USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 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 Single : A 1 MET CE :methyl 169:sc=-0.00151 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 74:sc= 0.368 USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00733) USER MOD Single : A 24 GLN : amide:sc= 0.171 X(o=0.17,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= -0.756 (180deg=-2.71!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 99:sc= 1.27 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0.651 (180deg=0.601) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00985) USER MOD Single : A 50 MET CE :methyl 159:sc= -0.304 (180deg=-0.83) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= 1.21 (180deg=0.239) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -134:sc= -0.972 (180deg=-1.38) USER MOD Single : A 60 ASN : amide:sc= -0.091 K(o=-0.091,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0.315 (180deg=0.314) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 73 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-0.8) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.2) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.368 14.144 -6.578 1.00 71.02 N ATOM 2 CA MET A 1 0.782 12.806 -6.353 1.00 61.55 C ATOM 3 C MET A 1 1.894 11.752 -6.353 1.00 62.22 C ATOM 4 O MET A 1 2.517 11.521 -7.400 1.00 72.43 O ATOM 5 CB MET A 1 -0.274 12.480 -7.453 1.00 54.10 C ATOM 6 CG MET A 1 -0.986 11.120 -7.292 1.00 25.33 C ATOM 7 SD MET A 1 -2.232 10.810 -8.568 1.00 53.30 S ATOM 8 CE MET A 1 -1.233 10.657 -10.053 1.00 41.20 C ATOM 0 H1 MET A 1 0.612 14.858 -6.578 1.00 71.02 H new ATOM 0 H2 MET A 1 2.047 14.358 -5.820 1.00 71.02 H new ATOM 0 H3 MET A 1 1.858 14.159 -7.495 1.00 71.02 H new ATOM 0 HA MET A 1 0.280 12.797 -5.386 1.00 61.55 H new ATOM 0 HB2 MET A 1 -1.026 13.269 -7.458 1.00 54.10 H new ATOM 0 HB3 MET A 1 0.218 12.503 -8.425 1.00 54.10 H new ATOM 0 HG2 MET A 1 -0.243 10.323 -7.318 1.00 25.33 H new ATOM 0 HG3 MET A 1 -1.462 11.080 -6.312 1.00 25.33 H new ATOM 0 HE1 MET A 1 -1.848 10.275 -10.868 1.00 41.20 H new ATOM 0 HE2 MET A 1 -0.835 11.634 -10.326 1.00 41.20 H new ATOM 0 HE3 MET A 1 -0.409 9.969 -9.868 1.00 41.20 H new ATOM 20 N VAL A 2 2.174 11.144 -5.177 1.00 54.51 N ATOM 21 CA VAL A 2 3.089 9.996 -5.090 1.00 33.33 C ATOM 22 C VAL A 2 2.284 8.718 -5.381 1.00 54.14 C ATOM 23 O VAL A 2 1.447 8.292 -4.577 1.00 71.53 O ATOM 24 CB VAL A 2 3.837 9.888 -3.708 1.00 64.45 C ATOM 25 CG1 VAL A 2 4.844 8.704 -3.708 1.00 4.51 C ATOM 26 CG2 VAL A 2 4.556 11.214 -3.367 1.00 42.34 C ATOM 0 H VAL A 2 1.778 11.432 -4.282 1.00 54.51 H new ATOM 0 HA VAL A 2 3.877 10.136 -5.830 1.00 33.33 H new ATOM 0 HB VAL A 2 3.090 9.696 -2.938 1.00 64.45 H new ATOM 0 HG11 VAL A 2 5.346 8.653 -2.742 1.00 4.51 H new ATOM 0 HG12 VAL A 2 4.309 7.772 -3.889 1.00 4.51 H new ATOM 0 HG13 VAL A 2 5.584 8.856 -4.494 1.00 4.51 H new ATOM 0 HG21 VAL A 2 5.065 11.116 -2.408 1.00 42.34 H new ATOM 0 HG22 VAL A 2 5.286 11.443 -4.144 1.00 42.34 H new ATOM 0 HG23 VAL A 2 3.824 12.020 -3.308 1.00 42.34 H new ATOM 36 N ASP A 3 2.541 8.147 -6.559 1.00 11.43 N ATOM 37 CA ASP A 3 1.873 6.952 -7.057 1.00 41.42 C ATOM 38 C ASP A 3 2.625 5.713 -6.545 1.00 53.33 C ATOM 39 O ASP A 3 3.730 5.415 -7.015 1.00 10.42 O ATOM 40 CB ASP A 3 1.843 6.987 -8.611 1.00 2.41 C ATOM 41 CG ASP A 3 0.979 5.869 -9.232 1.00 2.13 C ATOM 42 OD1 ASP A 3 1.483 4.738 -9.420 1.00 3.33 O ATOM 43 OD2 ASP A 3 -0.203 6.124 -9.565 1.00 75.34 O ATOM 0 H ASP A 3 3.238 8.515 -7.207 1.00 11.43 H new ATOM 0 HA ASP A 3 0.845 6.911 -6.698 1.00 41.42 H new ATOM 0 HB2 ASP A 3 1.462 7.955 -8.938 1.00 2.41 H new ATOM 0 HB3 ASP A 3 2.862 6.901 -8.989 1.00 2.41 H new ATOM 48 N LEU A 4 2.051 5.047 -5.540 1.00 73.01 N ATOM 49 CA LEU A 4 2.598 3.817 -4.960 1.00 20.21 C ATOM 50 C LEU A 4 1.835 2.619 -5.545 1.00 43.10 C ATOM 51 O LEU A 4 0.635 2.474 -5.306 1.00 4.14 O ATOM 52 CB LEU A 4 2.449 3.849 -3.407 1.00 14.21 C ATOM 53 CG LEU A 4 3.118 5.050 -2.667 1.00 42.33 C ATOM 54 CD1 LEU A 4 2.841 4.997 -1.151 1.00 41.23 C ATOM 55 CD2 LEU A 4 4.630 5.096 -2.947 1.00 30.21 C ATOM 0 H LEU A 4 1.182 5.350 -5.100 1.00 73.01 H new ATOM 0 HA LEU A 4 3.658 3.729 -5.200 1.00 20.21 H new ATOM 0 HB2 LEU A 4 1.386 3.850 -3.166 1.00 14.21 H new ATOM 0 HB3 LEU A 4 2.866 2.926 -3.005 1.00 14.21 H new ATOM 0 HG LEU A 4 2.674 5.967 -3.055 1.00 42.33 H new ATOM 0 HD11 LEU A 4 3.320 5.846 -0.664 1.00 41.23 H new ATOM 0 HD12 LEU A 4 1.766 5.037 -0.976 1.00 41.23 H new ATOM 0 HD13 LEU A 4 3.241 4.070 -0.740 1.00 41.23 H new ATOM 0 HD21 LEU A 4 5.072 5.942 -2.420 1.00 30.21 H new ATOM 0 HD22 LEU A 4 5.092 4.171 -2.602 1.00 30.21 H new ATOM 0 HD23 LEU A 4 4.798 5.208 -4.018 1.00 30.21 H new ATOM 67 N LYS A 5 2.517 1.798 -6.356 1.00 53.25 N ATOM 68 CA LYS A 5 1.978 0.517 -6.832 1.00 21.40 C ATOM 69 C LYS A 5 2.615 -0.594 -6.015 1.00 14.23 C ATOM 70 O LYS A 5 3.830 -0.803 -6.088 1.00 35.21 O ATOM 71 CB LYS A 5 2.269 0.270 -8.329 1.00 55.42 C ATOM 72 CG LYS A 5 1.660 1.300 -9.306 1.00 51.20 C ATOM 73 CD LYS A 5 1.672 0.789 -10.767 1.00 71.45 C ATOM 74 CE LYS A 5 3.085 0.406 -11.271 1.00 54.23 C ATOM 75 NZ LYS A 5 3.009 -0.528 -12.424 1.00 51.00 N ATOM 0 H LYS A 5 3.455 2.003 -6.700 1.00 53.25 H new ATOM 0 HA LYS A 5 0.895 0.538 -6.713 1.00 21.40 H new ATOM 0 HB2 LYS A 5 3.349 0.254 -8.473 1.00 55.42 H new ATOM 0 HB3 LYS A 5 1.897 -0.720 -8.594 1.00 55.42 H new ATOM 0 HG2 LYS A 5 0.635 1.521 -9.008 1.00 51.20 H new ATOM 0 HG3 LYS A 5 2.219 2.234 -9.244 1.00 51.20 H new ATOM 0 HD2 LYS A 5 1.018 -0.079 -10.846 1.00 71.45 H new ATOM 0 HD3 LYS A 5 1.258 1.560 -11.417 1.00 71.45 H new ATOM 0 HE2 LYS A 5 3.626 1.306 -11.564 1.00 54.23 H new ATOM 0 HE3 LYS A 5 3.650 -0.056 -10.462 1.00 54.23 H new ATOM 0 HZ1 LYS A 5 3.970 -0.767 -12.741 1.00 51.00 H new ATOM 0 HZ2 LYS A 5 2.513 -1.396 -12.136 1.00 51.00 H new ATOM 0 HZ3 LYS A 5 2.490 -0.076 -13.204 1.00 51.00 H new ATOM 89 N ILE A 6 1.795 -1.308 -5.254 1.00 53.21 N ATOM 90 CA ILE A 6 2.251 -2.438 -4.455 1.00 31.23 C ATOM 91 C ILE A 6 1.896 -3.724 -5.221 1.00 43.31 C ATOM 92 O ILE A 6 0.740 -4.155 -5.233 1.00 5.40 O ATOM 93 CB ILE A 6 1.600 -2.447 -3.010 1.00 55.40 C ATOM 94 CG1 ILE A 6 2.051 -1.209 -2.150 1.00 53.22 C ATOM 95 CG2 ILE A 6 1.921 -3.766 -2.266 1.00 40.31 C ATOM 96 CD1 ILE A 6 1.420 0.130 -2.517 1.00 34.53 C ATOM 0 H ILE A 6 0.796 -1.120 -5.173 1.00 53.21 H new ATOM 0 HA ILE A 6 3.328 -2.363 -4.303 1.00 31.23 H new ATOM 0 HB ILE A 6 0.521 -2.376 -3.148 1.00 55.40 H new ATOM 0 HG12 ILE A 6 1.827 -1.418 -1.104 1.00 53.22 H new ATOM 0 HG13 ILE A 6 3.134 -1.111 -2.231 1.00 53.22 H new ATOM 0 HG21 ILE A 6 1.463 -3.747 -1.277 1.00 40.31 H new ATOM 0 HG22 ILE A 6 1.526 -4.609 -2.833 1.00 40.31 H new ATOM 0 HG23 ILE A 6 3.001 -3.872 -2.163 1.00 40.31 H new ATOM 0 HD11 ILE A 6 1.806 0.907 -1.858 1.00 34.53 H new ATOM 0 HD12 ILE A 6 1.664 0.376 -3.550 1.00 34.53 H new ATOM 0 HD13 ILE A 6 0.338 0.065 -2.406 1.00 34.53 H new ATOM 108 N ASP A 7 2.908 -4.325 -5.870 1.00 53.41 N ATOM 109 CA ASP A 7 2.775 -5.628 -6.525 1.00 60.11 C ATOM 110 C ASP A 7 2.506 -6.681 -5.455 1.00 12.13 C ATOM 111 O ASP A 7 3.281 -6.814 -4.503 1.00 71.32 O ATOM 112 CB ASP A 7 4.053 -5.972 -7.329 1.00 14.25 C ATOM 113 CG ASP A 7 4.065 -7.413 -7.886 1.00 41.15 C ATOM 114 OD1 ASP A 7 3.481 -7.656 -8.953 1.00 44.31 O ATOM 115 OD2 ASP A 7 4.662 -8.315 -7.242 1.00 14.01 O ATOM 0 H ASP A 7 3.839 -3.917 -5.953 1.00 53.41 H new ATOM 0 HA ASP A 7 1.945 -5.602 -7.231 1.00 60.11 H new ATOM 0 HB2 ASP A 7 4.151 -5.270 -8.158 1.00 14.25 H new ATOM 0 HB3 ASP A 7 4.924 -5.832 -6.688 1.00 14.25 H new ATOM 120 N VAL A 8 1.400 -7.412 -5.607 1.00 41.43 N ATOM 121 CA VAL A 8 0.941 -8.420 -4.643 1.00 15.30 C ATOM 122 C VAL A 8 0.778 -9.773 -5.353 1.00 54.22 C ATOM 123 O VAL A 8 0.339 -9.830 -6.510 1.00 23.12 O ATOM 124 CB VAL A 8 -0.420 -8.008 -3.958 1.00 12.31 C ATOM 125 CG1 VAL A 8 -0.207 -6.870 -2.934 1.00 42.32 C ATOM 126 CG2 VAL A 8 -1.479 -7.609 -5.018 1.00 51.13 C ATOM 0 H VAL A 8 0.786 -7.320 -6.416 1.00 41.43 H new ATOM 0 HA VAL A 8 1.693 -8.497 -3.858 1.00 15.30 H new ATOM 0 HB VAL A 8 -0.796 -8.877 -3.418 1.00 12.31 H new ATOM 0 HG11 VAL A 8 -1.162 -6.607 -2.478 1.00 42.32 H new ATOM 0 HG12 VAL A 8 0.485 -7.202 -2.160 1.00 42.32 H new ATOM 0 HG13 VAL A 8 0.206 -5.997 -3.440 1.00 42.32 H new ATOM 0 HG21 VAL A 8 -2.407 -7.330 -4.518 1.00 51.13 H new ATOM 0 HG22 VAL A 8 -1.111 -6.763 -5.599 1.00 51.13 H new ATOM 0 HG23 VAL A 8 -1.665 -8.453 -5.682 1.00 51.13 H new ATOM 136 N SER A 9 1.165 -10.834 -4.647 1.00 60.44 N ATOM 137 CA SER A 9 1.097 -12.219 -5.134 1.00 22.43 C ATOM 138 C SER A 9 -0.186 -12.928 -4.649 1.00 52.04 C ATOM 139 O SER A 9 -0.702 -13.818 -5.339 1.00 63.12 O ATOM 140 CB SER A 9 2.373 -12.962 -4.672 1.00 44.03 C ATOM 141 OG SER A 9 2.632 -12.752 -3.286 1.00 1.50 O ATOM 