00 H new ATOM 236 N LYS A 16 -4.443 9.506 0.473 1.00 0.00 N ATOM 237 CA LYS A 16 -5.289 10.415 -0.296 1.00 0.00 C ATOM 238 C LYS A 16 -6.524 9.670 -0.743 1.00 0.00 C ATOM 239 O LYS A 16 -7.563 9.894 -0.139 1.00 0.00 O ATOM 240 CB LYS A 16 -4.571 11.033 -1.502 1.00 0.00 C ATOM 241 CG LYS A 16 -5.362 12.223 -2.050 1.00 0.00 C ATOM 242 CD LYS A 16 -4.951 13.547 -1.388 1.00 0.00 C ATOM 243 CE LYS A 16 -5.290 14.705 -2.324 1.00 0.00 C ATOM 244 NZ LYS A 16 -4.262 14.887 -3.380 1.00 0.00 N ATOM 0 H LYS A 16 -4.840 8.567 0.513 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.557 11.248 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.572 11.357 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.447 10.282 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.209 12.294 -3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.427 12.054 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.471 13.668 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.883 13.542 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.259 14.523 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.382 15.624 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.531 15.683 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.342 15.086 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.192 14.020 -3.950 1.00 0.00 H new ATOM 258 N LEU A 17 -6.425 8.749 -1.709 1.00 0.00 N ATOM 259 CA LEU A 17 -7.566 8.073 -2.340 1.00 0.00 C ATOM 260 C LEU A 17 -8.455 7.425 -1.275 1.00 0.00 C ATOM 261 O LEU A 17 -9.665 7.362 -1.404 1.00 0.00 O ATOM 262 CB LEU A 17 -7.082 7.034 -3.380 1.00 0.00 C ATOM 263 CG LEU A 17 -7.828 7.023 -4.723 1.00 0.00 C ATOM 264 CD1 LEU A 17 -9.351 7.018 -4.591 1.00 0.00 C ATOM 265 CD2 LEU A 17 -7.375 8.168 -5.614 1.00 0.00 C ATOM 0 H LEU A 17 -5.526 8.445 -2.083 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.162 8.816 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.025 7.212 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.161 6.042 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.562 6.075 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.802 7.010 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.666 6.130 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.673 7.910 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.921 8.133 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.572 9.117 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.307 8.076 -5.810 1.00 0.00 H new ATOM 277 N LYS A 18 -7.847 7.028 -0.162 1.00 0.00 N ATOM 278 CA LYS A 18 -8.463 6.529 1.067 1.00 0.00 C ATOM 279 C LYS A 18 -9.566 7.430 1.631 1.00 0.00 C ATOM 280 O LYS A 18 -10.584 6.952 2.089 1.00 0.00 O ATOM 281 CB LYS A 18 -7.361 6.341 2.110 1.00 0.00 C ATOM 282 CG LYS A 18 -6.633 7.662 2.415 1.00 0.00 C ATOM 283 CD LYS A 18 -6.919 8.094 3.834 1.00 0.00 C ATOM 284 CE LYS A 18 -6.473 9.534 4.058 1.00 0.00 C ATOM 285 NZ LYS A 18 -6.642 9.964 5.465 1.00 0.00 N ATOM 0 H LYS A 18 -6.830 7.048 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.955 5.588 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.793 5.944 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.642 5.604 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.560 7.536 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.958 8.435 1.718 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.985 8.002 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.402 7.435 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.426 9.636 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.046 10.195 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.640 11.003 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.545 9.602 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.860 9.589 6.039 1.00 0.00 H new ATOM 299 N ILE A 19 -9.371 8.742 1.658 1.00 0.00 N ATOM 300 CA ILE A 19 -10.349 9.681 2.185 1.00 0.00 C ATOM 301 C ILE A 19 -11.557 9.662 1.254 1.00 0.00 C ATOM 302 O ILE A 19 -12.711 9.769 1.665 1.00 0.00 O ATOM 303 CB ILE A 19 -9.641 11.054 2.332 1.00 0.00 C ATOM 304 CG1 ILE A 19 -9.446 11.323 3.835 1.00 0.00 C ATOM 305 CG2 ILE A 19 -10.375 12.253 1.699 1.00 0.00 C ATOM 306 CD1 ILE A 19 -8.378 12.389 4.072 1.00 0.00 C ATOM 0 H ILE A 19 -8.521 9.187 1.311 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.728 9.425 3.174 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.703 10.975 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.390 11.646 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.160 10.399 4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.794 13.161 1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.494 12.083 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.356 12.364 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.263 12.557 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.429 12.053 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.679 13.319 3.589 1.00 0.00 H new ATOM 318 N ARG A 20 -11.271 9.500 -0.032 1.00 0.00 N ATOM 319 CA ARG A 20 -12.279 9.396 -1.058 1.00 0.00 C ATOM 320 C ARG A 20 -12.987 8.028 -0.956 1.00 0.00 C ATOM 321 O ARG A 20 -14.221 7.986 -0.998 1.00 0.00 O ATOM 322 CB ARG A 20 -11.627 9.774 -2.399 1.00 0.00 C ATOM 323 CG ARG A 20 -11.056 11.213 -2.357 1.00 0.00 C ATOM 324 CD ARG A 20 -9.576 11.376 -1.940 1.00 0.00 C ATOM 325 NE ARG A 20 -9.214 12.797 -1.834 1.00 0.00 N ATOM 326 CZ ARG A 20 -8.758 13.601 -2.795 1.00 0.00 C ATOM 327 NH1 ARG A 20 -8.536 13.160 -4.021 1.00 0.00 N ATOM 328 NH2 ARG A 20 -8.530 14.870 -2.490 1.00 0.00 N ATOM 0 H ARG A 20 -10.317 9.437 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.102 10.101 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.828 9.069 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.363 9.695 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.178 11.654 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.667 11.798 -1.670 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.407 10.881 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.932 10.886 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.325 13.220 -0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.714 12.182 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.187 13.797 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.704 15.206 -1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.181 15.511 -3.203 1.00 0.00 H new ATOM 342 N SER A 21 -12.285 6.925 -0.681 1.00 0.00 N ATOM 343 CA SER A 21 -12.848 5.594 -0.476 1.00 0.00 C ATOM 344 C SER A 21 -11.916 4.755 0.415 1.00 0.00 C ATOM 345 O SER A 21 -10.941 4.175 -0.065 1.00 0.00 O ATOM 346 CB SER A 21 -13.097 4.964 -1.855 1.00 0.00 C ATOM 347 OG SER A 21 -13.964 3.848 -1.825 1.00 0.00 O ATOM 0 H SER A 21 -11.269 6.939 -0.592 1.00 0.00 H new ATOM 0 HA SER A 21 -13.801 5.644 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.516 5.720 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.142 4.659 -2.282 1.00 0.00 H new ATOM 0 HG SER A 21 -14.079 3.499 -2.733 1.00 0.00 H new ATOM 353 N ALA A 22 -12.190 4.715 1.724 1.00 0.00 N ATOM 354 CA ALA A 22 -11.672 3.762 2.703 1.00 0.00 C ATOM 355 C ALA A 22 -12.529 3.844 3.963 1.00 0.00 C ATOM 356 O ALA A 22 -13.421 4.686 4.076 1.00 0.00 O ATOM 357 CB ALA A 22 -10.171 3.976 3.046 1.00 0.00 C ATOM 0 H ALA A 22 -12.821 5.393 2.152 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.730 2.768 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.856 3.233 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.572 3.870 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.031 4.975 3.459 1.00 0.00 H new ATOM 363 N LYS A 23 -12.218 2.975 4.922 1.00 0.00 N ATOM 364 CA LYS A 23 -12.585 3.089 6.322 1.00 0.00 C ATOM 365 C LYS A 23 -11.366 2.721 7.143 1.00 0.00 C ATOM 366 O LYS A 23 -10.307 2.415 6.590 1.00 0.00 O ATOM 367 CB LYS A 23 -13.778 2.173 6.656 1.00 0.00 C ATOM 368 CG LYS A 23 -14.757 2.865 7.613 1.00 0.00 C ATOM 369 CD LYS A 23 -15.665 3.830 6.847 1.00 0.00 C ATOM 370 CE LYS A 23 -16.839 3.054 6.246 1.00 0.00 C ATOM 371 NZ LYS A 23 -17.916 3.962 5.824 1.00 0.00 N ATOM 0 H LYS A 23 -11.676 2.132 4.729 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.900 4.107 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.296 1.897 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.416 1.249 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.362 2.118 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.203 3.408 8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.033 4.608 7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.102 4.328 6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.494 2.472 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.224 2.345 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.699 3.408 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.259 4.499 6.