0 H SER A 9 1.542 -10.758 -3.702 1.00 60.44 H new ATOM 0 HA SER A 9 1.051 -12.222 -6.223 1.00 22.43 H new ATOM 0 HB2 SER A 9 2.262 -14.029 -4.864 1.00 44.03 H new ATOM 0 HB3 SER A 9 3.226 -12.619 -5.258 1.00 44.03 H new ATOM 0 HG SER A 9 1.994 -13.270 -2.752 1.00 1.50 H new ATOM 147 N ASP A 10 -0.716 -12.513 -3.474 1.00 33.53 N ATOM 148 CA ASP A 10 -1.887 -13.171 -2.825 1.00 64.53 C ATOM 149 C ASP A 10 -3.103 -12.225 -2.764 1.00 12.11 C ATOM 150 O ASP A 10 -2.947 -10.999 -2.828 1.00 21.53 O ATOM 151 CB ASP A 10 -1.529 -13.627 -1.384 1.00 54.51 C ATOM 152 CG ASP A 10 -0.391 -14.651 -1.327 1.00 15.32 C ATOM 153 OD1 ASP A 10 0.793 -14.251 -1.377 1.00 51.13 O ATOM 154 OD2 ASP A 10 -0.668 -15.869 -1.244 1.00 33.24 O ATOM 0 H ASP A 10 -0.351 -11.719 -2.948 1.00 33.53 H new ATOM 0 HA ASP A 10 -2.146 -14.039 -3.432 1.00 64.53 H new ATOM 0 HB2 ASP A 10 -1.250 -12.753 -0.795 1.00 54.51 H new ATOM 0 HB3 ASP A 10 -2.416 -14.056 -0.917 1.00 54.51 H new ATOM 159 N ASP A 11 -4.312 -12.828 -2.625 1.00 42.21 N ATOM 160 CA ASP A 11 -5.592 -12.094 -2.464 1.00 10.35 C ATOM 161 C ASP A 11 -5.669 -11.448 -1.076 1.00 34.43 C ATOM 162 O ASP A 11 -5.806 -10.228 -0.961 1.00 51.31 O ATOM 163 CB ASP A 11 -6.826 -13.037 -2.657 1.00 5.55 C ATOM 164 CG ASP A 11 -7.065 -13.467 -4.113 1.00 5.14 C ATOM 165 OD1 ASP A 11 -6.363 -14.379 -4.599 1.00 52.14 O ATOM 166 OD2 ASP A 11 -7.957 -12.895 -4.778 1.00 35.11 O ATOM 0 H ASP A 11 -4.425 -13.842 -2.622 1.00 42.21 H new ATOM 0 HA ASP A 11 -5.619 -11.322 -3.233 1.00 10.35 H new ATOM 0 HB2 ASP A 11 -6.688 -13.928 -2.044 1.00 5.55 H new ATOM 0 HB3 ASP A 11 -7.718 -12.531 -2.288 1.00 5.55 H new ATOM 171 N GLU A 12 -5.571 -12.308 -0.030 1.00 4.00 N ATOM 172 CA GLU A 12 -5.636 -11.895 1.390 1.00 24.20 C ATOM 173 C GLU A 12 -4.605 -10.799 1.693 1.00 40.44 C ATOM 174 O GLU A 12 -4.917 -9.811 2.346 1.00 34.21 O ATOM 175 CB GLU A 12 -5.420 -13.117 2.329 1.00 54.13 C ATOM 176 CG GLU A 12 -5.495 -12.785 3.841 1.00 63.21 C ATOM 177 CD GLU A 12 -5.424 -14.023 4.748 1.00 23.20 C ATOM 178 OE1 GLU A 12 -6.392 -14.817 4.747 1.00 13.31 O ATOM 179 OE2 GLU A 12 -4.404 -14.223 5.453 1.00 55.14 O ATOM 0 H GLU A 12 -5.444 -13.313 -0.152 1.00 4.00 H new ATOM 0 HA GLU A 12 -6.630 -11.488 1.574 1.00 24.20 H new ATOM 0 HB2 GLU A 12 -6.170 -13.874 2.098 1.00 54.13 H new ATOM 0 HB3 GLU A 12 -4.446 -13.557 2.114 1.00 54.13 H new ATOM 0 HG2 GLU A 12 -4.678 -12.110 4.097 1.00 63.21 H new ATOM 0 HG3 GLU A 12 -6.424 -12.251 4.041 1.00 63.21 H new ATOM 186 N GLU A 13 -3.397 -10.980 1.127 1.00 75.23 N ATOM 187 CA GLU A 13 -2.257 -10.064 1.277 1.00 31.11 C ATOM 188 C GLU A 13 -2.622 -8.655 0.784 1.00 11.43 C ATOM 189 O GLU A 13 -2.405 -7.667 1.491 1.00 73.23 O ATOM 190 CB GLU A 13 -1.069 -10.649 0.481 1.00 52.32 C ATOM 191 CG GLU A 13 0.221 -9.820 0.462 1.00 51.51 C ATOM 192 CD GLU A 13 1.305 -10.451 -0.426 1.00 10.14 C ATOM 193 OE1 GLU A 13 1.196 -10.360 -1.670 1.00 73.52 O ATOM 194 OE2 GLU A 13 2.281 -11.027 0.104 1.00 74.22 O ATOM 0 H GLU A 13 -3.185 -11.786 0.540 1.00 75.23 H new ATOM 0 HA GLU A 13 -1.984 -9.969 2.328 1.00 31.11 H new ATOM 0 HB2 GLU A 13 -0.836 -11.632 0.890 1.00 52.32 H new ATOM 0 HB3 GLU A 13 -1.391 -10.801 -0.549 1.00 52.32 H new ATOM 0 HG2 GLU A 13 -0.001 -8.815 0.103 1.00 51.51 H new ATOM 0 HG3 GLU A 13 0.601 -9.719 1.479 1.00 51.51 H new ATOM 201 N ALA A 14 -3.227 -8.605 -0.415 1.00 51.34 N ATOM 202 CA ALA A 14 -3.681 -7.362 -1.060 1.00 35.03 C ATOM 203 C ALA A 14 -4.746 -6.642 -0.210 1.00 15.31 C ATOM 204 O ALA A 14 -4.650 -5.428 0.022 1.00 2.14 O ATOM 205 CB ALA A 14 -4.235 -7.689 -2.452 1.00 23.51 C ATOM 0 H ALA A 14 -3.417 -9.439 -0.971 1.00 51.34 H new ATOM 0 HA ALA A 14 -2.830 -6.687 -1.154 1.00 35.03 H new ATOM 0 HB1 ALA A 14 -4.573 -6.772 -2.934 1.00 23.51 H new ATOM 0 HB2 ALA A 14 -3.453 -8.150 -3.056 1.00 23.51 H new ATOM 0 HB3 ALA A 14 -5.074 -8.379 -2.357 1.00 23.51 H new ATOM 211 N GLU A 15 -5.778 -7.409 0.209 1.00 20.13 N ATOM 212 CA GLU A 15 -6.878 -6.918 1.069 1.00 32.30 C ATOM 213 C GLU A 15 -6.350 -6.365 2.407 1.00 40.10 C ATOM 214 O GLU A 15 -6.863 -5.363 2.911 1.00 32.22 O ATOM 215 CB GLU A 15 -7.910 -8.056 1.314 1.00 22.12 C ATOM 216 CG GLU A 15 -8.491 -8.648 0.012 1.00 11.13 C ATOM 217 CD GLU A 15 -9.610 -9.667 0.241 1.00 1.33 C ATOM 218 OE1 GLU A 15 -9.313 -10.819 0.608 1.00 43.10 O ATOM 219 OE2 GLU A 15 -10.802 -9.314 0.053 1.00 51.01 O ATOM 0 H GLU A 15 -5.871 -8.393 -0.042 1.00 20.13 H new ATOM 0 HA GLU A 15 -7.371 -6.096 0.550 1.00 32.30 H new ATOM 0 HB2 GLU A 15 -7.433 -8.852 1.885 1.00 22.12 H new ATOM 0 HB3 GLU A 15 -8.726 -7.671 1.925 1.00 22.12 H new ATOM 0 HG2 GLU A 15 -8.873 -7.836 -0.606 1.00 11.13 H new ATOM 0 HG3 GLU A 15 -7.687 -9.125 -0.549 1.00 11.13 H new ATOM 226 N LYS A 16 -5.304 -7.021 2.948 1.00 13.32 N ATOM 227 CA LYS A 16 -4.642 -6.602 4.196 1.00 45.31 C ATOM 228 C LYS A 16 -3.875 -5.283 3.994 1.00 33.33 C ATOM 229 O LYS A 16 -3.799 -4.490 4.920 1.00 63.13 O ATOM 230 CB LYS A 16 -3.694 -7.707 4.743 1.00 52.53 C ATOM 231 CG LYS A 16 -4.420 -8.964 5.284 1.00 11.43 C ATOM 232 CD LYS A 16 -3.440 -10.064 5.741 1.00 24.43 C ATOM 233 CE LYS A 16 -2.541 -9.635 6.917 1.00 3.44 C ATOM 234 NZ LYS A 16 -3.316 -9.382 8.159 1.00 40.42 N ATOM 0 H LYS A 16 -4.895 -7.857 2.530 1.00 13.32 H new ATOM 0 HA LYS A 16 -5.423 -6.439 4.939 1.00 45.31 H new ATOM 0 HB2 LYS A 16 -3.013 -8.010 3.948 1.00 52.53 H new ATOM 0 HB3 LYS A 16 -3.084 -7.283 5.541 1.00 52.53 H new ATOM 0 HG2 LYS A 16 -5.057 -8.679 6.121 1.00 11.43 H new ATOM 0 HG3 LYS A 16 -5.073 -9.364 4.508 1.00 11.43 H new ATOM 0 HD2 LYS A 16 -4.008 -10.948 6.031 1.00 24.43 H new ATOM 0 HD3 LYS A 16 -2.811 -10.352 4.899 1.00 24.43 H new ATOM 0 HE2 LYS A 16 -1.800 -10.411 7.106 1.00 3.44 H new ATOM 0 HE3 LYS A 16 -1.995 -8.733 6.643 1.00 3.44 H new ATOM 0 HZ1 LYS A 16 -2.663 -9.146 8.933 1.00 40.42 H new ATOM 0 HZ2 LYS A 16 -3.971 -8.589 8.004 1.00 40.42 H new ATOM 0 HZ3 LYS A 16 -3.857 -10.234 8.410 1.00 40.42 H new ATOM 248 N ILE A 17 -3.320 -5.057 2.778 1.00 13.41 N ATOM 249 CA ILE A 17 -2.658 -3.773 2.426 1.00 23.24 C ATOM 250 C ILE A 17 -3.679 -2.616 2.507 1.00 71.53 C ATOM 251 O ILE A 17 -3.419 -1.583 3.134 1.00 61.32 O ATOM 252 CB ILE A 17 -1.989 -3.816 0.990 1.00 14.31 C ATOM 253 CG1 ILE A 17 -0.914 -4.950 0.909 1.00 34.51 C ATOM 254 CG2 ILE A 17 -1.383 -2.447 0.585 1.00 32.34 C ATOM 255 CD1 ILE A 17 0.114 -4.934 2.026 1.00 41.14 C ATOM 0 H ILE A 17 -3.317 -5.745 2.025 1.00 13.41 H new ATOM 0 HA ILE A 17 -1.858 -3.607 3.148 1.00 23.24 H new ATOM 0 HB ILE A 17 -2.780 -4.039 0.274 1.00 14.31 H new ATOM 0 HG12 ILE A 17 -1.422 -5.914 0.916 1.00 34.51 H new ATOM 0 HG13 ILE A 17 -0.394 -4.871 -0.046 1.00 34.51 H new ATOM 0 HG21 ILE A 17 -0.936 -2.526 -0.406 1.00 32.34 H new ATOM 0 HG22 ILE A 17 -2.169 -1.692 0.570 1.00 32.34 H new ATOM 0 HG23 ILE A 17 -0.618 -2.160 1.306 1.00 32.34 H new ATOM 0 HD11 ILE A 17 0.816 -5.756 1.886 1.00 41.14 H new ATOM 0 HD12 ILE A 17 0.654 -3.988 2.010 1.00 41.14 H new ATOM 0 HD13 ILE A 17 -0.390 -5.047 2.986 1.00 41.14 H new ATOM 267 N ILE A 18 -4.865 -2.846 1.904 1.00 24.21 N ATOM 268 CA ILE A 18 -5.991 -1.896 1.897 1.00 3.42 C ATOM 269 C ILE A 18 -6.405 -1.505 3.339 1.00 51.55 C ATOM 270 O ILE A 18 -6.411 -0.316 3.678 1.00 13.22 O ATOM 271 CB ILE A 18 -7.217 -2.503 1.107 1.00 20.24 C ATOM 272 CG1 ILE A 18 -6.807 -2.836 -0.374 1.00 33.12 C ATOM 273 CG2 ILE A 18 -8.435 -1.553 1.149 1.00 24.41 C ATOM 274 CD1 ILE A 18 -7.874 -3.541 -1.201 1.00 42.14 C ATOM 0 H ILE A 18 -5.067 -3.711 1.402 1.00 24.21 H new ATOM 0 HA ILE A 18 -5.665 -0.988 1.389 1.00 3.42 H new ATOM 0 HB ILE A 18 -7.510 -3.432 1.596 1.00 20.24 H new ATOM 0 HG12 ILE A 18 -6.536 -1.907 -0.876 1.00 33.12 H new ATOM 0 HG13 ILE A 18 -5.914 -3.460 -0.355 1.00 33.12 H new ATOM 0 HG21 ILE A 18 -9.263 -1.998 0.597 1.00 24.41 H new ATOM 0 HG22 ILE A 18 -8.735 -1.391 2.184 1.00 24.41 H new ATOM 0 HG23 ILE A 18 -8.168 -0.599 0.695 1.00 24.41 H new ATOM 0 HD11 ILE A 18 -7.493 -3.726 -2.205 1.00 42.14 H new ATOM 0 HD12 ILE A 18 -8.131 -4.490 -0.730 1.00 42.14 H new ATOM 0 HD13 ILE A 18 -8.763 -2.913 -1.260 1.00 42.14 H new ATOM 286 N ARG A 19 -6.665 -2.533 4.187 1.00 10.00 N ATOM 287 CA ARG A 19 -7.063 -2.342 5.609 1.00 63.24 C ATOM 288 C ARG A 19 -5.981 -1.562 6.375 1.00 44.45 C ATOM 289 O ARG A 19 -6.278 -0.579 7.046 1.00 42.22 O ATOM 290 CB ARG A 19 -7.288 -3.701 6.332 1.00 44.15 C ATOM 291 CG ARG A 19 -8.294 -4.652 5.651 1.00 22.20 C ATOM 292 CD ARG A 19 -8.310 -6.050 6.312 1.00 11.40 C ATOM 293 NE ARG A 19 -8.861 -7.094 5.425 1.00 74.52 N ATOM 294 CZ ARG A 19 -8.543 -8.403 5.491 1.00 11.44 C ATOM 295 NH1 ARG A 19 -7.677 -8.857 6.401 1.00 42.41 N ATOM 296 NH2 ARG A 19 -9.088 -9.256 4.639 1.00 5.23 N ATOM 0 H ARG A 19 -6.606 -3.512 3.908 1.00 10.00 H new ATOM 0 HA ARG A 19 -7.998 -1.782 5.600 1.00 63.24 H new ATOM 0 HB2 ARG A 19 -6.329 -4.212 6.415 1.00 44.15 H new ATOM 0 HB3 ARG A 19 -7.632 -3.501 7.347 1.00 44.15 H new ATOM 0 HG2 ARG A 19 -9.292 -4.217 5.698 1.00 22.20 H new ATOM 0 HG3 ARG A 19 -8.040 -4.753 4.596 1.00 22.20 H new ATOM 0 HD2 ARG A 19 -7.295 -6.323 6.600 1.00 11.40 H new ATOM 0 HD3 ARG A 19 -8.901 -6.008 7.227 1.00 11.40 H new ATOM 0 HE ARG A 19 -9.530 -6.805 4.711 1.00 74.52 H new ATOM 0 HH11 ARG A 19 -7.244 -8.210 7.061 1.00 42.41 H new ATOM 0 HH12 ARG A 19 -7.448 -9.850 6.436 1.00 42.41 H new ATOM 0 HH21 ARG A 19 -9.747 -8.923 3.935 1.00 5.23 H new ATOM 0 HH22 ARG A 19 -8.850 -10.247 4.686 1.00 5.23 H new ATOM 310 N GLU A 20 -4.719 -2.006 6.178 1.00 32.01 N ATOM 311 CA GLU A 20 -3.531 -1.526 6.912 1.00 21.31 C ATOM 312 C GLU A 20 -3.381 -0.009 6.787 1.00 24.23 C ATOM 313 O GLU A 20 -3.167 0.698 7.778 1.00 52.12 O ATOM 314 CB GLU A 20 -2.261 -2.232 6.351 1.00 21.00 C ATOM 315 CG GLU A 20 -1.000 -2.107 7.224 1.00 32.14 C ATOM 316 CD GLU A 20 -1.150 -2.791 8.590 1.00 22.22 C ATOM 317 OE1 GLU A 20 -1.356 -4.025 8.627 1.00 11.41 O ATOM 318 OE2 GLU A 20 -1.067 -2.113 9.634 1.00 15.42 O ATOM 0 H GLU A 20 -4.496 -2.724 5.489 1.00 32.01 H new ATOM 0 HA GLU A 20 -3.654 -1.766 7.968 1.00 21.31 H new ATOM 0 HB2 GLU A 20 -2.484 -3.290 6.213 1.00 21.00 H new ATOM 0 HB3 GLU A 20 -2.043 -1.821 5.365 1.00 21.00 H new ATOM 0 HG2 GLU A 20 -0.153 -2.544 6.695 1.00 32.14 H new ATOM 0 HG3 GLU A 20 -0.771 -1.052 7.375 1.00 32.14 H new ATOM 325 N ILE A 21 -3.518 0.464 5.541 1.00 74.51 N ATOM 326 CA ILE A 21 -3.368 1.873 5.208 1.00 62.44 C ATOM 327 C ILE A 21 -4.616 2.670 5.645 1.00 33.40 C ATOM 328 O ILE A 21 -4.493 3.805 6.055 1.00 12.02 O ATOM 329 CB ILE A 21 -3.089 2.082 3.675 1.00 44.11 C ATOM 330 CG1 ILE A 21 -1.881 1.206 3.189 1.00 1.11 C ATOM 331 CG2 ILE A 21 -2.841 3.576 3.364 1.00 34.12 C ATOM 332 CD1 ILE A 21 -0.549 1.461 3.885 1.00 34.43 C ATOM 0 H ILE A 21 -3.736 -0.127 4.739 1.00 74.51 H new ATOM 0 HA ILE A 21 -2.503 2.249 5.754 1.00 62.44 H new ATOM 0 HB ILE A 21 -3.975 1.758 3.129 1.00 44.11 H new ATOM 0 HG12 ILE A 21 -2.143 0.156 3.321 1.00 1.11 H new ATOM 0 HG13 ILE A 21 -1.747 1.369 2.120 1.00 1.11 H new ATOM 0 HG21 ILE A 21 -2.650 3.699 2.298 1.00 34.12 H new ATOM 0 HG22 ILE A 21 -3.720 4.157 3.644 1.00 34.12 H new ATOM 0 HG23 ILE A 21 -1.978 3.927 3.930 1.00 34.12 H new ATOM 0 HD11 ILE A 21 0.211 0.800 3.469 1.00 34.43 H new ATOM 0 HD12 ILE A 21 -0.251 2.498 3.732 1.00 34.43 H new ATOM 0 HD13 ILE A 21 -0.653 1.267 4.953 1.00 34.43 H new ATOM 344 N ARG A 22 -5.812 2.050 5.573 1.00 52.35 N ATOM 345 CA ARG A 22 -7.079 2.725 5.953 1.00 3.32 C ATOM 346 C ARG A 22 -7.198 2.969 7.474 1.00 0.14 C ATOM 347 O ARG A 22 -7.794 3.970 7.890 1.00 44.51 O ATOM 348 CB ARG A 22 -8.307 1.922 5.452 1.00 72.11 C ATOM 349 CG ARG A 22 -8.563 2.026 3.934 1.00 42.04 C ATOM 350 CD ARG A 22 -8.950 3.450 3.483 1.00 63.35 C ATOM 351 NE ARG A 22 -9.203 3.503 2.034 1.00 24.22 N ATOM 352 CZ ARG A 22 -9.564 4.600 1.349 1.00 52.21 C ATOM 353 NH1 ARG A 22 -9.738 5.771 1.957 1.00 33.31 N ATOM 354 NH2 ARG A 22 -9.742 4.513 0.042 1.00 5.43 N ATOM 0 H ARG A 22 -5.931 1.087 5.257 1.00 52.35 H new ATOM 0 HA ARG A 22 -7.060 3.701 5.467 1.00 3.32 H new ATOM 0 HB2 ARG A 22 -8.171 0.873 5.714 1.00 72.11 H new ATOM 0 HB3 ARG A 22 -9.194 2.270 5.982 1.00 72.11 H new ATOM 0 HG2 ARG A 22 -7.667 1.712 3.398 1.00 42.04 H new ATOM 0 HG3 ARG A 22 -9.359 1.335 3.657 1.00 42.04 H new ATOM 0 HD2 ARG A 22 -9.840 3.775 4.022 1.00 63.35 H new ATOM 0 HD3 ARG A 22 -8.151 4.145 3.740 1.00 63.35 H new ATOM 0 HE ARG A 22 -9.095 2.636 1.507 1.00 24.22 H new ATOM 0 HH11 ARG A 22 -9.597 5.849 2.964 1.00 33.31 H new ATOM 0 HH12 ARG A 22 -10.012 6.591 1.416 1.00 33.31 H new ATOM 0 HH21 ARG A 22 -9.605 3.621 -0.433 1.00 5.43 H new ATOM 0 HH22 ARG A 22 -10.016 5.338 -0.491 1.00 5.43 H new ATOM 368 N GLU A 23 -6.634 2.060 8.289 1.00 74.11 N ATOM 369 CA GLU A 23 -6.729 2.138 9.770 1.00 3.40 C ATOM 370 C GLU A 23 -5.838 3.271 10.296 1.00 24.43 C ATOM 371 O GLU A 23 -6.241 4.044 11.173 1.00 14.33 O ATOM 372 CB GLU A 23 -6.308 0.792 10.418 1.00 52.23 C ATOM 373 CG GLU A 23 -7.219 -0.404 10.067 1.00 42.43 C ATOM 374 CD GLU A 23 -6.650 -1.744 10.557 1.00 31.52 C ATOM 375 OE1 GLU A 23 -5.657 -2.214 9.970 1.00 53.14 O ATOM 376 OE2 GLU A 23 -7.179 -2.316 11.541 1.00 55.32 O ATOM 0 H GLU A 23 -6.104 1.257 7.951 1.00 74.11 H new ATOM 0 HA GLU A 23 -7.766 2.343 10.037 1.00 3.40 H new ATOM 0 HB2 GLU A 23 -5.289 0.558 10.109 1.00 52.23 H new ATOM 0 HB3 GLU A 23 -6.293 0.914 11.501 1.00 52.23 H new ATOM 0 HG2 GLU A 23 -8.203 -0.248 10.509 1.00 42.43 H new ATOM 0 HG3 GLU A 23 -7.358 -0.446 8.987 1.00 42.43 H new ATOM 383 N GLN A 24 -4.616 3.346 9.741 1.00 2.33 N ATOM 384 CA GLN A 24 -3.618 4.357 10.127 1.00 74.41 C ATOM 385 C GLN A 24 -3.929 5.702 9.434 1.00 25.54 C ATOM 386 O GLN A 24 -3.938 6.753 10.079 1.00 61.04 O ATOM 387 CB GLN A 24 -2.193 3.853 9.774 1.00 54.32 C ATOM 388 CG GLN A 24 -1.844 2.464 10.358 1.00 63.12 C ATOM 389 CD GLN A 24 -0.456 1.950 9.958 1.00 54.10 C ATOM 390 OE1 GLN A 24 0.480 2.724 9.774 1.00 1.33 O ATOM 391 NE2 GLN A 24 -0.310 0.642 9.810 1.00 3.41 N ATOM 0 H GLN A 24 -4.293 2.708 9.013 1.00 2.33 H new ATOM 0 HA GLN A 24 -3.663 4.519 11.204 1.00 74.41 H new ATOM 0 HB2 GLN A 24 -2.093 3.813 8.689 1.00 54.32 H new ATOM 0 HB3 GLN A 24 -1.464 4.579 10.135 1.00 54.32 H new ATOM 0 HG2 GLN A 24 -1.902 2.513 11.445 1.00 63.12 H new ATOM 0 HG3 GLN A 24 -2.595 1.745 10.031 1.00 63.12 H new ATOM 0 HE21 GLN A 24 -1.102 0.019 9.968 1.00 3.41 H new ATOM 0 HE22 GLN A 24 0.595 0.257 9.538 1.00 3.41 H new ATOM 400 N TRP A 25 -4.160 5.652 8.106 1.00 45.12 N ATOM 401 CA TRP A 25 -4.537 6.834 7.281 1.00 62.32 C ATOM 402 C TRP A 25 -5.960 6.671 6.675 1.00 10.21 C ATOM 403 O TRP A 25 -6.109 6.071 5.600 1.00 51.30 O ATOM 404 CB TRP A 25 -3.504 7.049 6.135 1.00 50.21 C ATOM 405 CG TRP A 25 -2.072 7.131 6.594 1.00 50.32 C ATOM 406 CD1 TRP A 25 -1.395 8.246 7.003 1.00 71.24 C ATOM 407 CD2 TRP A 25 -1.143 6.040 6.685 1.00 12.11 C ATOM 408 NE1 TRP A 25 -0.120 7.906 7.368 1.00 42.54 N ATOM 409 CE2 TRP A 25 0.057 6.561 7.176 1.00 72.32 C ATOM 410 CE3 TRP A 25 -1.218 4.668 6.405 1.00 45.23 C ATOM 411 CZ2 TRP A 25 1.168 5.769 7.394 1.00 72.12 C ATOM 412 CZ3 TRP A 25 -0.109 3.879 6.622 1.00 5.35 C ATOM 413 CH2 TRP A 25 1.071 4.432 7.115 1.00 50.14 C ATOM 0 H TRP A 25 -4.092 4.789 7.567 1.00 45.12 H new ATOM 0 HA TRP A 25 -4.538 7.705 7.936 1.00 62.32 H new ATOM 0 HB2 TRP A 25 -3.597 6.231 5.420 1.00 50.21 H new ATOM 0 HB3 TRP A 25 -3.755 7.967 5.604 1.00 50.21 H new ATOM 0 HD1 TRP A 25 -1.804 9.245 7.034 1.00 71.24 H new ATOM 0 HE1 TRP A 25 0.585 8.551 7.726 1.00 42.54 H new ATOM 0 HE3 TRP A 25 -2.132 4.236 6.025 1.00 45.23 H new ATOM 0 HZ2 TRP A 25 2.086 6.192 7.773 1.00 72.12 H new ATOM 0 HZ3 TRP A 25 -0.155 2.821 6.408 1.00 5.35 H new ATOM 0 HH2 TRP A 25 1.926 3.793 7.280 1.00 50.14 H new ATOM 424 N PRO A 26 -7.037 7.169 7.364 1.00 3.04 N ATOM 425 CA PRO A 26 -8.404 7.230 6.775 1.00 41.51 C ATOM 426 C PRO A 26 -8.466 8.105 5.501 1.00 64.42 C ATOM 427 O PRO A 26 -9.113 7.745 4.511 1.00 41.13 O ATOM 428 CB PRO A 26 -9.271 7.845 7.915 1.00 4.11 C ATOM 429 CG PRO A 26 -8.486 7.606 9.177 1.00 10.04 C ATOM 430 CD PRO A 26 -7.025 7.655 8.769 1.00 21.13 C ATOM 0 HA PRO A 26 -8.747 6.248 6.451 1.00 41.51 H new ATOM 0 HB2 PRO A 26 -9.440 8.909 7.751 1.00 4.11 H new ATOM 0 HB3 PRO A 26 -10.251 7.371 7.965 1.00 4.11 H new ATOM 0 HG2 PRO A 26 -8.709 8.366 9.926 1.00 10.04 H new ATOM 0 HG3 PRO A 26 -8.737 6.641 9.617 1.00 10.04 H new ATOM 0 HD2 PRO A 26 -6.623 8.666 8.840 1.00 21.13 H new ATOM 0 HD3 PRO A 26 -6.409 7.021 9.407 1.00 21.13 H new ATOM 438 N LYS A 27 -7.758 9.243 5.539 1.00 72.02 N ATOM 439 CA LYS A 27 -7.785 10.276 4.481 1.00 62.42 C ATOM 440 C LYS A 27 -6.787 9.968 3.332 1.00 53.43 C ATOM 441 O LYS A 27 -6.347 10.882 2.620 1.00 13.24 O ATOM 442 CB LYS A 27 -7.490 11.660 5.125 1.00 41.01 C ATOM 443 CG LYS A 27 -8.431 12.045 6.300 1.00 55.54 C ATOM 444 CD LYS A 27 -9.905 12.281 5.880 1.00 30.21 C ATOM 445 CE LYS A 27 -10.144 13.617 5.136 1.00 53.45 C ATOM 446 NZ LYS A 27 -9.585 13.637 3.751 1.00 4.15 N ATOM 0 H LYS A 27 -7.140 9.480 6.315 1.00 72.02 H new ATOM 0 HA LYS A 27 -8.776 10.284 4.027 1.00 62.42 H new ATOM 0 HB2 LYS A 27 -6.461 11.666 5.485 1.00 41.01 H new ATOM 0 HB3 LYS A 27 -7.562 12.427 4.354 1.00 41.01 H new ATOM 0 HG2 LYS A 27 -8.400 11.254 7.050 1.00 55.54 H new ATOM 0 HG3 LYS A 27 -8.050 12.949 6.775 1.00 55.54 H new ATOM 0 HD2 LYS A 27 -10.225 11.459 5.240 1.00 30.21 H new ATOM 0 HD3 LYS A 27 -10.534 12.256 6.770 1.00 30.21 H new ATOM 0 HE2 LYS A 27 -11.216 13.811 5.089 1.00 53.45 H new ATOM 0 HE3 LYS A 27 -9.698 14.429 5.711 1.00 53.45 H new ATOM 0 HZ1 LYS A 27 -10.250 14.122 3.115 1.00 4.15 H new ATOM 0 HZ2 LYS A 27 -8.675 14.141 3.751 1.00 4.15 H new ATOM 0 HZ3 LYS A 27 -9.440 12.661 3.421 1.00 4.15 H new ATOM 460 N ALA A 28 -6.476 8.676 3.126 1.00 14.54 N ATOM 461 CA ALA A 28 -5.505 8.230 2.104 1.00 75.43 C ATOM 462 C ALA A 28 -6.290 7.544 0.988 1.00 55.32 C ATOM 463 O ALA A 28 -7.059 6.622 1.290 1.00 41.40 O ATOM 464 CB ALA A 28 -4.474 7.261 2.704 1.00 21.00 C ATOM 0 H ALA A 28 -6.888 7.911 3.660 1.00 14.54 H new ATOM 0 HA ALA A 28 -4.954 9.087 1.717 1.00 75.43 H new ATOM 0 HB1 ALA A 28 -3.773 6.950 1.929 1.00 21.00 H new ATOM 0 HB2 ALA A 28 -3.930 7.759 3.506 1.00 21.00 H new ATOM 0 HB3 ALA A 28 -4.986 6.385 3.102 1.00 21.00 H new ATOM 470 N THR A 29 -6.141 7.962 -0.290 1.00 13.03 N ATOM 471 CA THR A 29 -6.810 7.272 -1.395 1.00 1.13 C ATOM 472 C THR A 29 -6.163 5.889 -1.609 1.00 4.44 C ATOM 473 O THR A 29 -5.052 5.776 -2.135 1.00 60.24 O ATOM 474 CB THR A 29 -6.749 8.102 -2.724 1.00 4.22 C ATOM 475 OG1 THR A 29 -7.259 9.425 -2.493 1.00 20.13 O ATOM 476 CG2 THR A 29 -7.554 7.437 -3.870 1.00 50.43 C ATOM 0 H THR A 29 -5.572 8.761 -0.570 1.00 13.03 H new ATOM 0 HA THR A 29 -7.860 7.153 -1.129 1.00 1.13 H new ATOM 0 HB THR A 29 -5.704 8.145 -3.032 1.00 4.22 H new ATOM 0 HG1 THR A 29 -7.218 9.941 -3.325 1.00 20.13 H new ATOM 0 HG21 THR A 29 -7.481 8.049 -4.769 1.00 50.43 H new ATOM 0 HG22 THR A 29 -7.148 6.446 -4.072 1.00 50.43 H new ATOM 0 HG23 THR A 29 -8.600 7.348 -3.576 1.00 50.43 H new ATOM 484 N VAL A 30 -6.858 4.850 -1.132 1.00 12.21 N ATOM 485 CA VAL A 30 -6.520 3.451 -1.418 1.00 12.33 C ATOM 486 C VAL A 30 -7.516 2.933 -2.463 1.00 12.23 C ATOM 487 O VAL A 30 -8.712 3.234 -2.387 1.00 1.52 O ATOM 488 CB VAL A 30 -6.565 2.537 -0.134 1.00 62.02 C ATOM 489 CG1 VAL A 30 -5.986 1.130 -0.429 1.00 53.23 C ATOM 490 CG2 VAL A 30 -5.834 3.198 1.059 1.00 74.04 C ATOM 0 H VAL A 30 -7.676 4.957 -0.533 1.00 12.21 H new ATOM 0 HA VAL A 30 -5.495 3.410 -1.788 1.00 12.33 H new ATOM 0 HB VAL A 30 -7.612 2.419 0.146 1.00 62.02 H new ATOM 0 HG11 VAL A 30 -6.030 0.522 0.474 1.00 53.23 H new ATOM 0 HG12 VAL A 30 -6.571 0.654 -1.216 1.00 53.23 H new ATOM 0 HG13 VAL A 30 -4.950 1.224 -0.753 1.00 53.23 H new ATOM 0 HG21 VAL A 30 -5.885 2.540 1.927 1.00 74.04 H new ATOM 0 HG22 VAL A 30 -4.791 3.371 0.796 1.00 74.04 H new ATOM 0 HG23 VAL A 30 -6.311 4.149 1.296 1.00 74.04 H new ATOM 500 N THR A 31 -7.011 2.193 -3.440 1.00 74.32 N ATOM 501 CA THR A 31 -7.803 1.646 -4.543 1.00 2.24 C ATOM 502 C THR A 31 -7.572 0.131 -4.617 1.00 4.25 C ATOM 503 O THR A 31 -6.427 -0.321 -4.463 1.00 40.11 O ATOM 504 CB THR A 31 -7.362 2.331 -5.878 1.00 50.50 C ATOM 505 OG1 THR A 31 -7.464 3.761 -5.758 1.00 30.22 O ATOM 506 CG2 THR A 31 -8.165 1.847 -7.100 1.00 40.11 C ATOM 0 H THR A 31 -6.022 1.949 -3.493 1.00 74.32 H new ATOM 0 HA THR A 31 -8.864 1.838 -4.381 1.00 2.24 H new ATOM 0 HB THR A 31 -6.324 2.044 -6.048 1.00 50.50 H new ATOM 0 HG1 THR A 31 -7.184 4.181 -6.598 1.00 30.22 H new ATOM 0 HG21 THR A 31 -7.811 2.360 -7.994 1.00 40.11 H new ATOM 0 HG22 THR A 31 -8.031 0.772 -7.221 1.00 40.11 H new ATOM 0 HG23 THR A 31 -9.222 2.066 -6.951 1.00 40.11 H new ATOM 514 N ARG A 32 -8.639 -0.667 -4.832 1.00 25.35 N ATOM 515 CA ARG A 32 -8.491 -2.097 -5.112 1.00 34.34 C ATOM 516 C ARG A 32 -8.207 -2.254 -6.606 1.00 31.43 C ATOM 517 O ARG A 32 -9.046 -1.905 -7.446 1.00 33.51 O ATOM 518 CB ARG A 32 -9.754 -2.906 -4.707 1.00 52.41 C ATOM 519 CG ARG A 32 -9.736 -4.376 -5.204 1.00 10.34 C ATOM 520 CD ARG A 32 -10.907 -5.215 -4.684 1.00 31.32 C ATOM 521 NE ARG A 32 -10.854 -5.400 -3.223 1.00 62.21 N ATOM 522 CZ ARG A 32 -10.733 -6.576 -2.589 1.00 74.35 C ATOM 523 NH1 ARG A 32 -10.649 -7.720 -3.267 1.00 63.04 N ATOM 524 NH2 ARG A 32 -10.712 -6.598 -1.269 1.00 25.43 N ATOM 0 H ARG A 32 -9.605 -0.340 -4.816 1.00 25.35 H new ATOM 0 HA ARG A 32 -7.668 -2.496 -4.518 1.00 34.34 H new ATOM 0 HB2 ARG A 32 -9.847 -2.900 -3.621 1.00 52.41 H new ATOM 0 HB3 ARG A 32 -10.638 -2.407 -5.105 1.00 52.41 H new ATOM 0 HG2 ARG A 32 -9.752 -4.382 -6.294 1.00 10.34 H new ATOM 0 HG3 ARG A 32 -8.801 -4.843 -4.896 1.00 10.34 H new ATOM 0 HD2 ARG A 32 -11.846 -4.731 -4.953 1.00 31.32 H new ATOM 0 HD3 ARG A 32 -10.899 -6.189 -5.172 1.00 31.32 H new ATOM 0 HE ARG A 32 -10.914 -4.562 -2.644 1.00 62.21 H new ATOM 0 HH11 ARG A 32 -10.676 -7.712 -4.287 1.00 63.04 H new ATOM 0 HH12 ARG A 32 -10.557 -8.604 -2.766 1.00 63.04 H new ATOM 0 HH21 ARG A 32 -10.787 -5.727 -0.743 1.00 25.43 H new ATOM 0 HH22 ARG A 32 -10.620 -7.486 -0.775 1.00 25.43 H new ATOM 538 N THR A 33 -7.009 -2.737 -6.923 1.00 70.23 N ATOM 539 CA THR A 33 -6.551 -2.986 -8.290 1.00 3.31 C ATOM 540 C THR A 33 -5.812 -4.338 -8.277 1.00 2.02 C ATOM 541 O THR A 33 -4.903 -4.542 -7.465 1.00 31.33 O ATOM 542 CB THR A 33 -5.658 -1.801 -8.824 1.00 14.21 C ATOM 543 OG1 THR A 33 -5.020 -1.131 -7.718 1.00 4.55 O ATOM 544 CG2 THR A 33 -6.448 -0.767 -9.639 1.00 33.23 C ATOM 0 H THR A 33 -6.310 -2.973 -6.219 1.00 70.23 H new ATOM 0 HA THR A 33 -7.391 -3.037 -8.983 1.00 3.31 H new ATOM 0 HB THR A 33 -4.919 -2.248 -9.489 1.00 14.21 H new ATOM 0 HG1 THR A 33 -4.103 -1.462 -7.620 1.00 4.55 H new ATOM 0 HG21 THR A 33 -5.775 0.021 -9.977 1.00 33.23 H new ATOM 0 HG22 THR A 33 -6.900 -1.253 -10.504 1.00 33.23 H new ATOM 0 HG23 THR A 33 -7.231 -0.334 -9.016 1.00 33.23 H new ATOM 552 N ASN A 34 -6.245 -5.270 -9.134 1.00 72.32 N ATOM 553 CA ASN A 34 -5.739 -6.653 -9.137 1.00 1.40 C ATOM 554 C ASN A 34 -4.338 -6.717 -9.779 1.00 53.55 C ATOM 555 O ASN A 34 -4.187 -6.433 -10.968 1.00 52.23 O ATOM 556 CB ASN A 34 -6.729 -7.586 -9.869 1.00 55.00 C ATOM 557 CG ASN A 34 -8.101 -7.652 -9.184 1.00 21.40 C ATOM 558 OD1 ASN A 34 -8.320 -8.461 -8.281 1.00 0.30 O ATOM 559 ND2 ASN A 34 -9.027 -6.798 -9.600 1.00 44.54 N ATOM 0 H ASN A 34 -6.954 -5.090 -9.845 1.00 72.32 H new ATOM 0 HA ASN A 34 -5.651 -6.994 -8.106 1.00 1.40 H new ATOM 0 HB2 ASN A 34 -6.856 -7.240 -10.895 1.00 55.00 H new ATOM 0 HB3 ASN A 34 -6.305 -8.589 -9.921 1.00 55.00 H new ATOM 0 HD21 ASN A 34 -9.952 -6.799 -9.170 1.00 44.54 H new ATOM 0 HD22 ASN A 34 -8.814 -6.140 -10.350 1.00 44.54 H new ATOM 566 N GLY A 35 -3.319 -7.035 -8.959 1.00 55.21 N ATOM 567 CA GLY A 35 -1.922 -7.167 -9.412 1.00 25.40 C ATOM 568 C GLY A 35 -1.040 -6.082 -8.817 1.00 52.24 C ATOM 569 O GLY A 35 -0.081 -6.374 -8.101 1.00 24.25 O ATOM 0 H GLY A 35 -3.442 -7.208 -7.961 1.00 55.21 H new ATOM 0 HA2 GLY A 35 -1.537 -8.147 -9.128 1.00 25.40 H new ATOM 0 HA3 GLY A 35 -1.884 -7.112 -10.500 1.00 25.40 H new ATOM 573 N ASP A 36 -1.366 -4.826 -9.139 1.00 53.55 N ATOM 574 CA ASP A 36 -0.734 -3.631 -8.542 1.00 2.13 C ATOM 575 C ASP A 36 -1.772 -2.976 -7.649 1.00 11.22 C ATOM 576 O ASP A 36 -2.853 -2.719 -8.122 1.00 20.21 O ATOM 577 CB ASP A 36 -0.309 -2.603 -9.632 1.00 11.03 C ATOM 578 CG ASP A 36 0.869 -3.075 -10.495 1.00 64.24 C ATOM 579 OD1 ASP A 36 2.036 -2.837 -10.111 1.00 74.21 O ATOM 580 OD2 ASP A 36 0.642 -3.668 -11.573 1.00 5.32 O ATOM 0 H ASP A 36 -2.083 -4.601 -9.828 1.00 53.55 H new ATOM 0 HA ASP A 36 0.158 -3.932 -7.993 1.00 2.13 H new ATOM 0 HB2 ASP A 36 -1.162 -2.397 -10.278 1.00 11.03 H new ATOM 0 HB3 ASP A 36 -0.041 -1.663 -9.149 1.00 11.03 H new ATOM 585 N ILE A 37 -1.443 -2.698 -6.392 1.00 63.44 N ATOM 586 CA ILE A 37 -2.350 -2.007 -5.448 1.00 63.54 C ATOM 587 C ILE A 37 -2.048 -0.508 -5.509 1.00 74.50 C ATOM 588 O ILE A 37 -0.948 -0.077 -5.157 1.00 10.35 O ATOM 589 CB ILE A 37 -2.180 -2.543 -3.965 1.00 74.32 C ATOM 590 CG1 ILE A 37 -2.585 -4.050 -3.874 1.00 1.44 C ATOM 591 CG2 ILE A 37 -2.975 -1.687 -2.933 1.00 14.21 C ATOM 592 CD1 ILE A 37 -4.039 -4.333 -4.214 1.00 21.13 C ATOM 0 H ILE A 37 -0.539 -2.941 -5.986 1.00 63.44 H new ATOM 0 HA ILE A 37 -3.382 -2.204 -5.738 1.00 63.54 H new ATOM 0 HB ILE A 37 -1.125 -2.450 -3.706 1.00 74.32 H new ATOM 0 HG12 ILE A 37 -1.949 -4.625 -4.547 1.00 1.44 H new ATOM 0 HG13 ILE A 37 -2.385 -4.407 -2.864 1.00 1.44 H new ATOM 0 HG21 ILE A 37 -2.827 -2.093 -1.932 1.00 14.21 H new ATOM 0 HG22 ILE A 37 -2.619 -0.657 -2.963 1.00 14.21 H new ATOM 0 HG23 ILE A 37 -4.036 -1.711 -3.181 1.00 14.21 H new ATOM 0 HD11 ILE A 37 -4.232 -5.402 -4.125 1.00 21.13 H new ATOM 0 HD12 ILE A 37 -4.686 -3.789 -3.526 1.00 21.13 H new ATOM 0 HD13 ILE A 37 -4.243 -4.011 -5.235 1.00 21.13 H new ATOM 604 N LYS A 38 -3.042 0.271 -5.968 1.00 35.00 N ATOM 605 CA LYS A 38 -2.906 1.714 -6.183 1.00 41.21 C ATOM 606 C LYS A 38 -3.156 2.448 -4.868 1.00 73.13 C ATOM 607 O LYS A 38 -4.257 2.412 -4.314 1.00 15.23 O ATOM 608 CB LYS A 38 -3.888 2.200 -7.288 1.00 10.13 C ATOM 609 CG LYS A 38 -3.406 1.940 -8.730 1.00 4.34 C ATOM 610 CD LYS A 38 -2.171 2.813 -9.092 1.00 32.22 C ATOM 611 CE LYS A 38 -1.758 2.677 -10.561 1.00 11.21 C ATOM 612 NZ LYS A 38 -0.640 3.594 -10.910 1.00 34.14 N ATOM 0 H LYS A 38 -3.967 -0.089 -6.201 1.00 35.00 H new ATOM 0 HA LYS A 38 -1.894 1.933 -6.523 1.00 41.21 H new ATOM 0 HB2 LYS A 38 -4.849 1.706 -7.145 1.00 10.13 H new ATOM 0 HB3 LYS A 38 -4.057 3.269 -7.162 1.00 10.13 H new ATOM 0 HG2 LYS A 38 -3.152 0.886 -8.844 1.00 4.34 H new ATOM 0 HG3 LYS A 38 -4.217 2.150 -9.428 1.00 4.34 H new ATOM 0 HD2 LYS A 38 -2.395 3.858 -8.878 1.00 32.22 H new ATOM 0 HD3 LYS A 38 -1.332 2.530 -8.456 1.00 32.22 H new ATOM 0 HE2 LYS A 38 -1.459 1.648 -10.760 1.00 11.21 H new ATOM 0 HE3 LYS A 38 -2.615 2.890 -11.200 1.00 11.21 H new ATOM 0 HZ1 LYS A 38 -0.147 3.236 -11.753 1.00 34.14 H new ATOM 0 HZ2 LYS A 38 -1.018 4.543 -11.107 1.00 34.14 H new ATOM 0 HZ3 LYS A 38 0.028 3.646 -10.114 1.00 34.14 H new ATOM 626 N LEU A 39 -2.091 3.065 -4.370 1.00 53.03 N ATOM 627 CA LEU A 39 -2.080 3.842 -3.141 1.00 22.15 C ATOM 628 C LEU A 39 -1.524 5.241 -3.453 1.00 34.24 C ATOM 629 O LEU A 39 -0.557 5.381 -4.202 1.00 74.21 O ATOM 630 CB LEU A 39 -1.223 3.118 -2.064 1.00 32.33 C ATOM 631 CG LEU A 39 -1.005 3.879 -0.717 1.00 62.24 C ATOM 632 CD1 LEU A 39 -2.344 4.330 -0.099 1.00 10.44 C ATOM 633 CD2 LEU A 39 -0.196 3.011 0.265 1.00 53.04 C ATOM 0 H LEU A 39 -1.180 3.036 -4.829 1.00 53.03 H new ATOM 0 HA LEU A 39 -3.090 3.942 -2.744 1.00 22.15 H new ATOM 0 HB2 LEU A 39 -1.693 2.160 -1.842 1.00 32.33 H new ATOM 0 HB3 LEU A 39 -0.246 2.901 -2.495 1.00 32.33 H new ATOM 0 HG LEU A 39 -0.431 4.781 -0.927 1.00 62.24 H new ATOM 0 HD11 LEU A 39 -2.154 4.856 0.837 1.00 10.44 H new ATOM 0 HD12 LEU A 39 -2.858 4.996 -0.792 1.00 10.44 H new ATOM 0 HD13 LEU A 39 -2.967 3.457 0.095 1.00 10.44 H new ATOM 0 HD21 LEU A 39 -0.053 3.555 1.198 1.00 53.04 H new ATOM 0 HD22 LEU A 39 -0.737 2.086 0.464 1.00 53.04 H new ATOM 0 HD23 LEU A 39 0.775 2.777 -0.171 1.00 53.04 H new ATOM 645 N ASP A 40 -2.163 6.263 -2.887 1.00 14.22 N ATOM 646 CA ASP A 40 -1.767 7.664 -3.046 1.00 1.41 C ATOM 647 C ASP A 40 -1.178 8.164 -1.719 1.00 10.42 C ATOM 648 O ASP A 40 -1.831 8.079 -0.674 1.00 40.43 O ATOM 649 CB ASP A 40 -3.002 8.497 -3.477 1.00 72.52 C ATOM 650 CG ASP A 40 -2.768 10.020 -3.514 1.00 25.43 C ATOM 651 OD1 ASP A 40 -1.729 10.470 -4.049 1.00 71.43 O ATOM 652 OD2 ASP A 40 -3.647 10.778 -3.043 1.00 52.02 O ATOM 0 H ASP A 40 -2.984 6.140 -2.295 1.00 14.22 H new ATOM 0 HA ASP A 40 -1.006 7.768 -3.820 1.00 1.41 H new ATOM 0 HB2 ASP A 40 -3.319 8.167 -4.466 1.00 72.52 H new ATOM 0 HB3 ASP A 40 -3.823 8.285 -2.792 1.00 72.52 H new ATOM 657 N ALA A 41 0.084 8.604 -1.765 1.00 40.34 N ATOM 658 CA ALA A 41 0.756 9.258 -0.630 1.00 51.51 C ATOM 659 C ALA A 41 0.724 10.781 -0.797 1.00 55.24 C ATOM 660 O ALA A 41 0.904 11.293 -1.914 1.00 3.25 O ATOM 661 CB ALA A 41 2.188 8.743 -0.492 1.00 32.23 C ATOM 0 H ALA A 41 0.673 8.517 -2.593 1.00 40.34 H new ATOM 0 HA ALA A 41 0.222 9.011 0.287 1.00 51.51 H new ATOM 0 HB1 ALA A 41 2.672 9.236 0.351 1.00 32.23 H new ATOM 0 HB2 ALA A 41 2.173 7.666 -0.323 1.00 32.23 H new ATOM 0 HB3 ALA A 41 2.742 8.959 -1.405 1.00 32.23 H new ATOM 667 N GLN A 42 0.476 11.486 0.325 1.00 41.12 N ATOM 668 CA GLN A 42 0.356 12.955 0.352 1.00 43.13 C ATOM 669 C GLN A 42 1.708 13.623 0.057 1.00 62.03 C ATOM 670 O GLN A 42 1.781 14.608 -0.682 1.00 43.55 O ATOM 671 CB GLN A 42 -0.198 13.423 1.721 1.00 25.01 C ATOM 672 CG GLN A 42 -0.563 14.930 1.789 1.00 34.30 C ATOM 673 CD GLN A 42 -1.073 15.382 3.159 1.00 64.44 C ATOM 674 OE1 GLN A 42 -0.669 14.855 4.192 1.00 63.41 O ATOM 675 NE2 GLN A 42 -1.958 16.370 3.180 1.00 42.40 N ATOM 0 H GLN A 42 0.353 11.050 1.239 1.00 41.12 H new ATOM 0 HA GLN A 42 -0.343 13.256 -0.428 1.00 43.13 H new ATOM 0 HB2 GLN A 42 -1.086 12.837 1.959 1.00 25.01 H new ATOM 0 HB3 GLN A 42 0.543 13.207 2.491 1.00 25.01 H new ATOM 0 HG2 GLN A 42 0.316 15.519 1.527 1.00 34.30 H new ATOM 0 HG3 GLN A 42 -1.325 15.144 1.040 1.00 34.30 H new ATOM 0 HE21 GLN A 42 -2.276 16.789 2.306 1.00 42.40 H new ATOM 0 HE22 GLN A 42 -2.321 16.711 4.070 1.00 42.40 H new ATOM 684 N THR A 43 2.763 13.076 0.669 1.00 5.40 N ATOM 685 CA THR A 43 4.162 13.469 0.430 1.00 20.14 C ATOM 686 C THR A 43 5.027 12.203 0.289 1.00 51.30 C ATOM 687 O THR A 43 4.524 11.074 0.420 1.00 60.13 O ATOM 688 CB THR A 43 4.727 14.375 1.584 1.00 65.10 C ATOM 689 OG1 THR A 43 4.591 13.705 2.847 1.00 52.45 O ATOM 690 CG2 THR A 43 4.029 15.751 1.658 1.00 52.21 C ATOM 0 H THR A 43 2.670 12.331 1.360 1.00 5.40 H new ATOM 0 HA THR A 43 4.195 14.054 -0.489 1.00 20.14 H new ATOM 0 HB THR A 43 5.779 14.551 1.360 1.00 65.10 H new ATOM 0 HG1 THR A 43 4.947 14.275 3.560 1.00 52.45 H new ATOM 0 HG21 THR A 43 4.459 16.334 2.472 1.00 52.21 H new ATOM 0 HG22 THR A 43 4.171 16.282 0.717 1.00 52.21 H new ATOM 0 HG23 THR A 43 2.963 15.609 1.837 1.00 52.21 H new ATOM 698 N GLU A 44 6.325 12.402 0.021 1.00 65.01 N ATOM 699 CA GLU A 44 7.301 11.308 -0.104 1.00 33.44 C ATOM 700 C GLU A 44 7.677 10.746 1.278 1.00 13.52 C ATOM 701 O GLU A 44 7.987 9.564 1.401 1.00 5.23 O ATOM 702 CB GLU A 44 8.554 11.815 -0.841 1.00 22.04 C ATOM 703 CG GLU A 44 8.248 12.394 -2.230 1.00 52.13 C ATOM 704 CD GLU A 44 9.487 12.992 -2.891 1.00 52.42 C ATOM 705 OE1 GLU A 44 9.830 14.145 -2.576 1.00 2.35 O ATOM 706 OE2 GLU A 44 10.137 12.301 -3.700 1.00 74.25 O ATOM 0 H GLU A 44 6.730 13.328 -0.116 1.00 65.01 H new ATOM 0 HA GLU A 44 6.850 10.500 -0.680 1.00 33.44 H new ATOM 0 HB2 GLU A 44 9.039 12.580 -0.235 1.00 22.04 H new ATOM 0 HB3 GLU A 44 9.263 10.994 -0.945 1.00 22.04 H new ATOM 0 HG2 GLU A 44 7.841 11.609 -2.867 1.00 52.13 H new ATOM 0 HG3 GLU A 44 7.480 13.162 -2.140 1.00 52.13 H new ATOM 713 N LYS A 45 7.652 11.613 2.305 1.00 24.55 N ATOM 714 CA LYS A 45 7.859 11.211 3.709 1.00 21.21 C ATOM 715 C LYS A 45 6.672 10.352 4.185 1.00 60.44 C ATOM 716 O LYS A 45 6.849 9.366 4.911 1.00 2.10 O ATOM 717 CB LYS A 45 8.024 12.467 4.602 1.00 72.24 C ATOM 718 CG LYS A 45 8.336 12.169 6.093 1.00 62.31 C ATOM 719 CD LYS A 45 8.407 13.439 6.976 1.00 25.41 C ATOM 720 CE LYS A 45 9.488 14.432 6.527 1.00 62.10 C ATOM 721 NZ LYS A 45 9.582 15.597 7.443 1.00 74.43 N ATOM 0 H LYS A 45 7.488 12.613 2.186 1.00 24.55 H new ATOM 0 HA LYS A 45 8.769 10.616 3.785 1.00 21.21 H new ATOM 0 HB2 LYS A 45 8.825 13.083 4.194 1.00 72.24 H new ATOM 0 HB3 LYS A 45 7.109 13.057 4.548 1.00 72.24 H new ATOM 0 HG2 LYS A 45 7.570 11.503 6.490 1.00 62.31 H new ATOM 0 HG3 LYS A 45 9.285 11.638 6.158 1.00 62.31 H new ATOM 0 HD2 LYS A 45 7.438 13.937 6.962 1.00 25.41 H new ATOM 0 HD3 LYS A 45 8.600 13.145 8.008 1.00 25.41 H new ATOM 0 HE2 LYS A 45 10.452 13.925 6.484 1.00 62.10 H new ATOM 0 HE3 LYS A 45 9.265 14.780 5.518 1.00 62.10 H new ATOM 0 HZ1 LYS A 45 10.323 16.245 7.106 1.00 74.43 H new ATOM 0 HZ2 LYS A 45 8.670 16.096 7.465 1.00 74.43 H new ATOM 0 HZ3 LYS A 45 9.819 15.268 8.400 1.00 74.43 H new ATOM 735 N GLU A 46 5.460 10.763 3.761 1.00 70.21 N ATOM 736 CA GLU A 46 4.225 9.994 3.965 1.00 4.22 C ATOM 737 C GLU A 46 4.328 8.612 3.294 1.00 73.42 C ATOM 738 O GLU A 46 3.941 7.596 3.878 1.00 63.03 O ATOM 739 CB GLU A 46 2.999 10.780 3.419 1.00 75.22 C ATOM 740 CG GLU A 46 1.640 10.294 3.963 1.00 40.33 C ATOM 741 CD GLU A 46 1.475 10.573 5.472 1.00 63.04 C ATOM 742 OE1 GLU A 46 1.924 9.754 6.304 1.00 34.32 O ATOM 743 OE2 GLU A 46 0.919 11.633 5.831 1.00 64.41 O ATOM 0 H GLU A 46 5.314 11.643 3.265 1.00 70.21 H new ATOM 0 HA GLU A 46 4.087 9.842 5.036 1.00 4.22 H new ATOM 0 HB2 GLU A 46 3.119 11.835 3.665 1.00 75.22 H new ATOM 0 HB3 GLU A 46 2.989 10.706 2.332 1.00 75.22 H new ATOM 0 HG2 GLU A 46 0.836 10.786 3.416 1.00 40.33 H new ATOM 0 HG3 GLU A 46 1.541 9.224 3.781 1.00 40.33 H new ATOM 750 N ALA A 47 4.887 8.600 2.063 1.00 73.14 N ATOM 751 CA ALA A 47 5.129 7.369 1.294 1.00 4.45 C ATOM 752 C ALA A 47 6.025 6.371 2.040 1.00 60.30 C ATOM 753 O ALA A 47 5.818 5.170 1.919 1.00 25.32 O ATOM 754 CB ALA A 47 5.738 7.697 -0.073 1.00 71.42 C ATOM 0 H ALA A 47 5.182 9.448 1.578 1.00 73.14 H new ATOM 0 HA ALA A 47 4.158 6.893 1.156 1.00 4.45 H new ATOM 0 HB1 ALA A 47 5.909 6.773 -0.626 1.00 71.42 H new ATOM 0 HB2 ALA A 47 5.053 8.334 -0.633 1.00 71.42 H new ATOM 0 HB3 ALA A 47 6.685 8.218 0.066 1.00 71.42 H new ATOM 760 N GLU A 48 7.008 6.889 2.811 1.00 22.44 N ATOM 761 CA GLU A 48 7.930 6.057 3.614 1.00 32.41 C ATOM 762 C GLU A 48 7.192 5.244 4.691 1.00 21.03 C ATOM 763 O GLU A 48 7.583 4.117 4.991 1.00 64.24 O ATOM 764 CB GLU A 48 9.009 6.942 4.289 1.00 53.02 C ATOM 765 CG GLU A 48 10.015 7.565 3.309 1.00 74.41 C ATOM 766 CD GLU A 48 10.823 6.512 2.524 1.00 32.22 C ATOM 767 OE1 GLU A 48 11.628 5.779 3.144 1.00 44.11 O ATOM 768 OE2 GLU A 48 10.669 6.419 1.290 1.00 74.44 O ATOM 0 H GLU A 48 7.183 7.890 2.893 1.00 22.44 H new ATOM 0 HA GLU A 48 8.402 5.355 2.926 1.00 32.41 H new ATOM 0 HB2 GLU A 48 8.514 7.741 4.841 1.00 53.02 H new ATOM 0 HB3 GLU A 48 9.553 6.340 5.017 1.00 53.02 H new ATOM 0 HG2 GLU A 48 9.481 8.203 2.605 1.00 74.41 H new ATOM 0 HG3 GLU A 48 10.703 8.205 3.861 1.00 74.41 H new ATOM 775 N LYS A 49 6.152 5.849 5.286 1.00 12.50 N ATOM 776 CA LYS A 49 5.333 5.208 6.333 1.00 44.45 C ATOM 777 C LYS A 49 4.354 