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.553 4.622 5.107 1.00 0.00 H new ATOM 385 N ALA A 24 -11.524 2.722 8.460 1.00 0.00 N ATOM 386 CA ALA A 24 -10.527 2.124 9.321 1.00 0.00 C ATOM 387 C ALA A 24 -10.488 0.613 9.102 1.00 0.00 C ATOM 388 O ALA A 24 -9.416 0.013 9.107 1.00 0.00 O ATOM 389 CB ALA A 24 -10.810 2.456 10.779 1.00 0.00 C ATOM 0 H ALA A 24 -12.325 3.126 8.946 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.550 2.536 9.069 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.049 1.997 11.411 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.792 3.537 10.916 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.792 2.072 11.056 1.00 0.00 H new ATOM 395 N GLU A 25 -11.638 -0.017 8.844 1.00 0.00 N ATOM 396 CA GLU A 25 -11.719 -1.458 8.630 1.00 0.00 C ATOM 397 C GLU A 25 -11.420 -1.874 7.197 1.00 0.00 C ATOM 398 O GLU A 25 -12.008 -2.816 6.667 1.00 0.00 O ATOM 399 CB GLU A 25 -13.086 -1.969 9.095 1.00 0.00 C ATOM 400 CG GLU A 25 -12.959 -3.289 9.852 1.00 0.00 C ATOM 401 CD GLU A 25 -14.304 -4.007 9.957 1.00 0.00 C ATOM 402 OE1 GLU A 25 -15.358 -3.312 9.995 1.00 0.00 O ATOM 403 OE2 GLU A 25 -14.302 -5.257 9.940 1.00 0.00 O ATOM 0 H GLU A 25 -12.537 0.461 8.778 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.937 -1.923 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.556 -1.224 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.738 -2.104 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.241 -3.933 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.567 -3.100 10.852 1.00 0.00 H new ATOM 410 N ASP A 26 -10.455 -1.209 6.581 1.00 0.00 N ATOM 411 CA ASP A 26 -10.143 -1.429 5.184 1.00 0.00 C ATOM 412 C ASP A 26 -8.753 -2.043 5.087 1.00 0.00 C ATOM 413 O ASP A 26 -8.028 -2.086 6.087 1.00 0.00 O ATOM 414 CB ASP A 26 -10.280 -0.104 4.437 1.00 0.00 C ATOM 415 CG ASP A 26 -10.777 -0.262 3.008 1.00 0.00 C ATOM 416 OD1 ASP A 26 -10.230 -1.086 2.240 1.00 0.00 O ATOM 417 OD2 ASP A 26 -11.669 0.515 2.619 1.00 0.00 O ATOM 0 H ASP A 26 -9.871 -0.507 7.035 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.834 -2.130 4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.967 0.542 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.313 0.398 4.423 1.00 0.00 H new ATOM 422 N LYS A 27 -8.355 -2.543 3.922 1.00 0.00 N ATOM 423 CA LYS A 27 -7.135 -3.318 3.735 1.00 0.00 C ATOM 424 C LYS A 27 -6.456 -2.797 2.479 1.00 0.00 C ATOM 425 O LYS A 27 -7.145 -2.536 1.496 1.00 0.00 O ATOM 426 CB LYS A 27 -7.468 -4.817 3.616 1.00 0.00 C ATOM 427 CG LYS A 27 -8.230 -5.412 4.822 1.00 0.00 C ATOM 428 CD LYS A 27 -9.721 -5.652 4.517 1.00 0.00 C ATOM 429 CE LYS A 27 -10.578 -6.002 5.745 1.00 0.00 C ATOM 430 NZ LYS A 27 -10.042 -7.134 6.529 1.00 0.00 N ATOM 0 H LYS A 27 -8.886 -2.417 3.060 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.467 -3.209 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.064 -4.972 2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.539 -5.371 3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.765 -6.354 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.141 -4.737 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.131 -4.758 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.804 -6.460 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.652 -5.126 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.589 -6.243 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.682 -7.341 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.964 -7.973 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.102 -6.886 6.899 1.00 0.00 H new ATOM 444 N ILE A 28 -5.146 -2.556 2.529 1.00 0.00 N ATOM 445 CA ILE A 28 -4.371 -1.974 1.441 1.00 0.00 C ATOM 446 C ILE A 28 -2.910 -2.450 1.575 1.00 0.00 C ATOM 447 O ILE A 28 -2.494 -2.843 2.663 1.00 0.00 O ATOM 448 CB ILE A 28 -4.457 -0.424 1.464 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.775 0.222 1.976 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.221 0.062 0.019 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.618 1.716 2.244 1.00 0.00 C ATOM 0 H ILE A 28 -4.582 -2.767 3.352 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.777 -2.302 0.484 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.709 -0.111 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.563 0.068 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.091 -0.278 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.273 1.150 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.237 -0.264 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.986 -0.356 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.564 2.123 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.849 1.871 3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.328 2.222 1.323 1.00 0.00 H new ATOM 463 N VAL A 29 -2.117 -2.349 0.504 1.00 0.00 N ATOM 464 CA VAL A 29 -0.685 -2.671 0.396 1.00 0.00 C ATOM 465 C VAL A 29 -0.036 -1.748 -0.659 1.00 0.00 C ATOM 466 O VAL A 29 -0.757 -1.208 -1.486 1.00 0.00 O ATOM 467 CB VAL A 29 -0.501 -4.179 0.082 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.891 -4.606 -0.418 1.00 0.00 C ATOM 469 CG2 VAL A 29 -0.821 -4.993 1.344 1.00 0.00 C ATOM 0 H VAL A 29 -2.488 -2.012 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.178 -2.489 1.344 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.184 -4.374 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.897 -5.680 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.124 -4.077 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.639 -4.364 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.695 -6.055 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.145 -4.699 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.850 -4.803 1.648 1.00 0.00 H new ATOM 479 N LEU A 30 1.293 -1.546 -0.647 1.00 0.00 N ATOM 480 CA LEU A 30 2.049 -0.792 -1.669 1.00 0.00 C ATOM 481 C LEU A 30 3.131 -1.654 -2.298 1.00 0.00 C ATOM 482 O LEU A 30 3.795 -2.385 -1.572 1.00 0.00 O ATOM 483 CB LEU A 30 2.730 0.495 -1.129 1.00 0.00 C ATOM 484 CG LEU A 30 2.255 1.117 0.192 1.00 0.00 C ATOM 485 CD1 LEU A 30 3.239 2.193 0.670 1.00 0.00 C ATOM 486 CD2 LEU A 30 0.908 1.794 -0.011 1.00 0.00 C ATOM 0 H LEU A 30 1.890 -1.912 0.094 1.00 0.00 H new ATOM 0 HA LEU A 30 1.298 -0.500 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.793 0.279 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.636 1.260 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 30 2.185 0.317 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.883 2.621 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.221 1.745 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.313 2.978 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.576 2.233 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.004 2.577 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.177 1.057 -0.345 1.00 0.00 H new ATOM 498 N ILE A 31 3.372 -1.525 -3.608 1.00 0.00 N ATOM 499 CA ILE A 31 4.436 -2.241 -4.316 1.00 0.00 C ATOM 500 C ILE A 31 5.233 -1.288 -5.212 1.00 0.00 C ATOM 501 O ILE A 31 4.986 -0.090 -5.191 1.00 0.00 O ATOM 502 CB ILE A 31 3.905 -3.502 -5.043 1.00 0.00 C ATOM 503 CG1 ILE A 31 3.488 -3.235 -6.507 1.00 0.00 C ATOM 504 CG2 ILE A 31 2.814 -4.257 -4.262 1.00 0.00 C ATOM 505 CD1 ILE A 31 2.989 -4.447 -7.284 1.00 0.00 C ATOM 0 H ILE A 31 2.825 -0.912 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 31 5.143 -2.624 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 31 4.764 -4.172 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.705 -2.477 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.342 -2.813 -7.037 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.493 -5.127 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.213 -4.582 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.962 -3.597 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.724 -4.146 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.774 -5.202 -7.323 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.111 -4.861 -6.788 1.00 0.00 H new ATOM 517 N GLN A 32 6.185 -1.807 -5.994 1.00 0.00 N ATOM 518 CA GLN A 32 7.066 -1.133 -6.947 1.00 0.00 C ATOM 519 C GLN A 32 7.337 0.338 -6.587 1.00 0.00 C ATOM 520 O GLN A 32 8.030 0.626 -5.617 1.00 0.00 O ATOM 521 CB GLN A 32 6.602 -1.286 -8.403 1.00 0.00 C ATOM 522 CG GLN A 32 6.501 -2.716 -8.929 1.00 0.00 C ATOM 523 CD GLN A 32 7.758 -3.178 -9.660 1.00 0.00 C ATOM 524 OE1 GLN A 32 7.963 -2.857 -10.831 1.00 0.00 O ATOM 525 NE2 GLN A 32 8.618 -3.947 -9.025 1.00 0.00 N ATOM 0 H GLN A 32 6.375 -2.809 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 32 8.021 -1.652 -6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.625 -0.814 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.290 -0.733 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.305 -3.390 -8.095 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.648 -2.788 -9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.446 -4.212 -8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.456 -4.278 -9.503 1.00 0.00 H new ATOM 534 N ASN A 33 6.753 1.274 -7.349 1.00 0.00 N ATOM 535 CA ASN A 33 6.811 2.717 -7.073 1.00 0.00 C ATOM 536 C ASN A 33 5.706 3.164 -6.135 1.00 0.00 C ATOM 537 O ASN A 33 5.866 4.186 -5.484 1.00 0.00 O ATOM 538 CB ASN A 33 6.729 3.580 -8.348 1.00 0.00 C ATOM 539 CG ASN A 33 8.033 3.508 -9.132 1.00 0.00 C ATOM 540 OD1 ASN A 33 8.900 4.362 -8.981 1.00 0.00 O ATOM 541 ND2 ASN A 33 8.265 2.457 -9.896 1.00 0.00 N ATOM 0 H ASN A 33 6.219 1.046 -8.188 1.00 0.00 H new ATOM 0 HA ASN A 33 7.783 2.867 -6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.904 3.237 -8.973 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.517 4.615 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.167 2.354 -10.362 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.543 1.748 -10.020 1.00 0.00 H new ATOM 548 N GLY A 34 4.590 2.431 -6.056 1.00 0.00 N ATOM 549 CA GLY A 34 3.533 2.613 -5.064 1.00 0.00 C ATOM 550 C GLY A 34 4.051 2.778 -3.643 1.00 0.00 C ATOM 551 O GLY A 34 3.424 3.453 -2.835 1.00 0.00 O ATOM 0 H GLY A 34 4.394 1.669 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.943 3.490 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.862 1.755 -5.099 1.00 0.00 H new ATOM 555 N VAL A 35 5.211 2.212 -3.321 1.00 0.00 N ATOM 556 CA VAL A 35 5.870 2.461 -2.043 1.00 0.00 C ATOM 557 C VAL A 35 6.013 3.963 -1.716 1.00 0.00 C ATOM 558 O VAL A 35 6.053 4.323 -0.543 1.00 0.00 O ATOM 559 CB VAL A 35 7.210 1.722 -1.993 1.00 0.00 C ATOM 560 CG1 VAL A 35 7.066 0.208 -2.239 1.00 0.00 C ATOM 561 CG2 VAL A 35 8.224 2.324 -2.984 1.00 0.00 C ATOM 0 H VAL A 35 5.717 1.573 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 35 5.228 2.063 -1.257 1.00 0.00 H new ATOM 0 HB VAL A 35 7.587 1.855 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.048 -0.263 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.419 -0.225 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.629 0.039 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.164 1.775 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.829 2.253 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.398 3.371 -2.735 1.00 0.00 H new ATOM 571 N PHE A 36 6.001 4.856 -2.717 1.00 0.00 N ATOM 572 CA PHE A 36 5.962 6.306 -2.540 1.00 0.00 C ATOM 573 C PHE A 36 4.798 6.820 -1.665 1.00 0.00 C ATOM 574 O PHE A 36 4.860 7.953 -1.198 1.00 0.00 O ATOM 575 CB PHE A 36 5.895 6.979 -3.921 1.00 0.00 C ATOM 576 CG PHE A 36 7.132 6.977 -4.814 1.00 0.00 C ATOM 577 CD1 PHE A 36 8.278 6.200 -4.539 1.00 0.00 C ATOM 578 CD2 PHE A 36 7.125 7.801 -5.957 1.00 0.00 C ATOM 579 CE1 PHE A 36 9.397 6.263 -5.387 1.00 0.00 C ATOM 580 CE2 PHE A 36 8.243 7.859 -6.804 1.00 0.00 C ATOM 581 CZ PHE A 36 9.383 7.091 -6.519 1.00 0.00 C ATOM 0 H PHE A 36 6.019 4.576 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 36 6.874 6.569 -2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.088 6.503 -4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.605 8.018 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.295 5.554 -3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.251 8.394 -6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.272 5.671 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.226 8.496 -7.676 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.245 7.137 -7.168 1.00 0.00 H new ATOM 591 N TRP A 37 3.748 6.033 -1.399 1.00 0.00 N ATOM 592 CA TRP A 37 2.706 6.449 -0.452 1.00 0.00 C ATOM 593 C TRP A 37 3.203 6.450 0.998 1.00 0.00 C ATOM 594 O TRP A 37 2.601 7.120 1.838 1.00 0.00 O ATOM 595 CB TRP A 37 1.447 5.580 -0.552 1.00 0.00 C ATOM 596 CG TRP A 37 0.623 5.742 -1.791 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.661 4.929 -2.866 1.00 0.00 C ATOM 598 CD2 TRP A 37 -0.402 6.740 -2.086 1.00 0.00 C ATOM 599 NE1 TRP A 37 -0.180 5.412 -3.840 1.00 0.00 N ATOM 600 CE2 TRP A 37 -0.910 6.497 -3.395 1.00 0.00 C ATOM 601 CE3 TRP A 37 -0.959 7.824 -1.380 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -1.931 7.281 -3.960 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -1.959 8.632 -1.950 1.00 0.00 C ATOM 604 CH2 TRP A 37 -2.476 8.343 -3.224 1.00 0.00 C ATOM 0 H TRP A 37 3.598 5.116 -1.820 1.00 0.00 H new ATOM 0 HA TRP A 37 2.450 7.470 -0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.746 4.535 -0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.814 5.795 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.261 4.035 -2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.256 5.017 -4.777 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.611 8.039 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.293 7.067 -4.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.334 9.484 -1.402 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.284 8.932 -3.632 1.00 0.00 H new ATOM 615 N ALA A 38 4.277 5.726 1.329 1.00 0.00 N ATOM 616 CA ALA A 38 4.771 5.595 2.701 1.00 0.00 C ATOM 617 C ALA A 38 5.592 6.798 3.154 1.00 0.00 C ATOM 618 O ALA A 38 6.537 6.633 3.926 1.00 0.00 O ATOM 619 CB ALA A 38 5.610 4.319 2.783 1.00 0.00 C ATOM 0 H ALA A 38 4.832 5.211 0.646 1.00 0.00 H new ATOM 0 HA ALA A 38 3.913 5.545 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.990 4.198 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.992 3.460 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.446 4.388 2.088 1.00 0.00 H new ATOM 625 N LEU A 39 5.169 7.998 2.748 1.00 0.00 N ATOM 626 CA LEU A 39 5.953 9.230 2.707 1.00 0.00 C ATOM 627 C LEU A 39 5.132 10.345 2.040 1.00 0.00 C ATOM 628 O LEU A 39 5.626 11.143 1.246 1.00 0.00 O ATOM 629 CB LEU A 39 7.357 8.963 2.127 1.00 0.00 C ATOM 630 CG LEU A 39 7.457 8.110 0.839 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.749 8.963 -0.394 1.00 0.00 C ATOM 632 CD2 LEU A 39 8.536 7.033 1.005 1.00 0.00 C ATOM 0 H LEU A 39 4.214 8.141 2.420 1.00 0.00 H new ATOM 0 HA LEU A 39 6.159 9.603 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.825 9.927 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.951 8.474 2.899 1.00 0.00 H new ATOM 0 HG LEU A 39 6.488 7.635 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.810 8.322 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.949 9.691 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.696 9.486 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.599 6.438 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.498 7.508 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.279 6.386 1.844 1.00 0.00 H new ATOM 644 N GLU A 40 3.851 10.400 2.419 1.00 0.00 N ATOM 645 CA GLU A 40 2.853 11.398 2.049 1.00 0.00 C ATOM 646 C GLU A 40 2.475 12.240 3.288 1.00 0.00 C ATOM 647 O GLU A 40 3.101 12.154 4.356 1.00 0.00 O ATOM 648 CB GLU A 40 1.637 10.672 1.443 1.00 0.00 C ATOM 649 CG GLU A 40 1.924 10.058 0.069 1.00 0.00 C ATOM 650 CD GLU A 40 1.816 11.076 -1.071 1.00 0.00 C ATOM 651 OE1 GLU A 40 0.674 11.371 -1.504 1.00 0.00 O ATOM 652 OE2 GLU A 40 2.861 11.595 -1.523 1.00 0.00 O ATOM 0 H GLU A 40 3.459 9.692 3.040 1.00 0.00 H new ATOM 0 HA GLU A 40 3.248 12.087 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.315 9.885 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.809 11.376 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.925 9.627 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.225 9.241 -0.112 1.00 0.00 H new ATOM 659 N GLU A 41 1.484 13.116 3.143 1.00 0.00 N ATOM 660 CA GLU A 41 1.132 14.209 4.049 1.00 0.00 C ATOM 661 C GLU A 41 -0.270 14.049 4.619 1.00 0.00 C ATOM 662 O GLU A 41 -1.101 14.962 4.596 1.00 0.00 O ATOM 663 CB GLU A 41 1.349 15.556 3.350 1.00 0.00 C ATOM 664 CG GLU A 41 0.547 15.696 2.038 1.00 0.00 C ATOM 665 CD GLU A 41 1.153 16.750 1.124 1.00 0.00 C ATOM 666 OE1 GLU A 41 2.269 16.517 0.610 1.00 0.00 O ATOM 667 OE2 GLU A 41 0.490 17.791 0.913 1.00 0.00 O ATOM 0 H GLU A 41 0.863 13.079 2.335 1.00 0.00 H new ATOM 0 HA GLU A 41 1.796 14.177 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.066 16.360 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.410 15.680 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.522 14.736 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.485 15.962 2.268 1.00 0.00 H new