4.196 5.695 1.00 32.33 C ATOM 778 O LYS A 49 4.187 3.070 6.176 1.00 55.22 O ATOM 779 CB LYS A 49 4.535 6.280 7.107 1.00 64.13 C ATOM 780 CG LYS A 49 5.383 7.342 7.825 1.00 15.34 C ATOM 781 CD LYS A 49 4.514 8.362 8.589 1.00 43.41 C ATOM 782 CE LYS A 49 3.625 7.724 9.671 1.00 45.20 C ATOM 783 NZ LYS A 49 4.422 7.005 10.706 1.00 51.24 N ATOM 0 H LYS A 49 5.853 6.797 5.056 1.00 12.50 H new ATOM 0 HA LYS A 49 5.994 4.682 7.022 1.00 44.45 H new ATOM 0 HB2 LYS A 49 3.866 6.784 6.410 1.00 64.13 H new ATOM 0 HB3 LYS A 49 3.908 5.780 7.845 1.00 64.13 H new ATOM 0 HG2 LYS A 49 6.062 6.852 8.522 1.00 15.34 H new ATOM 0 HG3 LYS A 49 5.999 7.867 7.095 1.00 15.34 H new ATOM 0 HD2 LYS A 49 5.163 9.104 9.054 1.00 43.41 H new ATOM 0 HD3 LYS A 49 3.882 8.893 7.878 1.00 43.41 H new ATOM 0 HE2 LYS A 49 3.026 8.499 10.150 1.00 45.20 H new ATOM 0 HE3 LYS A 49 2.929 7.028 9.203 1.00 45.20 H new ATOM 0 HZ1 LYS A 49 3.785 6.635 11.440 1.00 51.24 H new ATOM 0 HZ2 LYS A 49 4.935 6.216 10.263 1.00 51.24 H new ATOM 0 HZ3 LYS A 49 5.103 7.662 11.138 1.00 51.24 H new ATOM 797 N MET A 50 3.667 4.683 4.647 1.00 11.42 N ATOM 798 CA MET A 50 2.688 3.901 3.871 1.00 51.22 C ATOM 799 C MET A 50 3.301 2.578 3.358 1.00 2.33 C ATOM 800 O MET A 50 2.774 1.497 3.662 1.00 53.42 O ATOM 801 CB MET A 50 2.075 4.758 2.726 1.00 33.14 C ATOM 802 CG MET A 50 1.123 5.861 3.213 1.00 73.04 C ATOM 803 SD MET A 50 0.330 6.733 1.848 1.00 3.43 S ATOM 804 CE MET A 50 -0.834 7.775 2.724 1.00 61.22 C ATOM 0 H MET A 50 3.777 5.640 4.311 1.00 11.42 H new ATOM 0 HA MET A 50 1.869 3.624 4.535 1.00 51.22 H new ATOM 0 HB2 MET A 50 2.883 5.216 2.156 1.00 33.14 H new ATOM 0 HB3 MET A 50 1.535 4.101 2.044 1.00 33.14 H new ATOM 0 HG2 MET A 50 0.358 5.421 3.853 1.00 73.04 H new ATOM 0 HG3 MET A 50 1.678 6.574 3.823 1.00 73.04 H new ATOM 0 HE1 MET A 50 -1.121 8.613 2.089 1.00 61.22 H new ATOM 0 HE2 MET A 50 -1.720 7.194 2.981 1.00 61.22 H new ATOM 0 HE3 MET A 50 -0.370 8.152 3.635 1.00 61.22 H new ATOM 814 N GLU A 51 4.414 2.674 2.593 1.00 65.22 N ATOM 815 CA GLU A 51 5.144 1.487 2.084 1.00 11.43 C ATOM 816 C GLU A 51 5.646 0.586 3.239 1.00 13.33 C ATOM 817 O GLU A 51 5.761 -0.618 3.067 1.00 53.54 O ATOM 818 CB GLU A 51 6.358 1.895 1.195 1.00 40.45 C ATOM 819 CG GLU A 51 7.526 2.553 1.958 1.00 15.42 C ATOM 820 CD GLU A 51 8.815 2.721 1.149 1.00 3.31 C ATOM 821 OE1 GLU A 51 8.775 3.366 0.098 1.00 45.44 O ATOM 822 OE2 GLU A 51 9.879 2.199 1.559 1.00 3.31 O ATOM 0 H GLU A 51 4.827 3.564 2.314 1.00 65.22 H new ATOM 0 HA GLU A 51 4.431 0.927 1.479 1.00 11.43 H new ATOM 0 HB2 GLU A 51 6.731 1.007 0.684 1.00 40.45 H new ATOM 0 HB3 GLU A 51 6.011 2.584 0.425 1.00 40.45 H new ATOM 0 HG2 GLU A 51 7.204 3.534 2.308 1.00 15.42 H new ATOM 0 HG3 GLU A 51 7.745 1.955 2.842 1.00 15.42 H new ATOM 829 N LYS A 52 5.943 1.204 4.401 1.00 22.34 N ATOM 830 CA LYS A 52 6.500 0.505 5.570 1.00 60.14 C ATOM 831 C LYS A 52 5.448 -0.439 6.159 1.00 32.21 C ATOM 832 O LYS A 52 5.735 -1.604 6.426 1.00 23.33 O ATOM 833 CB LYS A 52 6.972 1.533 6.623 1.00 60.34 C ATOM 834 CG LYS A 52 7.841 0.967 7.764 1.00 31.40 C ATOM 835 CD LYS A 52 8.334 2.058 8.745 1.00 5.30 C ATOM 836 CE LYS A 52 9.013 3.257 8.049 1.00 52.32 C ATOM 837 NZ LYS A 52 10.159 2.866 7.183 1.00 25.24 N ATOM 0 H LYS A 52 5.802 2.203 4.552 1.00 22.34 H new ATOM 0 HA LYS A 52 7.361 -0.088 5.262 1.00 60.14 H new ATOM 0 HB2 LYS A 52 7.536 2.315 6.114 1.00 60.34 H new ATOM 0 HB3 LYS A 52 6.094 2.007 7.061 1.00 60.34 H new ATOM 0 HG2 LYS A 52 7.267 0.222 8.316 1.00 31.40 H new ATOM 0 HG3 LYS A 52 8.702 0.453 7.337 1.00 31.40 H new ATOM 0 HD2 LYS A 52 7.487 2.420 9.328 1.00 5.30 H new ATOM 0 HD3 LYS A 52 9.037 1.611 9.448 1.00 5.30 H new ATOM 0 HE2 LYS A 52 8.274 3.783 7.445 1.00 52.32 H new ATOM 0 HE3 LYS A 52 9.363 3.958 8.807 1.00 52.32 H new ATOM 0 HZ1 LYS A 52 10.570 3.716 6.746 1.00 25.24 H new ATOM 0 HZ2 LYS A 52 10.882 2.389 7.758 1.00 25.24 H new ATOM 0 HZ3 LYS A 52 9.827 2.220 6.439 1.00 25.24 H new ATOM 851 N ALA A 53 4.207 0.076 6.279 1.00 62.50 N ATOM 852 CA ALA A 53 3.059 -0.673 6.814 1.00 44.20 C ATOM 853 C ALA A 53 2.705 -1.852 5.887 1.00 63.00 C ATOM 854 O ALA A 53 2.327 -2.935 6.358 1.00 45.04 O ATOM 855 CB ALA A 53 1.862 0.271 7.005 1.00 71.22 C ATOM 0 H ALA A 53 3.975 1.031 6.004 1.00 62.50 H new ATOM 0 HA ALA A 53 3.324 -1.088 7.787 1.00 44.20 H new ATOM 0 HB1 ALA A 53 1.016 -0.290 7.401 1.00 71.22 H new ATOM 0 HB2 ALA A 53 2.131 1.063 7.704 1.00 71.22 H new ATOM 0 HB3 ALA A 53 1.589 0.711 6.046 1.00 71.22 H new ATOM 861 N VAL A 54 2.829 -1.612 4.568 1.00 15.44 N ATOM 862 CA VAL A 54 2.745 -2.654 3.532 1.00 0.44 C ATOM 863 C VAL A 54 3.788 -3.778 3.775 1.00 13.03 C ATOM 864 O VAL A 54 3.440 -4.958 3.812 1.00 24.30 O ATOM 865 CB VAL A 54 2.966 -2.013 2.105 1.00 42.44 C ATOM 866 CG1 VAL A 54 3.101 -3.076 0.996 1.00 73.44 C ATOM 867 CG2 VAL A 54 1.847 -0.998 1.767 1.00 43.54 C ATOM 0 H VAL A 54 2.992 -0.679 4.190 1.00 15.44 H new ATOM 0 HA VAL A 54 1.751 -3.100 3.581 1.00 0.44 H new ATOM 0 HB VAL A 54 3.914 -1.476 2.147 1.00 42.44 H new ATOM 0 HG11 VAL A 54 3.251 -2.583 0.036 1.00 73.44 H new ATOM 0 HG12 VAL A 54 3.954 -3.720 1.211 1.00 73.44 H new ATOM 0 HG13 VAL A 54 2.193 -3.678 0.957 1.00 73.44 H new ATOM 0 HG21 VAL A 54 2.027 -0.574 0.779 1.00 43.54 H new ATOM 0 HG22 VAL A 54 0.882 -1.505 1.774 1.00 43.54 H new ATOM 0 HG23 VAL A 54 1.843 -0.200 2.509 1.00 43.54 H new ATOM 877 N LYS A 55 5.067 -3.377 3.913 1.00 51.25 N ATOM 878 CA LYS A 55 6.208 -4.298 4.129 1.00 31.35 C ATOM 879 C LYS A 55 6.068 -5.125 5.427 1.00 11.01 C ATOM 880 O LYS A 55 6.643 -6.211 5.532 1.00 32.14 O ATOM 881 CB LYS A 55 7.549 -3.499 4.091 1.00 11.35 C ATOM 882 CG LYS A 55 7.849 -2.886 2.701 1.00 4.14 C ATOM 883 CD LYS A 55 9.101 -1.968 2.688 1.00 53.25 C ATOM 884 CE LYS A 55 9.350 -1.324 1.306 1.00 44.43 C ATOM 885 NZ LYS A 55 10.609 -0.519 1.244 1.00 73.44 N ATOM 0 H LYS A 55 5.343 -2.396 3.878 1.00 51.25 H new ATOM 0 HA LYS A 55 6.210 -5.024 3.316 1.00 31.35 H new ATOM 0 HB2 LYS A 55 7.512 -2.702 4.833 1.00 11.35 H new ATOM 0 HB3 LYS A 55 8.368 -4.160 4.375 1.00 11.35 H new ATOM 0 HG2 LYS A 55 7.991 -3.691 1.980 1.00 4.14 H new ATOM 0 HG3 LYS A 55 6.983 -2.312 2.371 1.00 4.14 H new ATOM 0 HD2 LYS A 55 8.979 -1.183 3.434 1.00 53.25 H new ATOM 0 HD3 LYS A 55 9.977 -2.549 2.977 1.00 53.25 H new ATOM 0 HE2 LYS A 55 9.391 -2.108 0.550 1.00 44.43 H new ATOM 0 HE3 LYS A 55 8.505 -0.683 1.054 1.00 44.43 H new ATOM 0 HZ1 LYS A 55 11.070 -0.665 0.323 1.00 73.44 H new ATOM 0 HZ2 LYS A 55 10.383 0.489 1.362 1.00 73.44 H new ATOM 0 HZ3 LYS A 55 11.252 -0.820 2.004 1.00 73.44 H new ATOM 899 N LYS A 56 5.274 -4.620 6.396 1.00 64.54 N ATOM 900 CA LYS A 56 4.971 -5.357 7.647 1.00 21.42 C ATOM 901 C LYS A 56 3.971 -6.518 7.391 1.00 42.14 C ATOM 902 O LYS A 56 3.884 -7.453 8.194 1.00 31.41 O ATOM 903 CB LYS A 56 4.421 -4.398 8.745 1.00 55.23 C ATOM 904 CG LYS A 56 5.348 -3.210 9.101 1.00 40.52 C ATOM 905 CD LYS A 56 6.778 -3.646 9.515 1.00 34.12 C ATOM 906 CE LYS A 56 7.697 -2.458 9.845 1.00 15.23 C ATOM 907 NZ LYS A 56 9.056 -2.908 10.256 1.00 53.45 N ATOM 0 H LYS A 56 4.830 -3.704 6.338 1.00 64.54 H new ATOM 0 HA LYS A 56 5.906 -5.788 8.005 1.00 21.42 H new ATOM 0 HB2 LYS A 56 3.461 -4.003 8.413 1.00 55.23 H new ATOM 0 HB3 LYS A 56 4.233 -4.976 9.650 1.00 55.23 H new ATOM 0 HG2 LYS A 56 5.414 -2.541 8.243 1.00 40.52 H new ATOM 0 HG3 LYS A 56 4.900 -2.641 9.915 1.00 40.52 H new ATOM 0 HD2 LYS A 56 6.715 -4.301 10.384 1.00 34.12 H new ATOM 0 HD3 LYS A 56 7.222 -4.228 8.708 1.00 34.12 H new ATOM 0 HE2 LYS A 56 7.777 -1.808 8.974 1.00 15.23 H new ATOM 0 HE3 LYS A 56 7.253 -1.866 10.645 1.00 15.23 H new ATOM 0 HZ1 LYS A 56 9.646 -2.079 10.470 1.00 53.45 H new ATOM 0 HZ2 LYS A 56 8.982 -3.508 11.102 1.00 53.45 H new ATOM 0 HZ3 LYS A 56 9.490 -3.452 9.483 1.00 53.45 H new ATOM 921 N VAL A 57 3.198 -6.425 6.288 1.00 54.23 N ATOM 922 CA VAL A 57 2.278 -7.494 5.815 1.00 4.01 C ATOM 923 C VAL A 57 3.009 -8.454 4.834 1.00 14.22 C ATOM 924 O VAL A 57 2.720 -9.659 4.786 1.00 72.15 O ATOM 925 CB VAL A 57 1.017 -6.868 5.089 1.00 73.33 C ATOM 926 CG1 VAL A 57 0.040 -7.952 4.573 1.00 34.35 C ATOM 927 CG2 VAL A 57 0.281 -5.861 6.005 1.00 23.45 C ATOM 0 H VAL A 57 3.192 -5.598 5.691 1.00 54.23 H new ATOM 0 HA VAL A 57 1.947 -8.056 6.688 1.00 4.01 H new ATOM 0 HB VAL A 57 1.394 -6.329 4.220 1.00 73.33 H new ATOM 0 HG11 VAL A 57 -0.808 -7.474 4.083 1.00 34.35 H new ATOM 0 HG12 VAL A 57 0.555 -8.596 3.860 1.00 34.35 H new ATOM 0 HG13 VAL A 57 -0.316 -8.550 5.412 1.00 34.35 H new ATOM 0 HG21 VAL A 57 -0.579 -5.450 5.477 1.00 23.45 H new ATOM 0 HG22 VAL A 57 -0.057 -6.370 6.908 1.00 23.45 H new ATOM 0 HG23 VAL A 57 0.960 -5.053 6.277 1.00 23.45 H new ATOM 937 N LYS A 58 3.993 -7.908 4.092 1.00 0.34 N ATOM 938 CA LYS A 58 4.683 -8.625 2.998 1.00 73.30 C ATOM 939 C LYS A 58 6.168 -8.166 2.911 