ATOM 674 N LEU A 42 -0.558 12.846 5.085 1.00 0.00 N ATOM 675 CA LEU A 42 -1.894 12.375 5.386 1.00 0.00 C ATOM 676 C LEU A 42 -1.765 11.275 6.432 1.00 0.00 C ATOM 677 O LEU A 42 -0.860 11.301 7.263 1.00 0.00 O ATOM 678 CB LEU A 42 -2.534 11.945 4.046 1.00 0.00 C ATOM 679 CG LEU A 42 -3.566 12.976 3.540 1.00 0.00 C ATOM 680 CD1 LEU A 42 -3.134 13.746 2.288 1.00 0.00 C ATOM 681 CD2 LEU A 42 -4.900 12.302 3.260 1.00 0.00 C ATOM 0 H LEU A 42 0.161 12.146 5.270 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.555 13.127 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.753 11.816 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.020 10.977 4.170 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.653 13.704 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.918 14.447 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.215 14.294 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.961 13.045 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.615 13.044 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.766 11.533 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.276 11.845 4.175 1.00 0.00 H new ATOM 693 N GLU A 43 -2.722 10.361 6.465 1.00 0.00 N ATOM 694 CA GLU A 43 -2.769 9.235 7.369 1.00 0.00 C ATOM 695 C GLU A 43 -3.639 8.181 6.694 1.00 0.00 C ATOM 696 O GLU A 43 -4.430 8.507 5.809 1.00 0.00 O ATOM 697 CB GLU A 43 -3.387 9.668 8.709 1.00 0.00 C ATOM 698 CG GLU A 43 -4.827 10.174 8.553 1.00 0.00 C ATOM 699 CD GLU A 43 -5.455 10.625 9.871 1.00 0.00 C ATOM 700 OE1 GLU A 43 -5.497 9.839 10.841 1.00 0.00 O ATOM 701 OE2 GLU A 43 -5.951 11.774 9.911 1.00 0.00 O ATOM 0 H GLU A 43 -3.521 10.390 5.831 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.773 8.844 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.374 8.826 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.775 10.454 9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.838 11.007 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.438 9.382 8.119 1.00 0.00 H new ATOM 708 N THR A 44 -3.599 6.971 7.205 1.00 0.00 N ATOM 709 CA THR A 44 -4.579 5.908 7.021 1.00 0.00 C ATOM 710 C THR A 44 -5.076 5.471 8.391 1.00 0.00 C ATOM 711 O THR A 44 -4.316 5.514 9.359 1.00 0.00 O ATOM 712 CB THR A 44 -3.938 4.724 6.288 1.00 0.00 C ATOM 713 OG1 THR A 44 -4.873 3.695 6.079 1.00 0.00 O ATOM 714 CG2 THR A 44 -2.710 4.173 7.019 1.00 0.00 C ATOM 0 H THR A 44 -2.828 6.676 7.804 1.00 0.00 H new ATOM 0 HA THR A 44 -5.414 6.269 6.421 1.00 0.00 H new ATOM 0 HB THR A 44 -3.602 5.106 5.324 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.624 2.913 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.296 3.336 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.958 4.957 7.109 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.000 3.833 8.013 1.00 0.00 H new ATOM 722 N PRO A 45 -6.332 5.013 8.454 1.00 0.00 N ATOM 723 CA PRO A 45 -6.810 4.171 9.522 1.00 0.00 C ATOM 724 C PRO A 45 -6.962 2.696 9.083 1.00 0.00 C ATOM 725 O PRO A 45 -7.225 1.821 9.913 1.00 0.00 O ATOM 726 CB PRO A 45 -8.128 4.848 9.858 1.00 0.00 C ATOM 727 CG PRO A 45 -8.692 5.283 8.503 1.00 0.00 C ATOM 728 CD PRO A 45 -7.448 5.511 7.657 1.00 0.00 C ATOM 0 HA PRO A 45 -6.137 4.090 10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.806 4.165 10.369 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.978 5.702 10.518 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.336 4.517 8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.290 6.190 8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.518 4.981 6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.322 6.568 7.424 1.00 0.00 H new ATOM 736 N ALA A 46 -6.840 2.413 7.779 1.00 0.00 N ATOM 737 CA ALA A 46 -6.858 1.090 7.165 1.00 0.00 C ATOM 738 C ALA A 46 -5.495 0.430 7.340 1.00 0.00 C ATOM 739 O ALA A 46 -4.502 1.140 7.513 1.00 0.00 O ATOM 740 CB ALA A 46 -7.117 1.254 5.665 1.00 0.00 C ATOM 0 H ALA A 46 -6.719 3.152 7.087 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.632 0.480 7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.134 0.273 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.077 1.747 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.325 1.858 5.223 1.00 0.00 H new ATOM 746 N LYS A 47 -5.405 -0.901 7.234 1.00 0.00 N ATOM 747 CA LYS A 47 -4.158 -1.594 7.449 1.00 0.00 C ATOM 748 C LYS A 47 -3.388 -1.408 6.152 1.00 0.00 C ATOM 749 O LYS A 47 -3.883 -1.772 5.082 1.00 0.00 O ATOM 750 CB LYS A 47 -4.418 -3.035 7.927 1.00 0.00 C ATOM 751 CG LYS A 47 -5.088 -3.909 6.876 1.00 0.00 C ATOM 752 CD LYS A 47 -5.463 -5.362 7.137 1.00 0.00 C ATOM 753 CE LYS A 47 -4.438 -6.100 7.978 1.00 0.00 C ATOM 754 NZ LYS A 47 -4.809 -7.471 8.405 1.00 0.00 N ATOM 0 H LYS A 47 -6.190 -1.508 7.000 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.542 -1.204 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.471 -3.490 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.045 -3.007 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.006 -3.398 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.432 -3.908 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.429 -5.397 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.581 -5.877 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.508 -6.157 7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.234 -5.507 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.959 -7.976 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.498 -7.418 9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.230 -7.982 7.603 1.00 0.00 H new ATOM 768 N VAL A 48 -2.257 -0.723 6.217 1.00 0.00 N ATOM 769 CA VAL A 48 -1.376 -0.483 5.115 1.00 0.00 C ATOM 770 C VAL A 48 -0.105 -1.245 5.385 1.00 0.00 C ATOM 771 O VAL A 48 0.227 -1.497 6.547 1.00 0.00 O ATOM 772 CB VAL A 48 -1.109 1.019 5.040 1.00 0.00 C ATOM 773 CG1 VAL A 48 -2.404 1.734 4.633 1.00 0.00 C ATOM 774 CG2 VAL A 48 -0.500 1.629 6.307 1.00 0.00 C ATOM 0 H VAL A 48 -1.925 -0.305 7.086 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.801 -0.810 4.166 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.339 1.167 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.225 2.808 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.731 1.369 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.178 1.534 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.347 2.698 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.176 1.473 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.457 1.151 6.517 1.00 0.00 H new ATOM 784 N TYR A 49 0.604 -1.585 4.318 1.00 0.00 N ATOM 785 CA TYR A 49 1.831 -2.347 4.370 1.00 0.00 C ATOM 786 C TYR A 49 2.522 -2.159 3.025 1.00 0.00 C ATOM 787 O TYR A 49 1.908 -2.434 1.998 1.00 0.00 O ATOM 788 CB TYR A 49 1.508 -3.833 4.554 1.00 0.00 C ATOM 789 CG TYR A 49 0.625 -4.249 5.721 1.00 0.00 C ATOM 790 CD1 TYR A 49 1.199 -4.468 6.987 1.00 0.00 C ATOM 791 CD2 TYR A 49 -0.766 -4.423 5.559 1.00 0.00 C ATOM 792 CE1 TYR A 49 0.422 -4.824 8.092 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.544 -4.801 6.654 1.00 0.00 C ATOM 794 CZ TYR A 49 -0.961 -4.998 7.924 1.00 0.00 C ATOM 795 OH TYR A 49 -1.728 -5.320 8.996 1.00 0.00 O ATOM 0 H TYR A 49 0.329 -1.329 3.370 1.00 0.00 H new ATOM 0 HA TYR A 49 2.459 -2.016 5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.033 -4.184 3.638 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.453 -4.368 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.267 -4.358 7.107 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.225 -4.265 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.878 -4.963 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.607 -4.945 6.528 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.330 -4.943 9.808 1.00 0.00 H new ATOM 805 N ALA A 50 3.760 -1.680 2.969 1.00 0.00 N ATOM 806 CA ALA A 50 4.493 -1.756 1.712 1.00 0.00 C ATOM 807 C ALA A 50 5.118 -3.146 1.596 1.00 0.00 C ATOM 808 O ALA A 50 5.386 -3.815 2.595 1.00 0.00 O ATOM 809 CB ALA A 50 5.531 -0.642 1.593 1.00 0.00 C ATOM 0 H ALA A 50 4.261 -1.251 3.747 1.00 0.00 H new ATOM 0 HA ALA A 50 3.805 -1.606 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.056 -0.734 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.033 0.326 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.246 -0.722 2.411 1.00 0.00 H new ATOM 815 N ILE A 51 5.401 -3.562 0.370 1.00 0.00 N ATOM 816 CA ILE A 51 6.198 -4.730 0.064 1.00 0.00 C ATOM 817 C ILE A 51 7.637 -4.321 0.231 1.00 0.00 C ATOM 818 O ILE A 51 8.170 -3.524 -0.545 1.00 0.00 O ATOM 819 CB ILE A 51 5.852 -5.246 -1.336 1.00 0.00 C ATOM 820 CG1 ILE A 51 4.425 -5.803 -1.395 1.00 0.00 C ATOM 821 CG2 ILE A 51 6.823 -6.330 -1.805 1.00 0.00 C ATOM 822 CD1 ILE A 51 4.033 -6.794 -0.297 1.00 0.00 C ATOM 0 H ILE A 51 5.069 -3.076 -0.463 1.00 0.00 H new ATOM 0 HA ILE A 51 5.996 -5.568 0.732 1.00 0.00 H new ATOM 0 HB ILE A 51 5.934 -4.386 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.730 -4.964 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.289 -6.291 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.539 -6.666 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.835 -5.925 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.789 -7.173 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.002 -7.115 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.693 -7.661 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.125 -6.313 0.677 1.00 0.00 H new ATOM 834 N LYS A 52 8.245 -4.890 1.268 1.00 0.00 N ATOM 835 CA LYS A 52 9.629 -4.684 1.603 1.00 0.00 C ATOM 836 C LYS A 52 10.492 -4.899 0.379 1.00 0.00 C ATOM 837 O LYS A 52 11.253 -4.013 0.023 1.00 0.00 O ATOM 838 CB LYS A 52 10.015 -5.580 2.788 1.00 0.00 C ATOM 839 CG LYS A 52 11.369 -5.109 3.329 1.00 0.00 C ATOM 840 CD LYS A 52 11.804 -5.799 4.621 1.00 0.00 C ATOM 841 CE LYS A 52 12.277 -7.238 4.390 1.00 0.00 C ATOM 842 NZ LYS A 52 12.975 -7.771 5.579 1.00 0.00 N ATOM 0 H LYS A 52 7.765 -5.522 1.909 1.00 0.00 H new ATOM 0 HA LYS A 52 9.795 -3.655 1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.255 -5.526 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.074 -6.622 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.130 -5.277 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.324 -4.034 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.608 -5.226 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.972 -5.803 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.422 -7.871 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.945 -7.270 3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.283 -8.747 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.805 -7.180 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.329 -7.762 6.394 1.00 0.00 H new ATOM 856 N ASP A 53 10.349 -6.034 -0.301 1.00 0.00 N ATOM 857 CA ASP A 53 11.189 -6.353 -1.449 1.00 0.00 C ATOM 858 C ASP A 53 11.160 -5.266 -2.506 1.00 0.00 C ATOM 859 O ASP A 53 12.219 -4.864 -2.982 1.00 0.00 O ATOM 860 CB ASP A 53 10.813 -7.703 -2.065 1.00 0.00 C ATOM 861 CG ASP A 53 11.924 -8.681 -1.746 1.00 0.00 C ATOM 862 OD1 ASP A 53 11.915 -9.206 -0.616 1.00 0.00 O ATOM 863 OD2 ASP A 53 12.859 -8.837 -2.565 1.00 0.00 O ATOM 0 H ASP A 53 9.657 -6.749 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 53 12.209 -6.418 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.865 -8.057 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.685 -7.609 -3.143 1.00 0.00 H new ATOM 868 N ASP A 54 9.980 -4.765 -2.871 1.00 0.00 N ATOM 869 CA ASP A 54 9.893 -3.673 -3.812 1.00 0.00 C ATOM 870 C ASP A 54 10.443 -2.362 -3.266 1.00 0.00 C ATOM 871 O ASP A 54 11.008 -1.608 -4.050 1.00 0.00 O ATOM 872 CB ASP A 54 8.450 -3.506 -4.297 1.00 0.00 C ATOM 873 CG ASP A 54 8.213 -4.280 -5.590 1.00 0.00 C ATOM 874 OD1 ASP A 54 9.139 -4.334 -6.429 1.00 0.00 O ATOM 875 OD2 ASP A 54 7.084 -4.767 -5.809 1.00 0.00 O ATOM 0 H ASP A 54 9.081 -5.103 -2.526 1.00 0.00 H new ATOM 0 HA ASP A 54 10.529 -3.934 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.762 -3.857 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.237 -2.449 -4.458 1.00 0.00 H new ATOM 880 N PHE A 55 10.314 -2.073 -1.972 1.00 0.00 N ATOM 881 CA PHE A 55 10.847 -0.856 -1.359 1.00 0.00 C ATOM 882 C PHE A 55 12.374 -0.855 -1.372 1.00 0.00 C ATOM 883 O PHE A 55 13.013 0.133 -1.729 1.00 0.00 O ATOM 884 CB PHE A 55 10.345 -0.759 0.087 1.00 0.00 C ATOM 885 CG PHE A 55 10.414 0.618 0.732 1.00 0.00 C ATOM 886 CD1 PHE A 55 9.978 1.761 0.043 1.00 0.00 C ATOM 887 CD2 PHE A 55 10.867 0.769 2.051 1.00 0.00 C ATOM 888 CE1 PHE A 55 9.897 3.010 0.679 1.00 0.00 C ATOM 889 CE2 PHE A 55 10.906 2.036 2.649 1.00 0.00 C ATOM 890 CZ PHE A 55 10.377 3.154 1.987 1.00 0.00 C ATOM 0 H PHE A 55 9.832 -2.683 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 55 10.502 0.003 -1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.309 -1.098 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.923 -1.453 0.698 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.699 1.678 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.188 -0.098 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.467 3.855 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.347 2.153 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.340 4.114 2.480 1.00 0.00 H new ATOM 900 N LEU A 56 12.959 -1.999 -1.026 1.00 0.00 N ATOM 901 CA LEU A 56 14.382 -2.275 -1.102 1.00 0.00 C ATOM 902 C LEU A 56 14.835 -2.096 -2.542 1.00 0.00 C ATOM 903 O LEU A 56 15.800 -1.380 -2.814 1.00 0.00 O ATOM 904 CB LEU A 56 14.634 -3.714 -0.632 1.00 0.00 C ATOM 905 CG LEU A 56 14.312 -3.984 0.845 1.00 0.00 C ATOM 906 CD1 LEU A 56 14.396 -5.493 1.116 1.00 0.00 C ATOM 907 CD2 LEU A 56 15.293 -3.296 1.793 1.00 0.00 C ATOM 0 H LEU A 56 12.425 -2.792 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 56 14.944 -1.592 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.039 -4.390 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.681 -3.960 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 56 13.312 -3.591 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.168 -5.688 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.678 -6.017 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.402 -5.847 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.020 -3.520 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.302 -3.659 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.258 -2.218 1.634 1.00 0.00 H new ATOM 919 N ALA A 57 14.082 -2.684 -3.473 1.00 0.00 N ATOM 920 CA ALA A 57 14.334 -2.540 -4.894 1.00 0.00 C ATOM 921 C ALA A 57 14.032 -1.119 -5.397 1.00 0.00 C ATOM 922 O ALA A 57 14.319 -0.817 -6.556 1.00 0.00 O ATOM 923 CB ALA A 57 13.545 -3.598 -5.671 1.00 0.00 C ATOM 0 H ALA A 57 13.279 -3.274 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 57 15.398 -2.701 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.738 -3.485 -6.738 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.855 -4.592 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.480 -3.471 -5.480 1.00 0.00 H new ATOM 929 N ARG A 58 13.501 -0.224 -4.553 1.00 0.00 N ATOM 930 CA ARG A 58 13.305 1.187 -4.887 1.00 0.00 C ATOM 931 C ARG A 58 14.281 2.031 -4.059 1.00 0.00 C ATOM 932 O ARG A 58 13.993 3.184 -3.758 1.00 0.00 O ATOM 933 CB ARG A 58 11.826 1.517 -4.574 1.00 0.00 C ATOM 934 CG ARG A 58 11.225 2.802 -5.160 1.00 0.00 C ATOM 935 CD ARG A 58 10.657 2.645 -6.571 1.00 0.00 C ATOM 936 NE ARG A 58 11.717 2.514 -7.588 1.00 0.00 N ATOM 937 CZ ARG A 58 11.950 1.481 -8.415 1.00 0.00 C ATOM 938 NH1 ARG A 58 11.322 0.315 -8.308 1.00 0.00 N ATOM 939 NH2 ARG A 58 12.851 1.596 -9.377 1.00 0.00 N ATOM 0 H ARG A 58 13.194 -0.465 -3.611 1.00 0.00 H new ATOM 0 HA ARG A 58 13.505 1.404 -5.936 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.219 0.680 -4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.719 1.564 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.432 3.153 -4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.993 3.575 -5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.013 1.767 -6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.034 3.507 -6.808 1.00 0.00 H new ATOM 0 HE ARG A 58 12.353 3.307 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.628 0.175 -7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.533 -0.440 -8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.368 2.468 -9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.029 0.813 -10.005 1.00 0.00 H new ATOM 953 N GLY A 59 15.498 1.537 -3.826 1.00 0.00 N ATOM 954 CA GLY A 59 16.576 2.296 -3.209 1.00 0.00 C ATOM 955 C GLY A 59 16.258 2.877 -1.825 1.00 0.00 C ATOM 956 O GLY A 59 16.948 3.812 -1.422 1.00 0.00 O ATOM 0 H GLY A 59 15.762 0.582 -4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.450 1.650 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.850 3.115 -3.875 1.00 0.00 H new ATOM 960 N TYR A 60 15.261 2.374 -1.087 1.00 0.00 N ATOM 961 CA TYR A 60 14.920 2.858 0.246 1.00 0.00 C ATOM 962 C TYR A 60 15.614 1.988 1.295 1.00 0.00 C ATOM 963 O TYR A 60 16.266 0.985 0.968 1.00 0.00 O ATOM 964 CB TYR A 60 13.394 2.841 0.428 1.00 0.00 C ATOM 965 CG TYR A 60 12.634 3.963 -0.260 1.00 0.00 C ATOM 966 CD1 TYR A 60 12.369 5.151 0.448 1.00 0.00 C ATOM 967 CD2 TYR A 60 12.078 3.789 -1.543 1.00 0.00 C ATOM 968 CE1 TYR A 60 11.639 6.190 -0.147 1.00 0.00 C ATOM 969 