1.00 22.21 C ATOM 940 O LYS A 58 6.450 -7.100 2.360 1.00 55.20 O ATOM 941 CB LYS A 58 3.915 -8.440 1.635 1.00 54.44 C ATOM 942 CG LYS A 58 3.475 -6.985 1.304 1.00 40.13 C ATOM 943 CD LYS A 58 2.554 -6.849 0.053 1.00 41.03 C ATOM 944 CE LYS A 58 3.267 -7.037 -1.307 1.00 0.02 C ATOM 945 NZ LYS A 58 3.558 -8.455 -1.646 1.00 11.34 N ATOM 0 H LYS A 58 4.333 -6.957 4.234 1.00 0.34 H new ATOM 0 HA LYS A 58 4.683 -9.693 3.214 1.00 73.30 H new ATOM 0 HB2 LYS A 58 4.552 -8.800 0.828 1.00 54.44 H new ATOM 0 HB3 LYS A 58 3.029 -9.074 1.649 1.00 54.44 H new ATOM 0 HG2 LYS A 58 2.954 -6.573 2.168 1.00 40.13 H new ATOM 0 HG3 LYS A 58 4.366 -6.377 1.149 1.00 40.13 H new ATOM 0 HD2 LYS A 58 1.751 -7.582 0.130 1.00 41.03 H new ATOM 0 HD3 LYS A 58 2.088 -5.864 0.069 1.00 41.03 H new ATOM 0 HE2 LYS A 58 2.647 -6.606 -2.093 1.00 0.02 H new ATOM 0 HE3 LYS A 58 4.202 -6.477 -1.296 1.00 0.02 H new ATOM 0 HZ1 LYS A 58 4.536 -8.536 -1.990 1.00 11.34 H new ATOM 0 HZ2 LYS A 58 3.439 -9.046 -0.798 1.00 11.34 H new ATOM 0 HZ3 LYS A 58 2.903 -8.776 -2.387 1.00 11.34 H new ATOM 959 N PRO A 59 7.140 -8.958 3.500 1.00 34.13 N ATOM 960 CA PRO A 59 8.612 -8.663 3.415 1.00 62.31 C ATOM 961 C PRO A 59 9.143 -8.532 1.967 1.00 34.43 C ATOM 962 O PRO A 59 10.061 -7.745 1.697 1.00 54.32 O ATOM 963 CB PRO A 59 9.265 -9.875 4.131 1.00 33.54 C ATOM 964 CG PRO A 59 8.204 -10.369 5.073 1.00 62.42 C ATOM 965 CD PRO A 59 6.888 -10.161 4.348 1.00 54.21 C ATOM 0 HA PRO A 59 8.844 -7.698 3.866 1.00 62.31 H new ATOM 0 HB2 PRO A 59 9.555 -10.648 3.419 1.00 33.54 H new ATOM 0 HB3 PRO A 59 10.167 -9.581 4.668 1.00 33.54 H new ATOM 0 HG2 PRO A 59 8.355 -11.420 5.317 1.00 62.42 H new ATOM 0 HG3 PRO A 59 8.226 -9.817 6.013 1.00 62.42 H new ATOM 0 HD2 PRO A 59 6.622 -11.028 3.744 1.00 54.21 H new ATOM 0 HD3 PRO A 59 6.068 -9.995 5.046 1.00 54.21 H new ATOM 973 N ASN A 60 8.549 -9.310 1.048 1.00 51.20 N ATOM 974 CA ASN A 60 8.946 -9.347 -0.378 1.00 64.23 C ATOM 975 C ASN A 60 8.186 -8.285 -1.210 1.00 23.40 C ATOM 976 O ASN A 60 8.098 -8.409 -2.439 1.00 62.41 O ATOM 977 CB ASN A 60 8.703 -10.762 -0.965 1.00 23.14 C ATOM 978 CG ASN A 60 9.577 -11.845 -0.331 1.00 14.31 C ATOM 979 OD1 ASN A 60 9.782 -11.879 0.885 1.00 52.11 O ATOM 980 ND2 ASN A 60 10.161 -12.695 -1.154 1.00 22.53 N ATOM 0 H ASN A 60 7.775 -9.936 1.270 1.00 51.20 H new ATOM 0 HA ASN A 60 10.009 -9.113 -0.433 1.00 64.23 H new ATOM 0 HB2 ASN A 60 7.654 -11.027 -0.830 1.00 23.14 H new ATOM 0 HB3 ASN A 60 8.890 -10.738 -2.039 1.00 23.14 H new ATOM 0 HD21 ASN A 60 10.799 -13.402 -0.789 1.00 22.53 H new ATOM 0 HD22 ASN A 60 9.974 -12.645 -2.156 1.00 22.53 H new ATOM 987 N ALA A 61 7.653 -7.240 -0.534 1.00 54.43 N ATOM 988 CA ALA A 61 6.875 -6.167 -1.181 1.00 21.22 C ATOM 989 C ALA A 61 7.655 -5.470 -2.311 1.00 41.23 C ATOM 990 O ALA A 61 8.658 -4.804 -2.057 1.00 64.34 O ATOM 991 CB ALA A 61 6.436 -5.126 -0.131 1.00 41.34 C ATOM 0 H ALA A 61 7.752 -7.121 0.474 1.00 54.43 H new ATOM 0 HA ALA A 61 5.999 -6.634 -1.632 1.00 21.22 H new ATOM 0 HB1 ALA A 61 5.862 -4.338 -0.618 1.00 41.34 H new ATOM 0 HB2 ALA A 61 5.818 -5.610 0.625 1.00 41.34 H new ATOM 0 HB3 ALA A 61 7.317 -4.693 0.343 1.00 41.34 H new ATOM 997 N THR A 62 7.186 -5.640 -3.551 1.00 32.20 N ATOM 998 CA THR A 62 7.685 -4.880 -4.691 1.00 41.55 C ATOM 999 C THR A 62 6.820 -3.615 -4.826 1.00 34.01 C ATOM 1000 O THR A 62 5.691 -3.666 -5.323 1.00 33.35 O ATOM 1001 CB THR A 62 7.633 -5.737 -5.995 1.00 53.15 C ATOM 1002 OG1 THR A 62 8.368 -6.958 -5.803 1.00 32.24 O ATOM 1003 CG2 THR A 62 8.198 -4.986 -7.214 1.00 14.02 C ATOM 0 H THR A 62 6.452 -6.307 -3.788 1.00 32.20 H new ATOM 0 HA THR A 62 8.728 -4.604 -4.534 1.00 41.55 H new ATOM 0 HB THR A 62 6.584 -5.953 -6.198 1.00 53.15 H new ATOM 0 HG1 THR A 62 8.332 -7.494 -6.623 1.00 32.24 H new ATOM 0 HG21 THR A 62 8.139 -5.625 -8.095 1.00 14.02 H new ATOM 0 HG22 THR A 62 7.617 -4.079 -7.384 1.00 14.02 H new ATOM 0 HG23 THR A 62 9.239 -4.721 -7.028 1.00 14.02 H new ATOM 1011 N ILE A 63 7.356 -2.487 -4.339 1.00 42.15 N ATOM 1012 CA ILE A 63 6.657 -1.194 -4.301 1.00 54.15 C ATOM 1013 C ILE A 63 7.327 -0.250 -5.303 1.00 14.23 C ATOM 1014 O ILE A 63 8.540 -0.029 -5.238 1.00 65.01 O ATOM 1015 CB ILE A 63 6.663 -0.601 -2.836 1.00 52.55 C ATOM 1016 CG1 ILE A 63 5.938 -1.599 -1.875 1.00 71.32 C ATOM 1017 CG2 ILE A 63 6.006 0.804 -2.781 1.00 3.11 C ATOM 1018 CD1 ILE A 63 6.064 -1.296 -0.404 1.00 62.32 C ATOM 0 H ILE A 63 8.300 -2.446 -3.955 1.00 42.15 H new ATOM 0 HA ILE A 63 5.612 -1.322 -4.582 1.00 54.15 H new ATOM 0 HB ILE A 63 7.697 -0.475 -2.515 1.00 52.55 H new ATOM 0 HG12 ILE A 63 4.879 -1.620 -2.134 1.00 71.32 H new ATOM 0 HG13 ILE A 63 6.330 -2.600 -2.056 1.00 71.32 H new ATOM 0 HG21 ILE A 63 6.030 1.177 -1.757 1.00 3.11 H new ATOM 0 HG22 ILE A 63 6.554 1.488 -3.429 1.00 3.11 H new ATOM 0 HG23 ILE A 63 4.972 0.735 -3.118 1.00 3.11 H new ATOM 0 HD11 ILE A 63 5.525 -2.049 0.170 1.00 62.32 H new ATOM 0 HD12 ILE A 63 7.116 -1.307 -0.119 1.00 62.32 H new ATOM 0 HD13 ILE A 63 5.642 -0.312 -0.198 1.00 62.32 H new ATOM 1030 N ARG A 64 6.520 0.284 -6.234 1.00 4.21 N ATOM 1031 CA ARG A 64 6.980 1.114 -7.353 1.00 21.24 C ATOM 1032 C ARG A 64 6.483 2.538 -7.101 1.00 12.32 C ATOM 1033 O ARG A 64 5.283 2.754 -6.935 1.00 72.34 O ATOM 1034 CB ARG A 64 6.458 0.556 -8.708 1.00 34.21 C ATOM 1035 CG ARG A 64 6.857 -0.914 -8.968 1.00 62.44 C ATOM 1036 CD ARG A 64 6.520 -1.386 -10.393 1.00 4.13 C ATOM 1037 NE ARG A 64 7.309 -0.666 -11.411 1.00 31.53 N ATOM 1038 CZ ARG A 64 7.382 -0.974 -12.720 1.00 12.52 C ATOM 1039 NH1 ARG A 64 6.713 -2.010 -13.231 1.00 2.11 N ATOM 1040 NH2 ARG A 64 8.165 -0.253 -13.512 1.00 12.41 N ATOM 0 H ARG A 64 5.509 0.146 -6.227 1.00 4.21 H new ATOM 0 HA ARG A 64 8.068 1.106 -7.416 1.00 21.24 H new ATOM 0 HB2 ARG A 64 5.371 0.638 -8.730 1.00 34.21 H new ATOM 0 HB3 ARG A 64 6.841 1.176 -9.518 1.00 34.21 H new ATOM 0 HG2 ARG A 64 7.927 -1.030 -8.797 1.00 62.44 H new ATOM 0 HG3 ARG A 64 6.348 -1.555 -8.249 1.00 62.44 H new ATOM 0 HD2 ARG A 64 6.710 -2.456 -10.476 1.00 4.13 H new ATOM 0 HD3 ARG A 64 5.457 -1.236 -10.584 1.00 4.13 H new ATOM 0 HE ARG A 64 7.849 0.139 -11.094 1.00 31.53 H new ATOM 0 HH11 ARG A 64 6.130 -2.589 -12.626 1.00 2.11 H new ATOM 0 HH12 ARG A 64 6.785 -2.223 -14.226 1.00 2.11 H new ATOM 0 HH21 ARG A 64 8.703 0.524 -13.128 1.00 12.41 H new ATOM 0 HH22 ARG A 64 8.229 -0.476 -14.505 1.00 12.41 H new ATOM 1054 N LYS A 65 7.412 3.496 -7.054 1.00 73.44 N ATOM 1055 CA LYS A 65 7.144 4.857 -6.559 1.00 21.11 C ATOM 1056 C LYS A 65 7.423 5.909 -7.639 1.00 12.20 C ATOM 1057 O LYS A 65 8.475 5.881 -8.285 1.00 3.25 O ATOM 1058 CB LYS A 65 8.037 5.134 -5.323 1.00 12.15 C ATOM 1059 CG LYS A 65 7.935 4.066 -4.212 1.00 50.23 C ATOM 1060 CD LYS A 65 8.947 4.285 -3.073 1.00 54.22 C ATOM 1061 CE LYS A 65 8.773 5.633 -2.356 1.00 1.10 C ATOM 1062 NZ LYS A 65 9.752 5.784 -1.250 1.00 22.21 N ATOM 0 H LYS A 65 8.375 3.354 -7.358 1.00 73.44 H new ATOM 0 HA LYS A 65 6.091 4.923 -6.287 1.00 21.11 H new ATOM 0 HB2 LYS A 65 9.075 5.205 -5.648 1.00 12.15 H new ATOM 0 HB3 LYS A 65 7.767 6.104 -4.904 1.00 12.15 H new ATOM 0 HG2 LYS A 65 6.926 4.073 -3.800 1.00 50.23 H new ATOM 0 HG3 LYS A 65 8.095 3.080 -4.648 1.00 50.23 H new ATOM 0 HD2 LYS A 65 8.845 3.479 -2.346 1.00 54.22 H new ATOM 0 HD3 LYS A 65 9.957 4.224 -3.477 1.00 54.22 H new ATOM 0 HE2 LYS A 65 8.899 6.447 -3.070 1.00 1.10 H new ATOM 0 HE3 LYS A 65 7.760 5.710 -1.961 1.00 1.10 H new ATOM 0 HZ1 LYS A 65 9.600 6.696 -0.774 1.00 22.21 H new ATOM 0 HZ2 LYS A 65 9.625 5.011 -0.566 1.00 22.21 H new ATOM 0 HZ3 LYS A 65 10.718 5.752 -1.634 1.00 22.21 H new ATOM 1076 N THR A 66 6.473 6.830 -7.825 1.00 21.14 N ATOM 1077 CA THR A 66 6.661 8.032 -8.643 1.00 31.25 C ATOM 1078 C THR A 66 6.141 9.220 -7.827 1.00 24.11 C ATOM 1079 O THR A 66 4.970 9.255 -7.498 1.00 1.23 O ATOM 1080 CB THR A 66 5.887 7.923 -10.008 1.00 42.15 C ATOM 1081 OG1 THR A 66 6.298 6.734 -10.706 1.00 22.12 O ATOM 1082 CG2 THR A 66 6.125 9.154 -10.907 1.00 14.35 C ATOM 0 H THR A 66 5.544 6.762 -7.409 1.00 21.14 H new ATOM 0 HA THR A 66 7.716 8.157 -8.888 1.00 31.25 H new ATOM 0 HB THR A 66 4.822 7.876 -9.779 1.00 42.15 H new ATOM 0 HG1 THR A 66 5.813 6.669 -11.555 1.00 22.12 H new ATOM 0 HG21 THR A 66 5.572 9.036 -11.839 1.00 14.35 H new ATOM 0 HG22 THR A 66 5.783 10.052 -10.393 1.00 14.35 H new ATOM 0 HG23 THR A 66 7.189 9.245 -11.126 1.00 14.35 H new ATOM 1090 N GLY A 67 6.999 10.201 -7.531 1.00 44.14 N ATOM 1091 CA GLY A 67 6.611 11.328 -6.680 1.00 13.33 C ATOM 1092 C GLY A 67 7.384 12.575 -7.035 1.00 51.11 C ATOM 1093 O GLY A 67 7.042 13.254 -8.009 1.00 53.33 O ATOM 0 H GLY A 67 7.962 10.237 -7.866 1.00 44.14 H new ATOM 0 HA2 GLY A 67 5.543 11.517 -6.788 1.00 13.33 H new ATOM 0 HA3 GLY A 67 6.786 11.074 -5.635 1.00 13.33 H new ATOM 1097 N GLY A 68 8.461 12.852 -6.279 1.00 4.12 N ATOM 1098 