CE2 TYR A 60 11.319 4.818 -2.130 1.00 0.00 C ATOM 970 CZ TYR A 60 11.117 6.034 -1.446 1.00 0.00 C ATOM 971 OH TYR A 60 10.381 7.024 -2.021 1.00 0.00 O ATOM 0 H TYR A 60 14.665 1.611 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 60 15.264 3.885 0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.013 1.889 0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.174 2.879 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.732 5.263 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.235 2.863 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 60 11.477 7.112 0.392 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.889 4.675 -3.110 1.00 0.00 H new ATOM 0 HH TYR A 60 9.833 6.648 -2.741 1.00 0.00 H new ATOM 981 N SER A 61 15.460 2.351 2.563 1.00 0.00 N ATOM 982 CA SER A 61 15.820 1.548 3.716 1.00 0.00 C ATOM 983 C SER A 61 14.581 1.340 4.576 1.00 0.00 C ATOM 984 O SER A 61 13.571 2.020 4.421 1.00 0.00 O ATOM 985 CB SER A 61 16.938 2.267 4.467 1.00 0.00 C ATOM 986 OG SER A 61 17.644 1.392 5.322 1.00 0.00 O ATOM 0 H SER A 61 15.063 3.254 2.822 1.00 0.00 H new ATOM 0 HA SER A 61 16.186 0.563 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.629 2.711 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.516 3.084 5.052 1.00 0.00 H new ATOM 0 HG SER A 61 18.352 1.887 5.784 1.00 0.00 H new ATOM 992 N GLU A 62 14.629 0.359 5.469 1.00 0.00 N ATOM 993 CA GLU A 62 13.440 -0.180 6.110 1.00 0.00 C ATOM 994 C GLU A 62 12.875 0.793 7.146 1.00 0.00 C ATOM 995 O GLU A 62 11.693 0.721 7.484 1.00 0.00 O ATOM 996 CB GLU A 62 13.760 -1.550 6.728 1.00 0.00 C ATOM 997 CG GLU A 62 14.274 -2.535 5.670 1.00 0.00 C ATOM 998 CD GLU A 62 14.899 -3.775 6.293 1.00 0.00 C ATOM 999 OE1 GLU A 62 14.167 -4.640 6.821 1.00 0.00 O ATOM 1000 OE2 GLU A 62 16.138 -3.925 6.157 1.00 0.00 O ATOM 0 H GLU A 62 15.497 -0.085 5.769 1.00 0.00 H new ATOM 0 HA GLU A 62 12.665 -0.316 5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.509 -1.432 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.865 -1.955 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.449 -2.832 5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.011 -2.037 5.040 1.00 0.00 H new ATOM 1007 N GLU A 63 13.697 1.718 7.636 1.00 0.00 N ATOM 1008 CA GLU A 63 13.285 2.774 8.545 1.00 0.00 C ATOM 1009 C GLU A 63 12.673 3.967 7.798 1.00 0.00 C ATOM 1010 O GLU A 63 12.053 4.830 8.421 1.00 0.00 O ATOM 1011 CB GLU A 63 14.507 3.202 9.366 1.00 0.00 C ATOM 1012 CG GLU A 63 14.101 3.998 10.614 1.00 0.00 C ATOM 1013 CD GLU A 63 15.222 4.070 11.644 1.00 0.00 C ATOM 1014 OE1 GLU A 63 15.560 3.011 12.217 1.00 0.00 O ATOM 1015 OE2 GLU A 63 15.735 5.170 11.957 1.00 0.00 O ATOM 0 H GLU A 63 14.690 1.751 7.404 1.00 0.00 H new ATOM 0 HA GLU A 63 12.504 2.397 9.205 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.072 2.319 9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.168 3.808 8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.815 5.008 10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.223 3.537 11.067 1.00 0.00 H new ATOM 1022 N ASP A 64 12.821 4.046 6.473 1.00 0.00 N ATOM 1023 CA ASP A 64 12.364 5.203 5.696 1.00 0.00 C ATOM 1024 C ASP A 64 10.839 5.201 5.575 1.00 0.00 C ATOM 1025 O ASP A 64 10.208 6.249 5.465 1.00 0.00 O ATOM 1026 CB ASP A 64 12.924 5.199 4.263 1.00 0.00 C ATOM 1027 CG ASP A 64 14.441 5.325 4.124 1.00 0.00 C ATOM 1028 OD1 ASP A 64 15.164 5.546 5.119 1.00 0.00 O ATOM 1029 OD2 ASP A 64 14.937 5.200 2.979 1.00 0.00 O ATOM 0 H ASP A 64 13.258 3.315 5.911 1.00 0.00 H new ATOM 0 HA ASP A 64 12.721 6.084 6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.612 4.274 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.462 6.019 3.714 1.00 0.00 H new ATOM 1034 N SER A 65 10.227 4.017 5.570 1.00 0.00 N ATOM 1035 CA SER A 65 8.810 3.865 5.301 1.00 0.00 C ATOM 1036 C SER A 65 8.025 4.213 6.563 1.00 0.00 C ATOM 1037 O SER A 65 8.186 3.509 7.566 1.00 0.00 O ATOM 1038 CB SER A 65 8.563 2.393 4.958 1.00 0.00 C ATOM 1039 OG SER A 65 7.213 2.057 4.771 1.00 0.00 O ATOM 0 H SER A 65 10.708 3.137 5.754 1.00 0.00 H new ATOM 0 HA SER A 65 8.498 4.516 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.114 2.147 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.971 1.774 5.757 1.00 0.00 H new ATOM 0 HG SER A 65 6.909 1.498 5.516 1.00 0.00 H new ATOM 1045 N LYS A 66 7.099 5.184 6.535 1.00 0.00 N ATOM 1046 CA LYS A 66 6.234 5.392 7.711 1.00 0.00 C ATOM 1047 C LYS A 66 5.057 4.412 7.727 1.00 0.00 C ATOM 1048 O LYS A 66 3.968 4.730 8.201 1.00 0.00 O ATOM 1049 CB LYS A 66 5.761 6.857 7.717 1.00 0.00 C ATOM 1050 CG LYS A 66 4.527 7.210 6.853 1.00 0.00 C ATOM 1051 CD LYS A 66 4.783 8.528 6.143 1.00 0.00 C ATOM 1052 CE LYS A 66 3.593 9.152 5.415 1.00 0.00 C ATOM 1053 NZ LYS A 66 2.566 9.668 6.334 1.00 0.00 N ATOM 0 H LYS A 66 6.932 5.813 5.750 1.00 0.00 H new ATOM 0 HA LYS A 66 6.802 5.194 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.542 7.136 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.592 7.481 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.338 6.421 6.125 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.638 7.286 7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.148 9.246 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.584 8.376 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.947 9.965 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.144 8.407 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.092 10.486 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.865 8.924 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.014 9.959 7.227 1.00 0.00 H new ATOM 1067 N VAL A 67 5.284 3.180 7.277 1.00 0.00 N ATOM 1068 CA VAL A 67 4.290 2.126 7.172 1.00 0.00 C ATOM 1069 C VAL A 67 5.073 0.814 7.294 1.00 0.00 C ATOM 1070 O VAL A 67 6.265 0.778 6.959 1.00 0.00 O ATOM 1071 CB VAL A 67 3.441 2.236 5.869 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.031 3.677 5.495 1.00 0.00 C ATOM 1073 CG2 VAL A 67 4.008 1.517 4.633 1.00 0.00 C ATOM 0 H VAL A 67 6.207 2.881 6.963 1.00 0.00 H new ATOM 0 HA VAL A 67 3.540 2.195 7.960 1.00 0.00 H new ATOM 0 HB VAL A 67 2.544 1.689 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.444 3.662 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.435 4.106 6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.925 4.282 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.335 1.661 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.988 1.928 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.103 0.452 4.843 1.00 0.00 H new ATOM 1083 N PRO A 68 4.426 -0.280 7.707 1.00 0.00 N ATOM 1084 CA PRO A 68 5.095 -1.544 7.935 1.00 0.00 C ATOM 1085 C PRO A 68 5.490 -2.163 6.598 1.00 0.00 C ATOM 1086 O PRO A 68 4.856 -1.928 5.566 1.00 0.00 O ATOM 1087 CB PRO A 68 4.095 -2.399 8.714 1.00 0.00 C ATOM 1088 CG PRO A 68 2.756 -1.849 8.245 1.00 0.00 C ATOM 1089 CD PRO A 68 3.006 -0.390 7.935 1.00 0.00 C ATOM 0 HA PRO A 68 6.021 -1.444 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.201 -3.459 8.484 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.223 -2.293 9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.400 -2.382 7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.994 -1.962 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.442 -0.074 7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.691 0.246 8.762 1.00 0.00 H new ATOM 1097 N LEU A 69 6.528 -2.986 6.626 1.00 0.00 N ATOM 1098 CA LEU A 69 7.229 -3.454 5.443 1.00 0.00 C ATOM 1099 C LEU A 69 7.205 -4.965 5.417 1.00 0.00 C ATOM 1100 O LEU A 69 8.130 -5.648 5.864 1.00 0.00 O ATOM 1101 CB LEU A 69 8.651 -2.881 5.436 1.00 0.00 C ATOM 1102 CG LEU A 69 8.782 -1.379 5.176 1.00 0.00 C ATOM 1103 CD1 LEU A 69 10.270 -1.038 5.166 1.00 0.00 C ATOM 1104 CD2 LEU A 69 8.149 -0.991 3.845 1.00 0.00 C ATOM 0 H LEU A 69 6.914 -3.355 7.495 1.00 0.00 H new ATOM 0 HA LEU A 69 6.737 -3.106 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.112 -3.102 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.228 -3.410 4.677 1.00 0.00 H new ATOM 0 HG LEU A 69 8.261 -0.825 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.398 0.029 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.709 -1.295 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.768 -1.604 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.258 0.082 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.645 -1.528 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.090 -1.250 3.856 1.00 0.00 H new ATOM 1116 N ILE A 70 6.112 -5.472 4.869 1.00 0.00 N ATOM 1117 CA ILE A 70 5.775 -6.876 4.877 1.00 0.00 C ATOM 1118 C ILE A 70 6.402 -7.578 3.680 1.00 0.00 C ATOM 1119 O