CA GLY A 68 9.305 14.014 -6.518 1.00 1.33 C ATOM 1099 C GLY A 68 10.134 13.875 -7.783 1.00 30.21 C ATOM 1100 O GLY A 68 11.167 13.196 -7.778 1.00 71.41 O ATOM 0 H GLY A 68 8.761 12.275 -5.493 1.00 4.12 H new ATOM 0 HA2 GLY A 68 8.681 14.905 -6.592 1.00 1.33 H new ATOM 0 HA3 GLY A 68 9.969 14.160 -5.666 1.00 1.33 H new ATOM 1104 N SER A 69 9.655 14.495 -8.879 1.00 3.34 N ATOM 1105 CA SER A 69 10.377 14.559 -10.157 1.00 74.03 C ATOM 1106 C SER A 69 11.659 15.400 -10.025 1.00 34.23 C ATOM 1107 O SER A 69 11.869 16.095 -9.019 1.00 74.23 O ATOM 1108 CB SER A 69 9.439 15.129 -11.259 1.00 14.30 C ATOM 1109 OG SER A 69 8.868 16.365 -10.859 1.00 72.54 O ATOM 0 H SER A 69 8.751 14.967 -8.899 1.00 3.34 H new ATOM 0 HA SER A 69 10.680 13.552 -10.443 1.00 74.03 H new ATOM 0 HB2 SER A 69 10.001 15.267 -12.183 1.00 14.30 H new ATOM 0 HB3 SER A 69 8.647 14.412 -11.472 1.00 14.30 H new ATOM 0 HG SER A 69 8.284 16.701 -11.571 1.00 72.54 H new ATOM 1115 N LEU A 70 12.505 15.355 -11.057 1.00 73.13 N ATOM 1116 CA LEU A 70 13.805 16.055 -11.071 1.00 11.21 C ATOM 1117 C LEU A 70 13.659 17.482 -11.664 1.00 24.51 C ATOM 1118 O LEU A 70 14.634 18.070 -12.136 1.00 5.20 O ATOM 1119 CB LEU A 70 14.835 15.184 -11.851 1.00 25.24 C ATOM 1120 CG LEU A 70 15.010 13.705 -11.352 1.00 22.24 C ATOM 1121 CD1 LEU A 70 16.056 12.940 -12.194 1.00 1.11 C ATOM 1122 CD2 LEU A 70 15.361 13.663 -9.845 1.00 31.32 C ATOM 0 H LEU A 70 12.313 14.832 -11.912 1.00 73.13 H new ATOM 0 HA LEU A 70 14.171 16.188 -10.053 1.00 11.21 H new ATOM 0 HB2 LEU A 70 14.538 15.159 -12.900 1.00 25.24 H new ATOM 0 HB3 LEU A 70 15.806 15.678 -11.806 1.00 25.24 H new ATOM 0 HG LEU A 70 14.054 13.199 -11.486 1.00 22.24 H new ATOM 0 HD11 LEU A 70 16.150 11.921 -11.819 1.00 1.11 H new ATOM 0 HD12 LEU A 70 15.737 12.916 -13.236 1.00 1.11 H new ATOM 0 HD13 LEU A 70 17.020 13.443 -12.121 1.00 1.11 H new ATOM 0 HD21 LEU A 70 15.476 12.627 -9.527 1.00 31.32 H new ATOM 0 HD22 LEU A 70 16.293 14.201 -9.673 1.00 31.32 H new ATOM 0 HD23 LEU A 70 14.561 14.132 -9.272 1.00 31.32 H new ATOM 1134 N GLU A 71 12.439 18.051 -11.568 1.00 12.32 N ATOM 1135 CA GLU A 71 12.104 19.379 -12.113 1.00 22.05 C ATOM 1136 C GLU A 71 12.646 20.516 -11.224 1.00 70.31 C ATOM 1137 O GLU A 71 13.085 21.551 -11.744 1.00 72.23 O ATOM 1138 CB GLU A 71 10.565 19.517 -12.262 1.00 25.24 C ATOM 1139 CG GLU A 71 9.924 18.547 -13.271 1.00 24.01 C ATOM 1140 CD GLU A 71 10.387 18.793 -14.720 1.00 44.41 C ATOM 1141 OE1 GLU A 71 9.889 19.748 -15.355 1.00 54.41 O ATOM 1142 OE2 GLU A 71 11.241 18.040 -15.235 1.00 33.33 O ATOM 0 H GLU A 71 11.653 17.595 -11.105 1.00 12.32 H new ATOM 0 HA GLU A 71 12.578 19.465 -13.091 1.00 22.05 H new ATOM 0 HB2 GLU A 71 10.104 19.361 -11.287 1.00 25.24 H new ATOM 0 HB3 GLU A 71 10.334 20.538 -12.564 1.00 25.24 H new ATOM 0 HG2 GLU A 71 10.167 17.523 -12.987 1.00 24.01 H new ATOM 0 HG3 GLU A 71 8.839 18.643 -13.221 1.00 24.01 H new ATOM 1149 N HIS A 72 12.596 20.327 -9.881 1.00 3.40 N ATOM 1150 CA HIS A 72 13.038 21.347 -8.901 1.00 63.52 C ATOM 1151 C HIS A 72 14.575 21.503 -8.914 1.00 60.21 C ATOM 1152 O HIS A 72 15.294 20.876 -8.123 1.00 14.25 O ATOM 1153 CB HIS A 72 12.533 21.015 -7.467 1.00 4.30 C ATOM 1154 CG HIS A 72 11.050 21.156 -7.277 1.00 61.21 C ATOM 1155 ND1 HIS A 72 10.252 20.152 -6.787 1.00 41.41 N ATOM 1156 CD2 HIS A 72 10.229 22.212 -7.476 1.00 13.02 C ATOM 1157 CE1 HIS A 72 9.016 20.584 -6.698 1.00 63.04 C ATOM 1158 NE2 HIS A 72 8.975 21.828 -7.109 1.00 51.44 N ATOM 0 H HIS A 72 12.250 19.469 -9.451 1.00 3.40 H new ATOM 0 HA HIS A 72 12.596 22.298 -9.200 1.00 63.52 H new ATOM 0 HB2 HIS A 72 12.822 19.993 -7.222 1.00 4.30 H new ATOM 0 HB3 HIS A 72 13.041 21.668 -6.757 1.00 4.30 H new ATOM 0 HD2 HIS A 72 10.515 23.182 -7.856 1.00 13.02 H new ATOM 0 HE1 HIS A 72 8.172 20.010 -6.345 1.00 63.04 H new ATOM 0 HE2 HIS A 72 8.140 22.413 -7.148 1.00 51.44 H new ATOM 1167 N HIS A 73 15.060 22.324 -9.856 1.00 50.45 N ATOM 1168 CA HIS A 73 16.483 22.678 -9.980 1.00 21.31 C ATOM 1169 C HIS A 73 16.744 23.879 -9.064 1.00 74.21 C ATOM 1170 O HIS A 73 16.263 24.982 -9.344 1.00 3.20 O ATOM 1171 CB HIS A 73 16.821 23.002 -11.460 1.00 41.11 C ATOM 1172 CG HIS A 73 16.456 21.888 -12.407 1.00 15.22 C ATOM 1173 ND1 HIS A 73 15.585 22.045 -13.460 1.00 61.20 N ATOM 1174 CD2 HIS A 73 16.844 20.594 -12.437 1.00 3.44 C ATOM 1175 CE1 HIS A 73 15.455 20.895 -14.094 1.00 13.31 C ATOM 1176 NE2 HIS A 73 16.208 19.999 -13.494 1.00 13.53 N ATOM 0 H HIS A 73 14.470 22.766 -10.561 1.00 50.45 H new ATOM 0 HA HIS A 73 17.122 21.848 -9.680 1.00 21.31 H new ATOM 0 HB2 HIS A 73 16.295 23.910 -11.756 1.00 41.11 H new ATOM 0 HB3 HIS A 73 17.888 23.209 -11.546 1.00 41.11 H new ATOM 0 HD2 HIS A 73 17.530 20.117 -11.753 1.00 3.44 H new ATOM 0 HE1 HIS A 73 14.834 20.719 -14.960 1.00 13.31 H new ATOM 0 HE2 HIS A 73 16.303 19.022 -13.770 1.00 13.53 H new ATOM 1185 N HIS A 74 17.460 23.631 -7.947 1.00 63.24 N ATOM 1186 CA HIS A 74 17.620 24.594 -6.834 1.00 15.52 C ATOM 1187 C HIS A 74 18.407 25.844 -7.269 1.00 54.43 C ATOM 1188 O HIS A 74 19.639 25.894 -7.143 1.00 10.24 O ATOM 1189 CB HIS A 74 18.296 23.907 -5.617 1.00 54.52 C ATOM 1190 CG HIS A 74 17.595 22.662 -5.146 1.00 14.33 C ATOM 1191 ND1 HIS A 74 18.250 21.470 -4.950 1.00 34.54 N ATOM 1192 CD2 HIS A 74 16.296 22.429 -4.823 1.00 60.02 C ATOM 1193 CE1 HIS A 74 17.398 20.568 -4.531 1.00 3.40 C ATOM 1194 NE2 HIS A 74 16.206 21.120 -4.444 1.00 3.01 N ATOM 0 H HIS A 74 17.948 22.749 -7.790 1.00 63.24 H new ATOM 0 HA HIS A 74 16.626 24.928 -6.537 1.00 15.52 H new ATOM 0 HB2 HIS A 74 19.323 23.655 -5.880 1.00 54.52 H new ATOM 0 HB3 HIS A 74 18.344 24.618 -4.792 1.00 54.52 H new ATOM 0 HD2 HIS A 74 15.487 23.144 -4.859 1.00 60.02 H new ATOM 0 HE1 HIS A 74 17.634 19.541 -4.296 1.00 3.40 H new ATOM 0 HE2 HIS A 74 15.354 20.647 -4.143 1.00 3.01 H new ATOM 1203 N HIS A 75 17.673 26.826 -7.816 1.00 12.30 N ATOM 1204 CA HIS A 75 18.233 28.097 -8.273 1.00 64.25 C ATOM 1205 C HIS A 75 17.091 29.084 -8.536 1.00 51.53 C ATOM 1206 O HIS A 75 16.420 29.008 -9.567 1.00 24.21 O ATOM 1207 CB HIS A 75 19.101 27.901 -9.550 1.00 41.25 C ATOM 1208 CG HIS A 75 19.834 29.142 -9.988 1.00 44.31 C ATOM 1209 ND1 HIS A 75 21.010 29.563 -9.401 1.00 73.40 N ATOM 1210 CD2 HIS A 75 19.549 30.061 -10.942 1.00 34.03 C ATOM 1211 CE1 HIS A 75 21.410 30.677 -9.975 1.00 5.21 C ATOM 1212 NE2 HIS A 75 20.542 30.995 -10.908 1.00 43.10 N ATOM 0 H HIS A 75 16.665 26.754 -7.952 1.00 12.30 H new ATOM 0 HA HIS A 75 18.885 28.498 -7.497 1.00 64.25 H new ATOM 0 HB2 HIS A 75 19.827 27.109 -9.366 1.00 41.25 H new ATOM 0 HB3 HIS A 75 18.460 27.563 -10.364 1.00 41.25 H new ATOM 0 HD2 HIS A 75 18.696 30.055 -11.605 1.00 34.03 H new ATOM 0 HE1 HIS A 75 22.300 31.235 -9.722 1.00 5.21 H new ATOM 0 HE2 HIS A 75 20.601 31.814 -11.513 1.00 43.10 H new ATOM 1221 N HIS A 76 16.842 29.964 -7.562 1.00 35.13 N ATOM 1222 CA HIS A 76 15.891 31.072 -7.710 1.00 21.33 C ATOM 1223 C HIS A 76 16.585 32.249 -8.421 1.00 23.11 C ATOM 1224 O HIS A 76 17.687 32.658 -8.034 1.00 74.42 O ATOM 1225 CB HIS A 76 15.300 31.501 -6.332 1.00 4.54 C ATOM 1226 CG HIS A 76 16.318 31.911 -5.289 1.00 10.43 C ATOM 1227 ND1 HIS A 76 16.862 31.028 -4.380 1.00 34.20 N ATOM 1228 CD2 HIS A 76 16.901 33.112 -5.019 1.00 73.24 C ATOM 1229 CE1 HIS A 76 17.717 31.664 -3.610 1.00 52.02 C ATOM 1230 NE2 HIS A 76 17.759 32.922 -3.979 1.00 40.23 N ATOM 0 H HIS A 76 17.294 29.929 -6.648 1.00 35.13 H new ATOM 0 HA HIS A 76 15.051 30.740 -8.320 1.00 21.33 H new ATOM 0 HB2 HIS A 76 14.614 32.333 -6.493 1.00 4.54 H new ATOM 0 HB3 HIS A 76 14.711 30.674 -5.935 1.00 4.54 H new ATOM 0 HD2 HIS A 76 16.717 34.043 -5.535 1.00 73.24 H new ATOM 0 HE1 HIS A 76 18.290 31.224 -2.807 1.00 52.02 H new ATOM 0 HE2 HIS A 76 18.342 33.643 -3.554 1.00 40.23 H new ATOM 1239 N HIS A 77 15.959 32.757 -9.483 1.00 64.15 N ATOM 1240 CA HIS A 77 16.462 33.914 -10.239 1.00 41.14 C ATOM 1241 C HIS A 77 15.384 35.018 -10.212 1.00 11.52 C ATOM 1242 O HIS A 77 15.522 35.983 -9.434 1.00 50.44 O ATOM 1243 CB HIS A 77 16.841 33.496 -11.691 1.00 14.15 C ATOM 1244 CG HIS A 77 17.350 34.622 -12.561 1.00 2.15 C ATOM 1245 ND1 HIS A 77 16.835 34.901 -13.812 1.00 53.20 N ATOM 1246 CD2 HIS A 77 18.330 35.536 -12.359 1.00 74.41 C ATOM 1247 CE1 HIS A 77 17.473 35.930 -14.330 1.00 22.34 C ATOM 1248 NE2 HIS A 77 18.380 36.329 -13.469 1.00 63.22 N ATOM 1249 OXT HIS A 77 14.378 34.895 -10.941 1.00 36.89 O ATOM 0 H HIS A 77 15.085 32.379 -9.848 1.00 64.15 H new ATOM 0 HA HIS A 77 17.372 34.302 -9.782 1.00 41.14 H new ATOM 0 HB2 HIS A 77 17.604 32.719 -11.643 1.00 14.15 H new ATOM 0 HB3 HIS A 77 15.966 33.054 -12.167 1.00 14.15 H new ATOM 0 HD2 HIS A 77 18.955 35.621 -11.483 1.00 74.41 H new ATOM 0 HE1 HIS A 77 17.283 36.370 -15.298 1.00 22.34 H new ATOM 0 HE2 HIS A 77 19.022 37.110 -13.608 1.00 63.22 H new TER 1258 HIS A 77