ILE A 70 6.939 -6.946 2.768 1.00 0.00 O ATOM 1120 CB ILE A 70 4.246 -7.038 4.941 1.00 0.00 C ATOM 1121 CG1 ILE A 70 3.502 -6.721 3.617 1.00 0.00 C ATOM 1122 CG2 ILE A 70 3.713 -6.294 6.174 1.00 0.00 C ATOM 1123 CD1 ILE A 70 2.005 -7.043 3.638 1.00 0.00 C ATOM 0 H ILE A 70 5.418 -4.896 4.393 1.00 0.00 H new ATOM 0 HA ILE A 70 6.187 -7.356 5.764 1.00 0.00 H new ATOM 0 HB ILE A 70 4.023 -8.098 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.630 -5.663 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.970 -7.282 2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.630 -6.405 6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.164 -6.712 7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.967 -5.237 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.565 -6.791 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.864 -8.106 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.519 -6.462 4.422 1.00 0.00 H new ATOM 1135 N THR A 71 6.324 -8.900 3.674 1.00 0.00 N ATOM 1136 CA THR A 71 6.727 -9.701 2.541 1.00 0.00 C ATOM 1137 C THR A 71 5.580 -9.739 1.523 1.00 0.00 C ATOM 1138 O THR A 71 4.416 -9.526 1.878 1.00 0.00 O ATOM 1139 CB THR A 71 7.049 -11.110 3.060 1.00 0.00 C ATOM 1140 OG1 THR A 71 5.948 -11.655 3.773 1.00 0.00 O ATOM 1141 CG2 THR A 71 8.276 -11.097 3.979 1.00 0.00 C ATOM 0 H THR A 71 5.976 -9.445 4.463 1.00 0.00 H new ATOM 0 HA THR A 71 7.605 -9.284 2.048 1.00 0.00 H new ATOM 0 HB THR A 71 7.260 -11.729 2.188 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.177 -12.553 4.092 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.478 -12.109 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.139 -10.725 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.084 -10.448 4.833 1.00 0.00 H new ATOM 1149 N TYR A 72 5.865 -10.149 0.283 1.00 0.00 N ATOM 1150 CA TYR A 72 4.814 -10.483 -0.679 1.00 0.00 C ATOM 1151 C TYR A 72 3.832 -11.523 -0.104 1.00 0.00 C ATOM 1152 O TYR A 72 2.669 -11.523 -0.493 1.00 0.00 O ATOM 1153 CB TYR A 72 5.444 -10.987 -1.990 1.00 0.00 C ATOM 1154 CG TYR A 72 5.719 -9.950 -3.073 1.00 0.00 C ATOM 1155 CD1 TYR A 72 4.729 -9.691 -4.039 1.00 0.00 C ATOM 1156 CD2 TYR A 72 6.973 -9.316 -3.192 1.00 0.00 C ATOM 1157 CE1 TYR A 72 4.979 -8.820 -5.114 1.00 0.00 C ATOM 1158 CE2 TYR A 72 7.245 -8.470 -4.290 1.00 0.00 C ATOM 1159 CZ TYR A 72 6.235 -8.191 -5.242 1.00 0.00 C ATOM 1160 OH TYR A 72 6.466 -7.356 -6.300 1.00 0.00 O ATOM 0 H TYR A 72 6.814 -10.257 -0.076 1.00 0.00 H new ATOM 0 HA TYR A 72 4.241 -9.579 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.386 -11.478 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.787 -11.748 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.764 -10.168 -3.953 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.730 -9.478 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.206 -8.632 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.227 -8.035 -4.404 1.00 0.00 H new ATOM 0 HH TYR A 72 6.612 -6.444 -5.971 1.00 0.00 H new ATOM 1170 N SER A 73 4.258 -12.394 0.818 1.00 0.00 N ATOM 1171 CA SER A 73 3.414 -13.458 1.347 1.00 0.00 C ATOM 1172 C SER A 73 2.414 -12.973 2.397 1.00 0.00 C ATOM 1173 O SER A 73 1.282 -13.455 2.420 1.00 0.00 O ATOM 1174 CB SER A 73 4.272 -14.561 1.950 1.00 0.00 C ATOM 1175 OG SER A 73 5.383 -14.857 1.115 1.00 0.00 O ATOM 0 H SER A 73 5.198 -12.377 1.215 1.00 0.00 H new ATOM 0 HA SER A 73 2.840 -13.837 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.624 -14.255 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.670 -15.458 2.092 1.00 0.00 H new ATOM 0 HG SER A 73 5.920 -15.567 1.524 1.00 0.00 H new ATOM 1181 N GLU A 74 2.810 -12.048 3.277 1.00 0.00 N ATOM 1182 CA GLU A 74 1.904 -11.396 4.214 1.00 0.00 C ATOM 1183 C GLU A 74 0.822 -10.654 3.441 1.00 0.00 C ATOM 1184 O GLU A 74 -0.309 -10.619 3.913 1.00 0.00 O ATOM 1185 CB GLU A 74 2.669 -10.418 5.115 1.00 0.00 C ATOM 1186 CG GLU A 74 3.312 -11.076 6.340 1.00 0.00 C ATOM 1187 CD GLU A 74 3.726 -10.068 7.425 1.00 0.00 C ATOM 1188 OE1 GLU A 74 2.915 -9.197 7.810 1.00 0.00 O ATOM 1189 OE2 GLU A 74 4.879 -10.140 7.919 1.00 0.00 O ATOM 0 H GLU A 74 3.777 -11.732 3.356 1.00 0.00 H new ATOM 0 HA GLU A 74 1.444 -12.156 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.446 -9.930 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.986 -9.638 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.612 -11.793 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.190 -11.639 6.023 1.00 0.00 H new ATOM 1196 N PHE A 75 1.128 -10.092 2.264 1.00 0.00 N ATOM 1197 CA PHE A 75 0.100 -9.453 1.457 1.00 0.00 C ATOM 1198 C PHE A 75 -0.980 -10.472 1.106 1.00 0.00 C ATOM 1199 O PHE A 75 -2.141 -10.175 1.349 1.00 0.00 O ATOM 1200 CB PHE A 75 0.690 -8.778 0.216 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.305 -8.421 -0.884 1.00 0.00 C ATOM 1202 CD1 PHE A 75 -1.406 -7.582 -0.625 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -0.111 -8.897 -2.193 1.00 0.00 C ATOM 1204 CE1 PHE A 75 -2.212 -7.108 -1.675 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.929 -8.447 -3.244 1.00 0.00 C ATOM 1206 CZ PHE A 75 -1.960 -7.527 -2.990 1.00 0.00 C ATOM 0 H PHE A 75 2.065 -10.070 1.861 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.360 -8.655 2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.199 -7.866 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.448 -9.437 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.634 -7.299 0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.672 -9.614 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.022 -6.424 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.765 -8.809 -4.248 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.557 -7.144 -3.804 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.617 -11.658 0.597 1.00 0.00 N ATOM 1217 CA ILE A 76 -1.562 -12.681 0.130 1.00 0.00 C ATOM 1218 C ILE A 76 -2.619 -13.001 1.186 1.00 0.00 C ATOM 1219 O ILE A 76 -3.785 -13.135 0.821 1.00 0.00 O ATOM 1220 CB ILE A 76 -0.790 -13.954 -0.315 1.00 0.00 C ATOM 1221 CG1 ILE A 76 0.239 -13.690 -1.430 1.00 0.00 C ATOM 1222 CG2 ILE A 76 -1.748 -15.062 -0.787 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.194 -12.717 -2.530 1.00 0.00 C ATOM 0 H ILE A 76 0.359 -11.938 0.497 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.097 -12.284 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.250 -14.278 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.150 -13.306 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.493 -14.643 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.172 -15.936 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.419 -15.334 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.333 -14.701 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.610 -12.610 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.084 -13.102 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.416 -11.745 -2.089 1.00 0.00 H new ATOM 1235 N ASP A 77 -2.237 -13.085 2.461 1.00 0.00 N ATOM 1236 CA ASP A 77 -3.148 -13.336 3.583 1.00 0.00 C ATOM 1237 C ASP A 77 -4.246 -12.279 3.696 1.00 0.00 C ATOM 1238 O ASP A 77 -5.382 -12.569 4.078 1.00 0.00 O ATOM 1239 CB ASP A 77 -2.326 -13.356 4.871 1.00 0.00 C ATOM 1240 CG ASP A 77 -3.184 -13.143 6.125 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -3.860 -14.094 6.572 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -3.111 -12.048 6.730 1.00 0.00 O ATOM 0 H ASP A 77 -1.265 -12.978 2.751 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.643 -14.292 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.805 -14.310 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.563 -12.579 4.822 1.00 0.00 H new ATOM 1247 N LEU A 78 -3.909 -11.037 3.354 1.00 0.00 N ATOM 1248 CA LEU A 78 -4.845 -9.932 3.415 1.00 0.00 C ATOM 1249 C LEU A 78 -5.958 -10.121 2.383 1.00 0.00 C ATOM 1250 O LEU A 78 -7.069 -9.649 2.624 1.00 0.00 O ATOM 1251 CB LEU A 78 -4.132 -8.582 3.205 1.00 0.00 C ATOM 1252 CG LEU A 78 -2.957 -8.333 4.163 1.00 0.00 C ATOM 1253 CD1 LEU A 78 -2.272 -7.012 3.817 1.00 0.00 C ATOM 1254 CD2 LEU A 78 -3.437 -8.299 5.614 1.00 0.00 C ATOM 0 H LEU A 78 -2.979 -10.775 3.028 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.289 -9.920 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.766 -8.533 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.859 -7.778 3.323 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.245 -9.151 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.440 -6.843 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.898 -7.053 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.988 -6.196 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.588 -8.121 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.166 -7.498 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.900 -9.253 5.867 1.00 0.00 H new ATOM 1266 N LEU A 79 -5.660 -10.755 1.238 1.00 0.00 N ATOM 1267 CA LEU A 79 -6.614 -11.096 0.201 1.00 0.00 C ATOM 1268 C LEU A 79 -7.492 -12.248 0.706 1.00 0.00 C ATOM 1269 O LEU A 79 -8.406 -12.049 1.500 1.00 0.00 O ATOM 1270 CB LEU A 79 -5.912 -11.421 -1.124 1.00 0.00 C ATOM 1271 CG LEU A 79 -5.116 -10.279 -1.753 1.00 0.00 C ATOM 1272 CD1 LEU A 79 -5.935 -9.009 -1.925 1.00 0.00 C ATOM 1273 CD2 LEU A 79 -3.829 -9.943 -1.032 1.00 0.00 C ATOM 0 H LEU A 79 -4.710 -11.050 1.012 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.254 -10.239 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.237 -12.261 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.664 -11.752 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.851 -10.671 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.315 -8.235 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.790 -9.212 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.288 -8.669 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.328 -9.122 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.053 -9.647 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.178 -10.817 -1.024 1.00 0.00 H new ATOM 1285 N GLU A 80 -7.189 -13.469 0.266 1.00 0.00 N ATOM 1286 CA GLU A 80 -7.892 -14.711 0.555 1.00 0.00 C ATOM 1287 C GLU A 80 -9.408 -14.547 0.412 1.00 0.00 C ATOM 1288 O GLU A 80 -10.197 -14.891 1.296 1.00 0.00 O ATOM 1289 CB GLU A 80 -7.417 -15.314 1.893 1.00 0.00 C ATOM 1290 CG GLU A 80 -5.929 -15.702 1.810 1.00 0.00 C ATOM 1291 CD GLU A 80 -5.658 -16.767 0.729 1.00 0.00 C ATOM 1292 OE1 GLU A 80 -6.580 -17.495 0.301 1.00 0.00 O ATOM 1293 OE2 GLU A 80 -4.549 -16.747 0.150 1.00 0.00 O ATOM 0 H GLU A 80 -6.387 -13.623 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.632 -15.455 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.567 -14.594 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.015 -16.192 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.336 -14.813 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.600 -16.079 2.778 1.00 0.00 H new ATOM 1300 N GLY A 81 -9.828 -14.037 -0.749 1.00 0.00 N ATOM 1301 CA GLY A 81 -11.233 -13.798 -1.050 1.00 0.00 C ATOM 1302 C GLY A 81 -11.707 -12.427 -0.578 1.00 0.00 C ATOM 1303 O GLY A 81 -12.833 -12.279 -0.109 1.00 0.00 O ATOM 0 H GLY A 81 -9.196 -13.779 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.390 -13.883 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.839 -14.571 -0.577 1.00 0.00 H new ATOM 1307 N GLU A 82 -10.858 -11.409 -0.715 1.00 0.00 N ATOM 1308 CA GLU A 82 -11.189 -10.010 -0.452 1.00 0.00 C ATOM 1309 C GLU A 82 -10.738 -9.234 -1.681 1.00 0.00 C ATOM 1310 O GLU A 82 -9.968 -8.274 -1.613 1.00 0.00 O ATOM 1311 CB GLU A 82 -10.525 -9.522 0.842 1.00 0.00 C ATOM 1312 CG GLU A 82 -11.329 -9.901 2.084 1.00 0.00 C ATOM 1313 CD GLU A 82 -12.527 -8.961 2.227 1.00 0.00 C ATOM 1314 OE1 GLU A 82 -12.338 -7.747 2.471 1.00 0.00 O ATOM 1315 OE2 GLU A 82 -13.695 -9.361 2.024 1.00 0.00 O ATOM 0 H GLU A 82 -9.894 -11.539 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.257 -9.866 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.524 -9.946 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.410 -8.439 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.671 -10.933 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.698 -9.840 2.971 1.00 0.00 H new ATOM 1322 N GLU A 83 -11.151 -9.728 -2.844 1.00 0.00 N ATOM 1323 CA GLU A 83 -10.580 -9.386 -4.123 1.00 0.00 C ATOM 1324 C GLU A 83 -11.112 -8.047 -4.631 1.00 0.00 C ATOM 1325 O GLU A 83 -11.770 -7.964 -5.672 1.00 0.00 O ATOM 1326 CB GLU A 83 -10.722 -10.578 -5.084 1.00 0.00 C ATOM 1327 CG GLU A 83 -9.444 -10.812 -5.886 1.00 0.00 C ATOM 1328 CD GLU A 83 -9.820 -11.329 -7.274 1.00 0.00 C ATOM 1329 OE1 GLU A 83 -10.086 -12.545 -7.404 1.00 0.00 O ATOM 1330 OE2 GLU A 83 -9.985 -10.482 -8.187 1.00 0.00 O ATOM 0 H GLU A 83 -11.917 -10.398 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.508 -9.212 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.965 -11.476 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.552 -10.398 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.876 -9.885 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.805 -11.532 -5.375 1.00 0.00 H new ATOM 1337 N LYS A 84 -10.807 -6.987 -3.876 1.00 0.00 N ATOM 1338 CA LYS A 84 -11.110 -5.603 -4.194 1.00 0.00 C ATOM 1339 C LYS A 84 -10.172 -4.608 -3.505 1.00 0.00 C ATOM 1340 O LYS A 84 -10.608 -3.510 -3.169 1.00 0.00 O ATOM 1341 CB LYS A 84 -12.605 -5.369 -3.898 1.00 0.00 C ATOM 1342 CG LYS A 84 -13.216 -5.859 -2.570 1.00 0.00 C ATOM 1343 CD LYS A 84 -12.832 -5.144 -1.265 1.00 0.00 C ATOM 1344 CE LYS A 84 -12.108 -6.124 -0.336 1.00 0.00 C ATOM 1345 NZ LYS A 84 -11.813 -5.540 0.988 1.00 0.00 N ATOM 0 H LYS A 84 -10.319 -7.084 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.928 -5.417 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.783 -4.295 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.171 -5.833 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.300 -5.806 -2.667 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.957 -6.912 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.190 -4.290 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.725 -4.755 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.721 -7.016 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.176 -6.442 -0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.961 -6.259 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.825 -5.217 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.446 -4.733 1.160 1.00 0.00 H new ATOM 1359 N PHE A 85 -8.873 -4.910 -3.383 1.00 0.00 N ATOM 1360 CA PHE A 85 -7.872 -3.873 -3.098 1.00 0.00 C ATOM 1361 C PHE A 85 -6.475 -4.231 -3.595 1.00 0.00 C ATOM 1362 O PHE A 85 -5.472 -3.852 -3.002 1.00 0.00 O ATOM 1363 CB PHE A 85 -7.843 -3.577 -1.580 1.00 0.00 C ATOM 1364 CG PHE A 85 -7.348 -4.721 -0.702 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -8.226 -5.745 -0.301 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.006 -4.764 -0.271 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.764 -6.790 0.516 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -5.542 -5.801 0.552 1.00 0.00 C ATOM 1369 CZ PHE A 85 -6.429 -6.811 0.942 1.00 0.00 C ATOM 0 H PHE A 85 -8.493 -5.852 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.173 -2.981 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.208 -2.708 -1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.849 -3.305 -1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.257 -5.727 -0.622 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.324 -3.986 -0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.438 -7.578 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.513 -5.820 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.082 -7.613 1.576 1.00 0.00 H new ATOM 1379 N ILE A 86 -6.387 -4.873 -4.748 1.00 0.00 N ATOM 1380 CA ILE A 86 -5.169 -5.576 -5.115 1.00 0.00 C ATOM 1381 C ILE A 86 -4.150 -4.579 -5.693 1.00 0.00 C ATOM 1382 O ILE A 86 -4.397 -3.369 -5.744 1.00 0.00 O ATOM 1383 CB ILE A 86 -5.486 -6.769 -6.049 1.00 0.00 C ATOM 1384 CG1 ILE A 86 -6.939 -7.281 -5.989 1.00 0.00 C ATOM 1385 CG2 ILE A 86 -4.592 -7.956 -5.690 1.00 0.00 C ATOM 1386 CD1 ILE A 86 -7.386 -7.770 -4.606 1.00 0.00 C ATOM 0 H ILE A 86 -7.135 -4.922 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.706 -6.015 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.311 -6.382 -7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.606 -6.481 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.053 -8.097 -6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.818 -8.794 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.546 -7.673 -5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.774 -8.249 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.420 -8.111 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.747 -8.594 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.309 -6.953 -3.889 1.00 0.00 H new ATOM 1398 N GLY A 87 -3.023 -5.074 -6.197 1.00 0.00 N ATOM 1399 CA GLY A 87 -2.186 -4.288 -7.071 1.00 0.00 C ATOM 1400 C GLY A 87 -0.732 -4.610 -6.958 1.00 0.00 C ATOM 1401 O GLY A 87 -0.376 -5.433 -6.078 1.00 0.00 O ATOM 0 H GLY A 87 -2.677 -6.015 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.505 -4.444 -8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.334 -3.231 -6.848 1.00 0.00 H new TER 1405 GLY A 87